*HEADER   NEUROTOXIN                              26-NOV-95   1LSI    
*TITLE    LSIII (NMR, 23 STRUCTURES)                                  
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: LSIII;                                           
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: LONG NEUROTOXIN 1 (COMPONENT LSIII)               
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: LATICAUDA SEMIFASCIATA;               
*SOURCE  3 ORGANISM_COMMON: SEA SNAKE                                 
*KEYWDS   VENOM, MULTIGENE FAMILY                                     
*EXPDTA   NMR, 23 STRUCTURES                                          
*AUTHOR   P.J.CONNOLLY,A.S.STERN,J.C.HOCH                             
*REVDAT  1   15-MAR-96 1LSI    0                                      

REMARK    REFERENCE
REMARK    CONNOLLY,P.C.,STERN,A.S.,HOCH,J.C (1995) SOLUTION STRUCTURE OF LSIII, 
REMARK    A LONG NEUROTOXIN FROM THE VENOM OF LATICAUDA SEMIFAASCIATA.  
REMARK    BIOCHEMISTRY SUBMITTED
REMARK
REMARK    DETAILS OF THE STRUCTURE DETERMINATION ARE GIVEN IN THE ABOVE REFERENCE.
REMARK
REMARK    THE STRUCTURES ARE BASED ON 497 DISTANCE CONSTRAINTS DERIVED FROM NOE
REMARK    MEASUREMENTS AND 45 ANGLE CONSTRAINTS DERIVED FROM NOE AND COUPLING
REMARK    CONSTANT MEASUREMENTS.
REMARK    STRUCTURES WERE DETERMINED USING A DYNAMICAL SIMULATED ANNEALING
REMARK    METHOD SIMILIAR TO NILGES ET AL. (NILGES,M.,CLORE,G.M.,GRONENBORN
REMARK    A.M. (1988) FEBS LETT. 229, 317-324) WITH STARTING STRUCTURES GENERATED
REMARK    BY DYNAMICAL SIMULATED ANNEALING OF A REDUCED REPRESENTATION OF
REMARK    PROTEIN STRUCTURE. (HOCH,J.C.,STERN,A.S. (1992) J.BIOMOL.NMR 2, 
REMARK    535-543)
REMARK
REMARK    NOE RESTRAINTS
REMARK
REMARK    UPPER BOUNDS FOR INTERPROTON DISTANCES WERE DERIVED FROM NOE CROSSPEAK
REMARK    VOLUMES USING THE PROGRAM CALIBA (GUNTERT,P.,BRAUN,W.,WUTRICH,K. (1991)
REMARK    J.MOL.BIOL. 317, 517-530). 0.5 ANGSTROMS WAS ADDED TO THE UPPER 
REMARK    DISTANCE BOUNDS OF METHYL GROUPS. UPPER LIMITS FOR PHE,TYR,METHYL
REMARK    AND METHYLENE PROTONS WERE ADJUSTED TO ACCOUNT FOR CENTER AVERAGING
REMARK    AS DESCRIBED IN THE LITERATURE (WUTRICH,K.,BILLETER,M.,BRAUN,W. (1983)
REMARK    J.MOL.BIOL. 169, 949-961).
REMARK
REMARK    THE UPPER AND LOWER LIMITS FOR THE INTERPROTON RESTRAINTS ARE GIVEN BY
REMARK    UPPER=I+K AND LOWER=I-J WHERE THE NUMBERS ARE IN THE ORDER I,J,K.


classification STRG

assign (resid    1  and name HT+   ) (resid    1  and name HA    )   2.60  0.40  0.40
assign (resid    1  and name HT+   ) (resid   14  and name HA    )   2.35  0.15  0.15
assign (resid    1  and name HA    ) (resid    2  and name HN    )   2.30  0.10  0.10
assign (resid    1  and name HA    ) (resid   13  and name HN    )   2.60  0.40  0.40
assign (resid    2  and name HA    ) (resid    3  and name HN    )   2.40  0.20  0.20
assign (resid    2  and name HB+   ) (resid    3  and name HN    )   2.40  0.20  2.50
assign (resid    3  and name HN    ) (resid    3  and name HB1   )   2.40  0.20  2.50
assign (resid    3  and name HN    ) (resid    3  and name HB2   )   2.45  0.25  2.50
assign (resid    3  and name HA    ) (resid    4  and name HN    )   2.55  0.35  0.85
assign (resid    3  and name HB2   ) (resid    4  and name HN    )   2.40  0.20
  2.60
assign (resid    3  and name HB1   ) (resid   12  and name HB    )   2.30  0.10  2.70
assign (resid    4  and name HN    ) (resid    4  and name HA    )   2.65  0.45  0.45
assign (resid    5  and name HN    ) (resid    5  and name HA    )   2.35  0.15  0.15
assign (resid    5  and name HA    ) (resid    5  and name HB1   )   2.45  0.25  0.25
assign (resid    5  and name HA    ) (resid    5  and name HG    )   2.50  0.30  0.30
assign (resid    5  and name HG    ) (resid    5  and name HD2+  )   2.40  0.20  0.20
assign (resid    6  and name HN    ) (resid    6  and name HA    )   2.65  0.45  0.45
assign (resid    8  and name HA    ) (resid    9  and name HN    )   2.45  0.25  0.25
assign (resid    8  and name HE1   ) (resid   37  and name HA    )   2.30  0.10  2.70
assign (resid    8  and name HE1   ) (resid   37  and name HB2   )   2.50  0.30  0.30
assign (resid   10  and name HN    ) (resid   10  and name HA    )   2.25  0.05  0.05
assign (resid   10  and name HA    ) (resid   11  and name HN    )   2.40  0.20  0.20
assign (resid   10  and name HA    ) (resid   39  and name HN    )   2.30  0.10  0.10
assign (resid   10  and name HB    ) (resid   10  and name HG2+  )   2.50  0.30  0.30
assign (resid   10  and name HB    ) (resid   11  and name HN    )   2.40  0.20  0.70
assign (resid   11  and name HN    ) (resid   11  and name HA    )   2.45  0.25  0.25
assign (resid   12  and name HN    ) (resid   12  and name HA    )   2.40  0.20  0.20
assign (resid   12  and name HA    ) (resid   12  and name HG2+  )   2.65  0.45  0.45
assign (resid   12  and name HA    ) (resid   13  and name HN    )   2.30  0.10  0.10
assign (resid   12  and name HB    ) (resid   13  and name HN    )   2.55  0.35  0.35
assign (resid   13  and name HN    ) (resid   13  and name HB2   )   2.45  0.25  0.25
assign (resid   15  and name HA    ) (resid   16  and name HN    )   2.50  0.30  0.30
assign (resid   19  and name HN    ) (resid   19  and name HB    )   2.40  0.20  0.20
assign (resid   19  and name HN    ) (resid   42  and name HN    )   2.65  0.45  0.45
assign (resid   19  and name HA    ) (resid   19  and name HG2+  )   2.95  0.75  0.75
assign (resid   19  and name HA    ) (resid   20  and name HN    )   2.20  0.00  0.00
assign (resid   19  and name HG2+  ) (resid   44  and name HA    )   3.10  0.90  0.90
assign (resid   19  and name HG2+  ) (resid   20  and name HN    )   2.65  0.45  0.45
assign (resid   20  and name HN    ) (resid   58  and name HA    )   2.60  0.40  0.40
assign (resid   20  and name HA    ) (resid   21  and name HN    )   2.30  0.10  0.10
assign (resid   21  and name HA    ) (resid   22  and name HN    )   2.30  0.10  0.10
assign (resid   22  and name HA    ) (resid   22  and name HB    )   2.55  0.35  0.35
assign (resid   22  and name HA    ) (resid   23  and name HN    )   2.35  0.15  0.15
assign (resid   22  and name HB    ) (resid   22  and name HG1+  )   2.50  0.30  0.30
assign (resid   22  and name HB    ) (resid   22  and name HG2+  )   2.30  0.10  0.10
assign (resid   23  and name HN    ) (resid   39  and name HA    )   2.55  0.35  0.35
assign (resid   23  and name HA    ) (resid   24  and name HN    )   2.40  0.20  0.20
assign (resid   23  and name HA    ) (resid   54  and name HA    )   2.55  0.35  0.35
assign (resid   24  and name HN    ) (resid   53  and name HN    )   2.65  0.45  0.45
assign (resid   24  and name HA    ) (resid   25  and name HN    )   2.40  0.20  0.20
assign (resid   24  and name HA    ) (resid   37  and name HA    )   2.60  0.40  0.90
assign (resid   25  and name HN    ) (resid   36  and name HN    )   3.30  1.20  1.20
assign (resid   25  and name HA    ) (resid   26  and name HN    )   3.60  1.40  1.40
assign (resid   25  and name HE1   ) (resid   25  and name HD1   )   2.45  0.25  0.25
assign (resid   25  and name HE3   ) (resid   25  and name HZ3   )   2.30  0.10  0.10
assign (resid   26  and name HA    ) (resid   27  and name HN    )   2.45  0.25  0.25
assign (resid   27  and name HN    ) (resid   27  and name HA    )   2.60  0.40  0.40
assign (resid   28  and name HN    ) (resid   29  and name HN    )   2.55  0.35  0.35
assign (resid   28  and name HA    ) (resid   28  and name HB+   )   2.55  0.35  0.35
assign (resid   28  and name HA    ) (resid   29  and name HN    )   2.65  0.45  0.45
assign (resid   29  and name HN    ) (resid   29  and name HA    )   2.65  0.45  0.45
assign (resid   29  and name HN    ) (resid   30  and name HN    )   2.20  0.00  0.00
assign (resid   29  and name HA    ) (resid   29  and name HB1   )   2.55  0.35  0.35
assign (resid   29  and name HA    ) (resid   29  and name HB2   )   2.60  0.40  0.40
assign (resid   29  and name HE1   ) (resid   29  and name HD1   )   2.50  0.30  0.30
assign (resid   29  and name HE3   ) (resid   29  and name HZ3   )   2.50  0.30  0.30
assign (resid   31  and name HN    ) (resid   31  and name HA    )   2.60  0.40  0.40
assign (resid   31  and name HA    ) (resid   32  and name HN    )   2.30  0.10  0.10
assign (resid   32  and name HA    ) (resid   33  and name HN    )   2.20  0.00  0.00
assign (resid   35  and name HN    ) (resid   35  and name HA    )   2.65  0.45  0.45
assign (resid   35  and name HA    ) (resid   36  and name HN    )   2.40  0.20  0.20
assign (resid   36  and name HN    ) (resid   36  and name HB    )   2.65  0.45  0.45
assign (resid   36  and name HA    ) (resid   37  and name HN    )   2.45  0.25  0.25
assign (resid   37  and name HA    ) (resid   37  and name HG    )   2.65  0.45  0.45
assign (resid   38  and name HA    ) (resid   39  and name HN    )   2.30  0.10  0.10
assign (resid   39  and name HN    ) (resid   39  and name HA    )   2.50  0.30  0.30
assign (resid   39  and name HA    ) (resid   40  and name HN    )   2.45  0.25  0.25
assign (resid   41  and name HN    ) (resid   41  and name HB2   )   2.45  0.25  0.25
assign (resid   41  and name HA    ) (resid   42  and name HN    )   2.35  0.15  0.15
assign (resid   41  and name HB1   ) (resid   42  and name HN    )   2.60  0.40  0.90
assign (resid   42  and name HN    ) (resid   42  and name HA    )   2.60  0.40  0.40
assign (resid   42  and name HA    ) (resid   42  and name HB+   )   2.40  0.20  0.70
assign (resid   42  and name HA    ) (resid   43  and name HN    )   2.35  0.15  0.15
assign (resid   43  and name HN    ) (resid   43  and name HA    )   2.55  0.35  0.35
assign (resid   43  and name HN    ) (resid   43  and name HB+   )   2.30  0.10  0.60
assign (resid   43  and name HN    ) (resid   44  and name HN    )   2.45  0.25  0.25
assign (resid   44  and name HN    ) (resid   44  and name HA    )   2.60  0.40  0.40
assign (resid   44  and name HA    ) (resid   45  and name HN    )   2.30  0.10  0.10
assign (resid   45  and name HN    ) (resid   45  and name HA    )   2.30  0.10  0.10
assign (resid   45  and name HN    ) (resid   45  and name HB1   )   2.40  0.20  0.20
assign (resid   45  and name HN    ) (resid   45  and name HB2   )   2.45  0.25  0.25
assign (resid   45  and name HA    ) (resid   45  and name HB1   )   2.45  0.25  0.25
assign (resid   46  and name HA    ) (resid   46  and name HB1   )   2.55  0.35  0.35
assign (resid   47  and name HN    ) (resid   47  and name HA    )   2.65  0.45  0.45
assign (resid   48  and name HN    ) (resid   48  and name HB    )   2.40  0.20  0.20
assign (resid   48  and name HA    ) (resid   48  and name HB    )   2.45  0.25  0.25
assign (resid   48  and name HA    ) (resid   49  and name HN    )   2.40  0.20  0.20
assign (resid   49  and name HN    ) (resid   49  and name HA    )   2.45  0.25  0.25
assign (resid   49  and name HN    ) (resid   49  and name HB1   )   2.55  0.35  0.35
assign (resid   49  and name HN    ) (resid   49  and name HB2   )   2.50  0.30  0.30
assign (resid   49  and name HA    ) (resid   49  and name HB2   )   2.65  0.45  0.45
assign (resid   50  and name HN    ) (resid   50  and name HB    )   2.65  0.45  0.45
assign (resid   50  and name HB    ) (resid   50  and name HG2+  )   2.45  0.25  0.25
assign (resid   51  and name HN    ) (resid   52  and name HN    )   2.65  0.45  0.45
assign (resid   52  and name HN    ) (resid   52  and name HB    )   2.50  0.30  0.30
assign (resid   52  and name HA    ) (resid   53  and name HN    )   2.40  0.20  0.20
assign (resid   53  and name HN    ) (resid   53  and name HA    )   2.55  0.35  0.35
assign (resid   53  and name HA    ) (resid   54  and name HN    )   2.35  0.15  0.15
assign (resid   54  and name HA    ) (resid   55  and name HN    )   2.35  0.15  0.15
assign (resid   54  and name HB    ) (resid   54  and name HG2+  )   2.80  0.60  0.60
assign (resid   56  and name HN    ) (resid   56  and name HA    )   2.65  0.45  0.45
assign (resid   57  and name HN    ) (resid   57  and name HA    )   2.65  0.45  0.45
assign (resid   57  and name HA    ) (resid   58  and name HN    )   2.25  0.05  0.05
assign (resid   58  and name HA    ) (resid   59  and name HN    )   2.60  0.40  0.40
assign (resid   59  and name HA    ) (resid   59  and name HB+   )   2.40  0.20  0.20
assign (resid   60  and name HN    ) (resid   60  and name HB1   )   2.60  0.40  0.40
assign (resid   60  and name HN    ) (resid   60  and name HB2   )   2.45  0.25  0.25
assign (resid   60  and name HA    ) (resid   61  and name HN    )   2.50  0.30  0.30
assign (resid   61  and name HN    ) (resid   61  and name HA    )   2.30  0.10  0.60
assign (resid   61  and name HN    ) (resid   61  and name HB2   )   2.45  0.25  0.25
assign (resid   61  and name HA    ) (resid   61  and name HB1   )   2.60  0.40  0.40
assign (resid   61  and name HA    ) (resid   61  and name HG+   )   2.60  0.40  1.0
assign (resid   62  and name HN    ) (resid   62  and name HA    )   2.50  0.30  0.30
assign (resid   62  and name HN    ) (resid   63  and name HN    )   2.55  0.35  0.35
assign (resid   63  and name HN    ) (resid   63  and name HA    )   2.55  0.35  0.35
assign (resid   63  and name HA    ) (resid   63  and name HB1   )   2.55  0.35  0.35
assign (resid   63  and name HA    ) (resid   63  and name HB2   )   2.50  0.30  0.30
assign (resid   64  and name HN    ) (resid   64  and name HA    )   2.65  0.45  0.45
assign (resid   64  and name HA    ) (resid   64  and name HG2+  )   2.30  0.10  0.10
assign (resid   64  and name HA    ) (resid   65  and name HN    )   2.35  0.15  0.15
assign (resid   65  and name HN    ) (resid   65  and name HA    )   2.35  0.15  0.15
assign (resid   65  and name HN    ) (resid   65  and name HB2   )   2.60  0.40  0.40
assign (resid   65  and name HA    ) (resid   65  and name HB1   )   2.55  0.35  0.35

classification MED

assign (resid    1  and name HT+   ) (resid    1  and name HB+   )   3.05  0.85  0.85
assign (resid    1  and name HT+   ) (resid    1  and name HG+   )   3.15  0.95  0.95
assign (resid    1  and name HA    ) (resid    1  and name HB+   )   3.05  0.85  0.85
assign (resid    1  and name HB+   ) (resid    2  and name HN    )   3.40  1.20  1.20
assign (resid    1  and name HB+   ) (resid   12  and name HB    )   3.30  1.10  1.10
assign (resid    2  and name HN    ) (resid    2  and name HB+   )   3.20  1.00  1.00
assign (resid    2  and name HN    ) (resid   12  and name HA    )   2.70  0.50  0.50
assign (resid    2  and name HA    ) (resid    2  and name HG+   )   3.20  1.00  1.00
assign (resid    2  and name HB+   ) (resid    3  and name HN    )   3.35  1.15  1.15
assign (resid    3  and name HN    ) (resid    3  and name HA    )   2.85  0.65  0.65
assign (resid    3  and name HA    ) (resid    3  and name HB1   )   3.10  0.90  0.90
assign (resid    3  and name HA    ) (resid    3  and name HB2   )   2.80  0.60  0.60
assign (resid    3  and name HA    ) (resid   10  and name HG2+  )   3.15  0.95  0.95
assign (resid    3  and name HB1   ) (resid    4  and name HN    )   3.10  0.90  0.90
assign (resid    4  and name HN    ) (resid    4  and name HB2   )   2.80  0.60  0.60
assign (resid    4  and name HA    ) (resid    4  and name HB+   )   3.25  1.05  1.05
assign (resid    4  and name HA    ) (resid   10  and name HB    )   3.15  0.95  0.95
assign (resid    4  and name HA    ) (resid   12  and name HG2+  )   2.75  0.55  0.55
assign (resid    4  and name HB+   ) (resid    5  and name HN    )   3.40  1.20  1.20
assign (resid    4  and name HB+   ) (resid    5  and name HG    )   3.10  0.90  0.90
assign (resid    5  and name HN    ) (resid    5  and name HB1   )   2.90  0.70  0.70
assign (resid    5  and name HN    ) (resid    5  and name HG    )   2.75  0.55  0.55
assign (resid    5  and name HN    ) (resid    6  and name HN    )   2.70  0.50  0.50
assign (resid    5  and name HA    ) (resid    6  and name HN    )   3.35  1.15  1.15
assign (resid    5  and name HB1   ) (resid    5  and name HD2+  )   3.45  1.25  1.25
assign (resid    5  and name HB2   ) (resid   10  and name HG2+  )   3.45  1.25  1.25
assign (resid    6  and name HN    ) (resid    6  and name HB+   )   3.10  0.90  0.90
assign (resid    6  and name HD2+  ) (resid   38  and name HA    )   3.35  1.15  1.15
assign (resid    7  and name HA    ) (resid    7  and name HB+   )   3.10  0.90  0.90
assign (resid    7  and name HA    ) (resid    7  and name HG+   )   3.25  1.05  1.05
assign (resid    8  and name HE1   ) (resid   37  and name HB1   )   2.80  0.60  0.60
assign (resid    8  and name HE1   ) (resid   37  and name HG    )   2.90  0.70  0.70
assign (resid    9  and name HN    ) (resid    9  and name HA    )   2.80  0.60  0.60
assign (resid    9  and name HN    ) (resid    9  and name HB+   )   3.35  1.15  1.15
assign (resid   10  and name HN    ) (resid   38  and name HB+   )   3.20  1.00  1.00
assign (resid   10  and name HA    ) (resid   10  and name HB    )   2.75  0.55  0.55
assign (resid   10  and name HA    ) (resid   10  and name HG2+  )   2.80  0.60  0.60
assign (resid   11  and name HN    ) (resid   11  and name HB+   )   3.05  0.85  0.85
assign (resid   11  and name HN    ) (resid   11  and name HG+   )   2.85  0.65  1.65
assign (resid   11  and name HA    ) (resid   11  and name HB+   )   3.15  0.95  0.95
assign (resid   11  and name HG+   ) (resid   41  and name HN    )   3.35  1.15  1.15
assign (resid   13  and name HN    ) (resid   13  and name HA    )   2.70  0.50  0.50
assign (resid   13  and name HN    ) (resid   13  and name HB1   )   2.80  0.60  0.60
assign (resid   13  and name HA    ) (resid   13  and name HB2   )   2.95  0.75  0.75
assign (resid   13  and name HA    ) (resid   14  and name HD2   )   2.75  0.55  0.55
assign (resid   14  and name HA    ) (resid   14  and name HB+   )   2.90  0.70  0.70
assign (resid   14  and name HA    ) (resid   14  and name HG+   )   3.35  1.15  1.15
assign (resid   15  and name HN    ) (resid   15  and name HA    )   2.70  0.50  0.50
assign (resid   16  and name HN    ) (resid   16  and name HA+   )   2.80  0.60  0.60
assign (resid   17  and name HN    ) (resid   17  and name HB+   )   3.15  0.95  0.95
assign (resid   17  and name HN    ) (resid   17  and name HG+   )   3.10  0.90  0.90
assign (resid   17  and name HA    ) (resid   17  and name HG+   )   3.30  1.10  1.10
assign (resid   17  and name HB+   ) (resid   18  and name HN    )   3.25  1.05  1.05
assign (resid   18  and name HN    ) (resid   18  and name HA    )   2.75  0.55  0.55
assign (resid   18  and name HN    ) (resid   18  and name HG+   )   2.95  0.75  0.75
assign (resid   18  and name HA    ) (resid   18  and name HB+   )   3.25  1.05  1.05
assign (resid   18  and name HA    ) (resid   18  and name HG+   )   3.05  0.85  0.85
assign (resid   18  and name HB+   ) (resid   19  and name HN    )   3.40  1.20  1.20
assign (resid   19  and name HN    ) (resid   19  and name HA    )   2.70  0.50  0.50
assign (resid   19  and name HN    ) (resid   19  and name HG1+  )   3.25  1.05  1.05
assign (resid   19  and name HA    ) (resid   19  and name HB    )   2.70  0.50  0.50
assign (resid   19  and name HA    ) (resid   19  and name HG1+  )   3.15  0.95  0.95
assign (resid   19  and name HA    ) (resid   19  and name HD1+  )   3.25  1.05  1.05
assign (resid   19  and name HB    ) (resid   20  and name HN    )   2.75  0.55  0.55
assign (resid   19  and name HB    ) (resid   42  and name HN    )   2.80  0.60  0.60
assign (resid   19  and name HB    ) (resid   43  and name HN    )   2.85  0.65  0.65
assign (resid   19  and name HD1+  ) (resid   44  and name HA    )   2.85  0.65  0.65
assign (resid   20  and name HN    ) (resid   20  and name HB+   )   3.00  0.80  0.80
assign (resid   20  and name HA    ) (resid   20  and name HB+   )   3.10  0.90  0.90
assign (resid   20  and name HA    ) (resid   41  and name HA    )   2.85  0.65  0.65
assign (resid   21  and name HN    ) (resid   21  and name HA    )   2.70  0.50  0.50
assign (resid   21  and name HN    ) (resid   21  and name HB+   )   2.90  0.70  0.70
assign (resid   21  and name HN    ) (resid   40  and name HN    )   2.70  0.50  0.50
assign (resid   21  and name HN    ) (resid   41  and name HA    )   3.10  0.90  0.90
assign (resid   21  and name HA    ) (resid   21  and name HB+   )   3.15  0.95  0.95
assign (resid   21  and name HB+   ) (resid   22  and name HN    )   3.10  0.90  0.90
assign (resid   22  and name HN    ) (resid   22  and name HA    )   2.85  0.65  0.65
assign (resid   22  and name HN    ) (resid   22  and name HG2+  )   3.05  0.85  0.85
assign (resid   22  and name HN    ) (resid   55  and name HN    )   2.70  0.50  0.50
assign (resid   22  and name HA    ) (resid   22  and name HG1+  )   2.90  0.70  0.70
assign (resid   23  and name HN    ) (resid   23  and name HA    )   2.85  0.65  0.65
assign (resid   23  and name HN    ) (resid   23  and name HB+   )   2.95  0.75  0.75
assign (resid   24  and name HN    ) (resid   24  and name HA    )   3.00  0.80  0.80
assign (resid   24  and name HN    ) (resid   54  and name HA    )   2.95  0.75  0.75
assign (resid   24  and name HA    ) (resid   24  and name HB+   )   3.15  0.95  0.95
assign (resid   25  and name HN    ) (resid   25  and name HA    )   2.80  0.60  0.60
assign (resid   25  and name HN    ) (resid   25  and name HB+   )   3.10  0.90  0.90
assign (resid   25  and name HN    ) (resid   25  and name HZ3   )   2.90  0.70  0.70
assign (resid   25  and name HN    ) (resid   36  and name HB    )   3.45  1.25  1.25
assign (resid   25  and name HA    ) (resid   25  and name HB+   )   3.15  0.95  0.95
assign (resid   25  and name HE1   ) (resid   36  and name HB    )   3.05  0.85  0.85
assign (resid   25  and name HH2   ) (resid   25  and name HZ3   )   2.95  0.75  0.75
assign (resid   25  and name HD1   ) (resid   26  and name HN    )   3.45  1.25  1.25
assign (resid   26  and name HN    ) (resid   26  and name HB+   )   2.80  0.60  0.60
assign (resid   26  and name HA    ) (resid   35  and name HA    )   2.85  0.65  0.65
assign (resid   26  and name HB+   ) (resid   27  and name HN    )   3.35  1.15  1.15
assign (resid   26  and name HB+   ) (resid   30  and name HB+   )   3.35  1.15  1.15
assign (resid   27  and name HN    ) (resid   27  and name HB+   )   3.10  0.90  0.90
assign (resid   27  and name HN    ) (resid   30  and name HB+   )   3.40  1.20  1.20
assign (resid   27  and name HA    ) (resid   27  and name HB+   )   3.20  1.00  1.00
assign (resid   27  and name HA    ) (resid   28  and name HN    )   2.70  0.50  0.50
assign (resid   27  and name HB+   ) (resid   28  and name HN    )   3.00  0.80  0.80
assign (resid   27  and name HB+   ) (resid   28  and name HN    )   3.15  0.95  0.95
assign (resid   28  and name HN    ) (resid   28  and name HA    )   2.70  0.50  0.50
assign (resid   28  and name HN    ) (resid   28  and name HB+   )   3.05  0.85  0.85
assign (resid   28  and name HA    ) (resid   29  and name HD1   )   2.90  0.70  0.70
assign (resid   29  and name HN    ) (resid   29  and name HB1   )   3.20  1.00  1.00
assign (resid   29  and name HN    ) (resid   29  and name HB2   )   2.70  0.50  1.00
assign (resid   29  and name HA    ) (resid   29  and name HE3   )   2.95  0.75  0.75
assign (resid   29  and name HA    ) (resid   30  and name HN    )   2.85  0.65  0.65
assign (resid   29  and name HB1   ) (resid   29  and name HE3   )   2.85  0.65  0.65
assign (resid   29  and name HB2   ) (resid   29  and name HE3   )   3.10  0.90  0.90
assign (resid   29  and name HE1   ) (resid   29  and name HZ2   )   2.80  0.60  0.60
assign (resid   30  and name HN    ) (resid   30  and name HA    )   2.70  0.50  0.50
assign (resid   30  and name HN    ) (resid   30  and name HB2   )   2.80  0.60  0.60
assign (resid   30  and name HA    ) (resid   30  and name HB+   )   3.30  1.10  1.10
assign (resid   30  and name HA    ) (resid   34  and name HN    )   3.00  0.80  0.80
assign (resid   30  and name HB+   ) (resid   31  and name HN    )   3.25  1.05  1.05
assign (resid   30  and name HB+   ) (resid   33  and name HN    )   3.25  1.05  1.05
assign (resid   31  and name HN    ) (resid   31  and name HB+   )   3.05  0.85  0.85
assign (resid   31  and name HA    ) (resid   31  and name HB+   )   2.80  0.60  0.60
assign (resid   32  and name HN    ) (resid   32  and name HA    )   2.75  0.55  0.55
assign (resid   32  and name HN    ) (resid   32  and name HB+   )   3.15  0.95  0.95
assign (resid   32  and name HB+   ) (resid   33  and name HN    )   3.05  0.85  0.85
assign (resid   33  and name HN    ) (resid   33  and name HB+   )   3.20  1.00  1.00
assign (resid   33  and name HA    ) (resid   33  and name HG+   )   2.80  0.60  0.60
assign (resid   34  and name HN    ) (resid   34  and name HA+   )   3.15  0.95  0.95
assign (resid   34  and name HA+   ) (resid   35  and name HN    )   3.05  0.85  0.85
assign (resid   35  and name HN    ) (resid   35  and name HB+   )   3.20  1.00  1.00
assign (resid   35  and name HN    ) (resid   35  and name HG+   )   3.30  1.10  1.10
{assign (resid   35  and name HN    ) (resid   37  and name HB1   )   2.85  0.65  0.65}
assign (resid   35  and name HA    ) (resid   35  and name HB+   )   3.30  1.10  1.10
assign (resid   35  and name HA    ) (resid   35  and name HG+   )   2.75  0.55  0.55
assign (resid   36  and name HN    ) (resid   36  and name HA    )   2.80  0.60  0.60
assign (resid   36  and name HN    ) (resid   36  and name HG2+  )   3.35  1.15  1.15
assign (resid   36  and name HA    ) (resid   36  and name HB    )   2.95  0.75  0.75
assign (resid   36  and name HA    ) (resid   36  and name HG2+  )   3.40  1.20  1.20
assign (resid   36  and name HB    ) (resid   36  and name HG2+  )   3.15  0.95  0.95
assign (resid   36  and name HB    ) (resid   36  and name HG1+  )   2.85  0.65  0.65
assign (resid   37  and name HN    ) (resid   37  and name HB2   )   2.80  0.60  0.60
assign (resid   37  and name HN    ) (resid   37  and name HB1   )   3.00  0.80  0.80
assign (resid   37  and name HN    ) (resid   37  and name HG    )   3.20  1.00  1.00
assign (resid   37  and name HA    ) (resid   37  and name HB2   )   2.70  0.50  0.50
assign (resid   37  and name HA    ) (resid   37  and name HB1   )   2.85  0.65  0.65
assign (resid   37  and name HA    ) (resid   37  and name HD1+  )   2.95  0.75  0.75
assign (resid   37  and name HB2   ) (resid   37  and name HD2+  )   3.30  1.10  1.10
assign (resid   37  and name HB1   ) (resid   37  and name HD2+  )   2.85  0.65  0.65
assign (resid   38  and name HN    ) (resid   38  and name HA    )   2.70  0.50  0.50
assign (resid   38  and name HN    ) (resid   38  and name HG+   )   3.25  1.05  1.05
assign (resid   38  and name HA    ) (resid   38  and name HG+   )   3.40  1.20  1.20
assign (resid   39  and name HA    ) (resid   39  and name HB+   )   3.20  1.00  1.00
assign (resid   39  and name CG    ) (resid   39  and name HZ    )   3.45  1.25  1.25
assign (resid   39  and name HZ    ) (resid   62  and name HB+   )   3.20  1.00  1.00
assign (resid   40  and name HN    ) (resid   40  and name HA+   )   3.40  1.20  1.20
assign (resid   40  and name HN    ) (resid   40  and name HA1   )   3.10  0.90  0.90
assign (resid   40  and name HA+   ) (resid   41  and name HN    )   2.90  0.70  0.70
assign (resid   41  and name HN    ) (resid   41  and name HA    )   2.80  0.60  0.60
assign (resid   41  and name HN    ) (resid   41  and name HB1   )   2.70  0.50  0.50
assign (resid   41  and name HN    ) (resid   42  and name HN    )   3.25  1.05  1.05
assign (resid   41  and name HB2   ) (resid   42  and name HN    )   3.05  0.85  0.85
assign (resid   42  and name HN    ) (resid   42  and name HB+   )   3.10  0.90  0.90
assign (resid   43  and name HB+   ) (resid   44  and name HN    )   2.75  0.55  0.55
assign (resid   44  and name HN    ) (resid   44  and name HG2+  )   3.00  0.80  0.80
assign (resid   44  and name HA    ) (resid   44  and name HG2+  )   3.25  1.05  1.05
assign (resid   45  and name HA    ) (resid   45  and name HB2   )   2.85  0.65  0.65
assign (resid   45  and name HA    ) (resid   46  and name HD+   )   3.10  0.90  0.90
assign (resid   46  and name HA    ) (resid   46  and name HB+   )   2.95  0.75  0.75
assign (resid   46  and name HA    ) (resid   47  and name HN    )   2.95  0.75  0.75
assign (resid   46  and name HB+   ) (resid   54  and name HG2+  )   3.35  1.05  1.05
assign (resid   46  and name HG+   ) (resid   46  and name HD+   )   3.45  1.25  1.25
assign (resid   46  and name HD+   ) (resid   54  and name HG2+  )   3.90  1.15  1.15
assign (resid   47  and name HN    ) (resid   47  and name HB+   )   2.80  0.60  0.60
assign (resid   48  and name HN    ) (resid   48  and name HA    )   2.70  0.50  0.50
assign (resid   48  and name HA    ) (resid   48  and name HG1+  )   2.70  0.50  0.50
assign (resid   48  and name HB    ) (resid   48  and name HG1+  )   3.25  1.05  1.05
assign (resid   49  and name HA    ) (resid   49  and name HB1   )   2.75  0.55  0.55
assign (resid   50  and name HN    ) (resid   50  and name HA    )   2.75  0.55  0.55
assign (resid   50  and name HN    ) (resid   52  and name HB    )   2.85  0.65  0.65
assign (resid   51  and name HN    ) (resid   51  and name HA+   )   2.90  0.70  0.70
assign (resid   51  and name HA+   ) (resid   52  and name HN    )   3.45  1.25  1.25
assign (resid   52  and name HN    ) (resid   52  and name HA    )   2.85  0.65  0.65
assign (resid   52  and name HG2+  ) (resid   53  and name HN    )   3.25  1.05  1.05
assign (resid   53  and name HN    ) (resid   53  and name HB+   )   3.25  1.05  1.05
assign (resid   53  and name HA    ) (resid   53  and name HG+   )   3.15  0.95  0.95
assign (resid   53  and name HB+   ) (resid   54  and name HN    )   3.30  1.10  1.10
assign (resid   54  and name HN    ) (resid   54  and name HA    )   2.80  0.60  0.60
assign (resid   54  and name HN    ) (resid   54  and name HB    )   2.80  0.60  0.60
assign (resid   54  and name HN    ) (resid   54  and name HG2+  )   3.00  0.80  0.80
assign (resid   54  and name HG2+  ) (resid   55  and name HN    )   3.40  1.20  1.20
assign (resid   55  and name HN    ) (resid   55  and name HB+   )   2.80  0.60  0.60
assign (resid   55  and name HN    ) (resid   55  and name HG+   )   3.10  0.90  0.90
assign (resid   56  and name HN    ) (resid   56  and name HB+   )   2.80  0.60  0.60
assign (resid   56  and name HA    ) (resid   56  and name HB+   )   3.40  1.20  1.20
assign (resid   57  and name HA    ) (resid   59  and name HN    )   2.95  0.75  0.75
assign (resid   57  and name HB+   ) (resid   58  and name HN    )   3.25  1.05  1.05
assign (resid   58  and name HN    ) (resid   58  and name HB+   )   3.20  1.00  1.00
assign (resid   59  and name HN    ) (resid   59  and name HA    )   2.70  0.50  0.50
assign (resid   59  and name HN    ) (resid   60  and name HN    )   2.90  0.70  0.70
assign (resid   60  and name HA    ) (resid   60  and name HB1   )   2.80  0.60  0.60
assign (resid   61  and name HN    ) (resid   61  and name HG+   )   3.05  0.85  1.45
assign (resid   61  and name HA    ) (resid   61  and name HG1   )   2.85  0.65  0.65
assign (resid   62  and name HN    ) (resid   62  and name HB+   )   2.75  0.55  0.55
assign (resid   62  and name HA    ) (resid   62  and name HB+   )   3.10  0.90  0.90
assign (resid   62  and name HA    ) (resid   63  and name HN    )   3.30  1.10  1.10
assign (resid   62  and name HB+   ) (resid   63  and name HN    )   3.45  1.25  1.25
assign (resid   63  and name HN    ) (resid   63  and name HB1   )   2.95  0.75  0.75
assign (resid   63  and name HN    ) (resid   63  and name HB2   )   2.70  0.50  0.50
assign (resid   63  and name HN    ) (resid   64  and name HN    )   3.05  0.85  0.85
assign (resid   65  and name HN    ) (resid   65  and name HB1   )   2.75  0.55  0.55
assign (resid   65  and name HA    ) (resid   66  and name HD+   )   2.95  0.75  0.75
assign (resid   66  and name HG+   ) (resid   66  and name HD+   )   3.40  1.20  1.20

classification WEAK

assign (resid    1  and name HT+   ) (resid    1  and name HD+   )   3.50  1.30  1.30
assign (resid    1  and name HG+   ) (resid   12  and name HN    )   3.65  1.45  1.45
assign (resid    2  and name HA    ) (resid    2  and name HB+   )   3.55  1.35  1.35
assign (resid    2  and name HB+   ) (resid    2  and name HG+   )   3.70  1.50  1.50
assign (resid    3  and name HN    ) (resid    4  and name CG    )   3.75  1.55  1.55
assign (resid    3  and name HN    ) (resid   10  and name HG2+  )   3.85  1.65  1.65
assign (resid    3  and name HA    ) (resid    4  and name CG    )   3.85  1.65  1.65
assign (resid    3  and name HB1   ) (resid    4  and name CG    )   3.65  1.45  1.45
assign (resid    4  and name HN    ) (resid    4  and name CG    )   4.25  2.05  2.05
assign (resid    4  and name HB+   ) (resid    4  and name CG    )   4.15  1.95  1.95
assign (resid    4  and name HB+   ) (resid    4  and name CZ    )   4.60  2.40  2.40
assign (resid    4  and name CG    ) (resid    4  and name CZ    )   4.70  2.50  2.50
assign (resid    4  and name CG    ) (resid   10  and name HG2+  )   5.10  2.90  2.90
assign (resid    4  and name CZ    ) (resid   10  and name HG2+  )   5.10  2.90  2.90
assign (resid    5  and name HN    ) (resid    5  and name HB2   )   3.60  1.40  1.40
assign (resid    5  and name HN    ) (resid    5  and name HD2+  )   4.10  1.90  1.90
assign (resid    5  and name HN    ) (resid   10  and name HG2+  )   4.10  1.90  1.90
assign (resid    5  and name HA    ) (resid    5  and name HD2+  )   4.10  1.90  1.90
assign (resid    5  and name HB1   ) (resid   10  and name HG2+  )   4.10  1.90  1.90
assign (resid    5  and name HB2   ) (resid    5  and name HD2+  )   3.75  1.55  1.55
assign (resid    6  and name HD2+  ) (resid   39  and name HN    )   3.60  1.40  1.40
assign (resid    7  and name HG+   ) (resid    7  and name HD+   )   3.60  1.40  1.40
assign (resid    8  and name HE1   ) (resid   35  and name HB+   )   3.70  1.50  1.50
assign (resid    8  and name HE1   ) (resid   37  and name HD2+  )   4.10  1.90  1.90
assign (resid   10  and name HN    ) (resid   10  and name HG2+  )   3.60  1.40  1.40
assign (resid   10  and name HG2+  ) (resid   11  and name HN    )   4.10  1.90  1.90
assign (resid   10  and name HG2+  ) (resid   38  and name HB+   )   4.60  2.40  2.40
assign (resid   11  and name HB+   ) (resid   11  and name HE2+  )   4.60  2.40  2.40
assign (resid   11  and name HG+   ) (resid   11  and name HE2+  )   4.45  2.25  2.25
assign (resid   12  and name HN    ) (resid   12  and name HG2+  )   4.10  1.90  1.90
assign (resid   14  and name HB+   ) (resid   14  and name HD+   )   3.55  1.35  1.35
assign (resid   14  and name HG+   ) (resid   14  and name HD+   )   3.50  1.30  1.30
assign (resid   15  and name HN    ) (resid   15  and name HB+   )   3.75  1.55  1.55
assign (resid   17  and name HA    ) (resid   17  and name HB+   )   3.95  1.75  1.75
assign (resid   17  and name HB+   ) (resid   17  and name HG+   )   3.55  1.35  1.35
assign (resid   17  and name HB+   ) (resid   19  and name HN    )   3.60  1.40  1.40
assign (resid   17  and name HG+   ) (resid   18  and name HN    )   3.50  1.30  1.30
assign (resid   19  and name HN    ) (resid   19  and name HG2+  )   4.10  1.90  1.90
assign (resid   19  and name HN    ) (resid   19  and name HD1+  )   4.10  1.90  1.90
assign (resid   19  and name HN    ) (resid   42  and name HB+   )   4.10  1.90  1.90
assign (resid   19  and name HG2+  ) (resid   42  and name HN    )   4.10  1.90  1.90
assign (resid   19  and name HG2+  ) (resid   43  and name HN    )   4.10  1.90  1.90
assign (resid   19  and name HG1+  ) (resid   20  and name HN    )   3.85  1.65  1.65
assign (resid   19  and name HG1+  ) (resid   42  and name HN    )   3.90  1.70  1.70
assign (resid   19  and name HG1+  ) (resid   43  and name HN    )   3.55  1.35  1.35
assign (resid   19  and name HD1+  ) (resid   20  and name HN    )   4.10  1.90  1.90
assign (resid   19  and name HD1+  ) (resid   43  and name HN    )   4.10  1.90  1.90
assign (resid   20  and name HA    ) (resid   42  and name HN    )   3.60  1.40  1.40
assign (resid   21  and name HN    ) (resid   21  and name CZ    )   3.75  1.55  1.55
assign (resid   21  and name HB+   ) (resid   21  and name CZ    )   4.20  2.00  2.00
assign (resid   21  and name CG    ) (resid   22  and name HG1+  )   5.10  2.90  2.90
assign (resid   21  and name CG    ) (resid   54  and name HG2+  )   4.55  2.35  2.35
assign (resid   21  and name CG    ) (resid   55  and name HN    )   3.85  1.65  1.65
assign (resid   21  and name HD2   ) (resid   22  and name HG1+  )   4.10  1.90  1.90
assign (resid   21  and name CZ    ) (resid   22  and name HN    )   4.00  1.80  1.80
assign (resid   21  and name CZ    ) (resid   22  and name HA    )   3.95  1.75  1.75
assign (resid   21  and name CZ    ) (resid   23  and name HN    )   3.80  1.60  1.60
assign (resid   21  and name CZ    ) (resid   23  and name HB+   )   3.60  1.40  1.40
assign (resid   21  and name CZ    ) (resid   40  and name HA+   )   4.45  2.25  2.25
assign (resid   21  and name CZ    ) (resid   41  and name HN    )   4.10  1.90  1.90
assign (resid   22  and name HN    ) (resid   22  and name HG2+  )   4.10  1.90  1.90
assign (resid   22  and name HA    ) (resid   22  and name HG1+  )   4.10  1.90  1.90
assign (resid   22  and name HA    ) (resid   39  and name CG    )   4.60  2.40  2.40
assign (resid   22  and name HB    ) (resid   39  and name CG    )   4.00  1.80  1.80
assign (resid   22  and name HB    ) (resid   39  and name CZ    )   3.75  1.55  1.55
assign (resid   22  and name HG1+  ) (resid   23  and name HN    )   4.10  1.90  1.90
assign (resid   22  and name HG1+  ) (resid   39  and name CG    )   5.10  2.90  2.90
assign (resid   22  and name HG1+  ) (resid   39  and name HZ    )   4.10  1.90  1.90
assign (resid   22  and name HG1+  ) (resid   59  and name HN    )   4.10  1.90  1.90
assign (resid   22  and name HG1+  ) (resid   23  and name HN    )   4.10  1.90  1.90
assign (resid   22  and name HG2+  ) (resid   39  and name HZ    )   4.10  1.90  1.90
assign (resid   22  and name HG2+  ) (resid   55  and name HN    )   4.10  1.90  1.90
assign (resid   23  and name HN    ) (resid   23  and name HG+   )   3.50  1.30  1.30
assign (resid   23  and name HA    ) (resid   55  and name HN    )   3.60  1.40  1.40
assign (resid   23  and name HB+   ) (resid   24  and name HN    )   4.10  1.90  1.90
assign (resid   23  and name HG+   ) (resid   23  and name HD+   )   3.50  1.30  1.30
assign (resid   24  and name HN    ) (resid   52  and name HG2+  )   4.10  1.90  1.90
assign (resid   24  and name HB+   ) (resid   53  and name HB+   )   3.90  1.70  1.70
assign (resid   24  and name HB+   ) (resid   25  and name HN    )   4.10  1.90  1.90
assign (resid   25  and name HN    ) (resid   36  and name HG2+  )   4.10  1.90  1.90
assign (resid   25  and name HB+   ) (resid   25  and name HD1   )   3.85  1.65  1.65
assign (resid   25  and name HB+   ) (resid   25  and name HZ3   )   3.80  1.60  1.60
assign (resid   25  and name HE1   ) (resid   36  and name HG2+  )   4.10  1.90  1.90
assign (resid   25  and name HE1   ) (resid   36  and name HG1+  )   4.10  1.90  1.90
assign (resid   25  and name HD1   ) (resid   37  and name HD*   )   4.10  1.90  2.50
assign (resid   25  and name HE3   ) (resid   37  and name HD*   )   4.10  1.90  2.50
assign (resid   25  and name HE3   ) (resid   53  and name HG+   )   3.85  1.65  1.65
assign (resid   25  and name HZ3   ) (resid   52  and name HG2+  )   4.10  1.90  1.90
assign (resid   26  and name HA    ) (resid   26  and name HB+   )   3.55  1.35  1.35
assign (resid   27  and name HN    ) (resid   36  and name HG2+  )   4.10  1.90  1.90
assign (resid   27  and name HB+   ) (resid   27  and name HD2+  )   3.55  1.35  1.35
assign (resid   27  and name HB+   ) (resid   27  and name HD2+  )   4.00  1.80  1.80
assign (resid   27  and name HB+   ) (resid   36  and name HG2+  )   4.60  2.40  2.40
assign (resid   27  and name HD2+  ) (resid   36  and name HG2+  )   4.60  2.40  2.40
assign (resid   28  and name HB+   ) (resid   29  and name HN    )   4.10  1.90  1.90
assign (resid   28  and name HB+   ) (resid   29  and name HD1   )   4.10  1.90  1.90
assign (resid   30  and name HN    ) (resid   31  and name HB+   )   3.85  1.65  1.65
assign (resid   33  and name HN    ) (resid   33  and name HG+   )   3.80  1.60  1.60
assign (resid   33  and name HB+   ) (resid   33  and name HG+   )   3.50  1.30  1.30
assign (resid   35  and name HB+   ) (resid   37  and name HD2+  )   4.60  2.40  2.40
assign (resid   36  and name HN    ) (resid   36  and name HG1+  )   4.10  1.90  1.90
assign (resid   36  and name HA    ) (resid   36  and name HG1+  )   3.55  1.35  1.35
assign (resid   36  and name HG2+  ) (resid   37  and name HN    )   4.10  1.90  1.90
assign (resid   36  and name HG1+  ) (resid   37  and name HN    )   3.70  1.50  1.50
assign (resid   37  and name HN    ) (resid   37  and name HD2+  )   4.10  1.90  1.90
assign (resid   37  and name HG    ) (resid   37  and name HD2+  )   3.75  1.55  1.55
assign (resid   37  and name HD2+  ) (resid   39  and name HZ    )   4.10  1.90  1.90
assign (resid   38  and name HA    ) (resid   38  and name HB+   )   3.55  1.35  1.35
assign (resid   38  and name HB+   ) (resid   38  and name HG+   )   3.60  1.40  1.40
assign (resid   38  and name HB+   ) (resid   39  and name HN    )   3.50  1.30  1.30
assign (resid   39  and name HN    ) (resid   39  and name HB+   )   3.90  1.70  1.70
assign (resid   39  and name HB+   ) (resid   39  and name CZ    )   4.85  2.65  2.65
assign (resid   43  and name HA    ) (resid   44  and name HN    )   3.60  1.40  1.40
assign (resid   44  and name HG2+  ) (resid   45  and name HN    )   3.75  1.55  1.55
assign (resid   46  and name HB+   ) (resid   46  and name HD+   )   3.50  1.30  1.30
assign (resid   47  and name HN    ) (resid   54  and name HG2+  )   4.10  1.90  1.90
assign (resid   48  and name HN    ) (resid   48  and name HG1+  )   3.70  1.50  1.50
assign (resid   49  and name HN    ) (resid   50  and name HG2+  )   4.10  1.90  1.90
assign (resid   49  and name HB1   ) (resid   49  and name HD2+  )   4.10  1.90  1.90
assign (resid   49  and name HB2   ) (resid   49  and name HD2+  )   3.70  1.50  1.50
assign (resid   50  and name HG2+  ) (resid   51  and name HN    )   3.95  1.75  1.75
assign (resid   52  and name HN    ) (resid   52  and name HG2+  )   4.10  1.90  1.90
assign (resid   52  and name HA    ) (resid   52  and name HG2+  )   3.70  1.50  1.50
assign (resid   53  and name HN    ) (resid   53  and name HG+   )   4.10  1.90  1.90
assign (resid   53  and name HG+   ) (resid   54  and name HN    )   4.10  1.90  1.90
assign (resid   57  and name HN    ) (resid   57  and name HB+   )   3.50  1.30  1.30
assign (resid   58  and name HA    ) (resid   58  and name HB+   )   3.50  1.30  1.30
assign (resid   58  and name HB+   ) (resid   59  and name HN    )   3.95  1.75  1.75
assign (resid   59  and name HN    ) (resid   59  and name HB+   )   3.50  1.30  1.30
assign (resid   59  and name HN    ) (resid   61  and name HA    )   3.60  1.40  1.40
assign (resid   59  and name HN    ) (resid   61  and name HG+   )   3.75  1.55  1.55
assign (resid   59  and name HB+   ) (resid   62  and name HN    )   4.10  1.90  1.90
assign (resid   61  and name HB1   ) (resid   62  and name HN    )   3.60  1.40  1.40
assign (resid   63  and name HN    ) (resid   64  and name HG2+  )   4.10  1.90  1.90
assign (resid   64  and name HG2+  ) (resid   65  and name HN    )   4.10  1.90  1.90

CLASS H_BONDS

assign (resid   19  and name HN    ) (resid   42  and name O     )   2.00  0.30  0.30
assign (resid   19  and name N     ) (resid   42  and name O     )   2.85  0.45  0.45
assign (resid   20  and name HN    ) (resid   57  and name O     )   2.00  0.30  0.30
assign (resid   20  and name N     ) (resid   57  and name O     )   2.85  0.45  0.45
assign (resid   21  and name HN    ) (resid   40  and name O     )   2.00  0.30  0.30
assign (resid   21  and name N     ) (resid   40  and name O     )   2.85  0.45  0.45
assign (resid   22  and name HN    ) (resid   55  and name O     )   2.00  0.30  0.30
assign (resid   22  and name N     ) (resid   55  and name O     )   2.85  0.45  0.45
assign (resid   23  and name HN    ) (resid   38  and name O     )   2.00  0.30  0.30
assign (resid   23  and name N     ) (resid   38  and name O     )   2.85  0.45  0.45
assign (resid   24  and name HN    ) (resid   53  and name O     )   2.00  0.30  0.30
assign (resid   24  and name N     ) (resid   53  and name O     )   2.85  0.45  0.45
assign (resid   57  and name HN    ) (resid   20  and name O     )   2.00  0.30  0.30
assign (resid   57  and name N     ) (resid   20  and name O     )   2.85  0.45  0.45
assign (resid   53  and name HN    ) (resid   24  and name O     )   2.00  0.30  0.30
assign (resid   53  and name N     ) (resid   24  and name O     )   2.85  0.45  0.45
assign (resid   42  and name HN    ) (resid   19  and name O     )   2.00  0.30  0.30
assign (resid   42  and name N     ) (resid   19  and name O     )   2.85  0.45  0.45
assign (resid   40  and name HN    ) (resid   21  and name O     )   2.00  0.30  0.30
assign (resid   40  and name N     ) (resid   21  and name O     )   2.85  0.45  0.45


REMARK
REMARK     TORSION ANGLE RESTRAINTS
REMARK
REMARK     TORSION ANGLE RESTRAINTS WERE DERIVED FROM NOE AND COUPLING 
REMARK     CONSTANT DATA.  THE UPPER AND LOWER BOUNDS ARE GIVEN BY I+J
REMARK     AND I-J WHERE THE NUMBERS ARE ENTERED IN THE ORDER H,I,J,K.
REMARK     H IS THE FORCE CONSTANT AND K IS THE EXPONENT USED TO
REMARK     COMPUTE THE TORSION ANGLE RESTRAIN TARGET FUNCTION
! phi angle restraints

assign  (resid 1 and name C )    (resid 2 and name N)
        (resid 2 and name CA)    (resid 2 and name C)   1.0 -120. 50. 2
assign  (resid 16 and name C )   (resid 17 and name N)
        (resid 17 and name CA)   (resid 17 and name C ) 1.0 -120. 50. 2
assign  (resid 14 and name C )   (resid 15 and name N)
        (resid 15 and name CA)   (resid 15 and name C ) 1.0 -120. 50. 2
assign  (resid 17 and name C )   (resid 18 and name N)
        (resid 18 and name CA)   (resid 18 and name C ) 1.0 -120. 50. 2
assign  (resid 18 and name C )   (resid 19 and name N)
        (resid 19 and name CA)   (resid 19 and name C ) 1.0 -120. 50. 2
assign  (resid 19 and name C )   (resid 20 and name N)
        (resid 20 and name CA)   (resid 20 and name C ) 1.0 -120. 50. 2
assign  (resid 20 and name C )   (resid 21 and name N)
        (resid 21 and name CA)   (resid 21 and name C ) 1.0 -120. 50. 2
assign  (resid 21 and name C )   (resid 22 and name N ) 
        (resid 22 and name CA)   (resid 22 and name C ) 1.0 -120. 50. 2
assign  (resid 22 and name C )   (resid 23 and name N)
        (resid 23 and name CA)   (resid 23 and name C ) 1.0 -120. 50. 2
assign  (resid 23 and name C )   (resid 24 and name N)
        (resid 24 and name CA)   (resid 24 and name C ) 1.0 -120. 50. 2
assign  (resid 24 and name C )   (resid 25 and name N )
        (resid 25 and name CA)   (resid 25 and name C ) 1.0 -120. 50. 2
assign  (resid 25 and name C )   (resid 26 and name N)
        (resid 26 and name CA)   (resid 26 and name C ) 1.0 -120. 50. 2
assign  (resid 26 and name C )   (resid 27 and name N)
        (resid 27 and name CA)   (resid 27 and name C ) 1.0 -120. 50. 2
assign  (resid 28 and name C )   (resid 29 and name N)
        (resid 29 and name CA)   (resid 29 and name C ) 1.0 -120. 50. 2
assign  (resid 29 and name C )   (resid 30 and name N )
        (resid 30 and name CA)   (resid 30 and name C ) 1.0  -65. 25. 2
assign  (resid 30 and name C )   (resid 31 and name N )
        (resid 31 and name CA)   (resid 31 and name C ) 1.0  -65. 25. 2
assign  (resid 32 and name C )   (resid 33 and name N )
        (resid 33 and name CA)   (resid 33 and name C ) 1.0 -120. 50. 2
assign  (resid 34 and name C )   (resid 35 and name N ) 
        (resid 35 and name CA)   (resid 35 and name C ) 1.0  -65. 25. 2
assign  (resid 35 and name C )   (resid 36 and name N)
        (resid 36 and name CA)   (resid 36 and name C ) 1.0 -120. 50. 2
assign  (resid 36 and name C )   (resid 37 and name N)
        (resid 37 and name CA)   (resid 37 and name C ) 1.0 -120. 50. 2
assign  (resid 37 and name C )   (resid 38 and name N)
        (resid 38 and name CA)   (resid 38 and name C ) 1.0 -120. 50. 2
assign  (resid 40 and name C )   (resid 41 and name N)
        (resid 41 and name CA)   (resid 41 and name C ) 1.0 -120. 50. 2
assign  (resid 46 and name C )   (resid 47 and name N)
        (resid 47 and name CA)   (resid 47 and name C ) 1.0 -120. 50. 2
assign  (resid 47 and name C )   (resid 48 and name N )
        (resid 48 and name CA)   (resid 48 and name C ) 1.0 -120. 50. 2
assign  (resid 49 and name C )   (resid 50 and name N )
        (resid 50 and name CA)   (resid 50 and name C ) 1.0  -65. 25. 2
assign  (resid 51 and name C )   (resid 52 and name N )
        (resid 52 and name CA)   (resid 52 and name C ) 1.0 -120. 50. 2
assign  (resid 53 and name C )   (resid 54 and name N)
        (resid 54 and name CA)   (resid 54 and name C ) 1.0 -120. 50. 2
assign  (resid 55 and name C )   (resid 56 and name N)
        (resid 56 and name CA)   (resid 56 and name C ) 1.0 -120. 20. 2
assign  (resid 58 and name C )   (resid 59 and name N)
        (resid 59 and name CA)   (resid 59 and name C ) 1.0 -120. 50. 2
assign  (resid 60 and name C )   (resid 61 and name N)
        (resid 61 and name CA)   (resid 61 and name C ) 1.0 -120. 20. 2
assign  (resid 62 and name C )   (resid 63 and name N)
        (resid 63 and name CA)   (resid 63 and name C ) 1.0 -120. 50. 2


! Chi1 angle restraints

assign  (resid  3 and name N )   (resid  3 and name CA)
        (resid  3 and name CB)   (resid  3 and name SG) 1.0  -60. 20. 2
assign  (resid  5 and name N )   (resid  5 and name CA)
        (resid  5 and name CB)   (resid  5 and name CG) 1.0  -60. 20. 2
assign  (resid 13 and name N )   (resid 13 and name CA)
        (resid 13 and name CB)   (resid 13 and name SG) 1.0  180. 20. 2
assign  (resid 21 and name N )   (resid 21 and name CA)
        (resid 21 and name CB)   (resid 21 and name CG) 1.0   60. 20. 2
assign  (resid 25 and name N )   (resid 25 and name CA)
        (resid 25 and name CB)   (resid 25 and name CG) 1.0   60. 20. 2
assign  (resid 29 and name N )   (resid 29 and name CA)
        (resid 29 and name CB)   (resid 29 and name CG) 1.0  -60. 20. 2
assign  (resid 37 and name N )   (resid 37 and name CA)
        (resid 37 and name CB)   (resid 37 and name CG) 1.0  240. 80. 2
assign  (resid 41 and name N )   (resid 41 and name CA)
        (resid 41 and name CB)   (resid 41 and name SG) 1.0  180. 20. 2
assign  (resid 45 and name N )   (resid 45 and name CA)
        (resid 45 and name CB)   (resid 45 and name SG) 1.0  180. 20. 2
assign  (resid 49 and name N )   (resid 49 and name CA)
        (resid 49 and name CB)   (resid 49 and name CG) 1.0  180. 20. 2
assign  (resid 57 and name N )   (resid 57 and name CA)
        (resid 57 and name CB)   (resid 57 and name SG) 1.0  180. 20. 2
assign  (resid 60 and name N )   (resid 60 and name CA)
        (resid 60 and name CB)   (resid 60 and name CG) 1.0  180. 20. 2
assign  (resid 63 and name N )   (resid 63 and name CA)
        (resid 63 and name CB)   (resid 63 and name CG) 1.0   60. 20. 2
assign  (resid 65 and name N )   (resid 65 and name CA)
        (resid 65 and name CB)   (resid 65 and name CG) 1.0  180. 20. 2
REMARK
REMARK   J-RESTRAINTS
REMARK   COUPLING CONSTANTS WERE DETERMINED BY A LEAST SQUARES FIT OF COUPLING
REMARK   CONSTANTS, LINE WIDTHS, AND CHEMICAL SHIFTS TO T2 CROSS-SECTIONS
REMARK   IN P.COSY AND DQF-COSY SPECTRA.  THE RESTRAINTS ARE DEFINED BY A 
REMARK   HARMONIC POTENTIAL WHERE THE COUPLING IS GIVEN IN THE FIRST
REMARK   COLUMN OF NUMBERS.
REMARK
! J restraints

assign  (resid 1 and name C )    (resid 2 and name N)
        (resid 2 and name CA)    (resid 2 and name C)   9.90 0.0
assign  (resid 4 and name C )    (resid 5 and name N)
        (resid 5 and name CA)    (resid 5 and name C)   8.54 0.0
assign  (resid 14 and name C )   (resid 15 and name N)
        (resid 15 and name CA)   (resid 15 and name C ) 9.21 0.0
assign  (resid 17 and name C )   (resid 18 and name N)
        (resid 18 and name CA)   (resid 18 and name C ) 8.90 0.0
assign  (resid 18 and name C )   (resid 19 and name N)
        (resid 19 and name CA)   (resid 19 and name C ) 9.30 0.0 
assign  (resid 19 and name C )   (resid 20 and name N)
        (resid 20 and name CA)   (resid 20 and name C ) 10.2 0.0
assign  (resid 20 and name C )   (resid 21 and name N)
        (resid 21 and name CA)   (resid 21 and name C ) 9.80 0.0
assign  (resid 21 and name C )   (resid 22 and name N ) 
        (resid 22 and name CA)   (resid 22 and name C ) 8.40 0.0
assign  (resid 22 and name C )   (resid 23 and name N)
        (resid 23 and name CA)   (resid 23 and name C ) 9.60 0.0
assign  (resid 23 and name C )   (resid 24 and name N)
        (resid 24 and name CA)   (resid 24 and name C ) 9.94 0.0
assign  (resid 24 and name C )   (resid 25 and name N )
        (resid 25 and name CA)   (resid 25 and name C ) 8.12 0.0
assign  (resid 25 and name C )   (resid 26 and name N)
        (resid 26 and name CA)   (resid 26 and name C ) 8.83 0.0
assign  (resid 26 and name C )   (resid 27 and name N)
        (resid 27 and name CA)   (resid 27 and name C ) 11.1 0.0
assign  (resid 28 and name C )   (resid 29 and name N)
        (resid 29 and name CA)   (resid 29 and name C ) 8.87 0.0
assign  (resid 29 and name C )   (resid 30 and name N )
        (resid 30 and name CA)   (resid 30 and name C ) 3.94 0.0
assign  (resid 30 and name C )   (resid 31 and name N )
        (resid 31 and name CA)   (resid 31 and name C ) 3.05 0.0
assign  (resid 32 and name C )   (resid 33 and name N )
        (resid 33 and name CA)   (resid 33 and name C ) 9.35 0.0
assign  (resid 34 and name C )   (resid 35 and name N ) 
        (resid 35 and name CA)   (resid 35 and name C ) 2.56 0.0
assign  (resid 35 and name C )   (resid 36 and name N)
        (resid 36 and name CA)   (resid 36 and name C ) 9.41 0.0
assign  (resid 36 and name C )   (resid 37 and name N)
        (resid 37 and name CA)   (resid 37 and name C ) 9.95 0.0
assign  (resid 37 and name C )   (resid 38 and name N)
        (resid 38 and name CA)   (resid 38 and name C ) 10.4 0.0
assign  (resid 40 and name C )   (resid 41 and name N)
        (resid 41 and name CA)   (resid 41 and name C ) 9.84 0.0
assign  (resid 46 and name C )   (resid 47 and name N)
        (resid 47 and name CA)   (resid 47 and name C ) 9.53 0.0
assign  (resid 47 and name C )   (resid 48 and name N )
        (resid 48 and name CA)   (resid 48 and name C ) 9.54 0.0
assign  (resid 49 and name C )   (resid 50 and name N )
        (resid 50 and name CA)   (resid 50 and name C ) 4.96 0.0
assign  (resid 51 and name C )   (resid 52 and name N )
        (resid 52 and name CA)   (resid 52 and name C ) 9.69 0.0
assign  (resid 53 and name C )   (resid 54 and name N)
        (resid 54 and name CA)   (resid 54 and name C ) 9.31 0.0
assign  (resid 55 and name C )   (resid 56 and name N)
        (resid 56 and name CA)   (resid 56 and name C ) 10.3 0.0
assign  (resid 58 and name C )   (resid 59 and name N)
        (resid 59 and name CA)   (resid 59 and name C ) 8.17 0.0
assign  (resid 60 and name C )   (resid 61 and name N)
        (resid 61 and name CA)   (resid 61 and name C ) 11.3 0.0 
assign  (resid 62 and name C )   (resid 63 and name N)
        (resid 63 and name CA)   (resid 63 and name C ) 9.19 0.0




!end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1           HT2      ARG   1   2.094  14.683  -0.194
    2   2H    ARG   1           HT3      ARG   1   2.665  14.889  -1.782
    3   3H    ARG   1           HT1      ARG   1   0.998  14.804  -1.485
    4    HA   ARG   1           HA       ARG   1   1.112  12.662  -1.940
    5   1HB   ARG   1           HB1      ARG   1   3.059  11.737  -2.762
    6   2HB   ARG   1           HB2      ARG   1   3.548  13.423  -2.764
    7   1HG   ARG   1           HG1      ARG   1   4.085  11.486  -0.494
    8   2HG   ARG   1           HG2      ARG   1   5.257  11.921  -1.738
    9   1HD   ARG   1           HD1      ARG   1   3.897  13.936   0.074
   10   2HD   ARG   1           HD2      ARG   1   5.492  13.252   0.388
   11    HE   ARG   1           HE       ARG   1   4.839  15.232  -1.681
   12   1HH1  ARG   1          HH11      ARG   1   6.425  12.966  -2.919
   13   2HH1  ARG   1          HH12      ARG   1   8.050  13.522  -2.699
   14   1HH2  ARG   1          HH21      ARG   1   7.191  15.913  -0.338
   15   2HH2  ARG   1          HH22      ARG   1   8.484  15.191  -1.238
   16    H    GLU   2           HN       GLU   2   1.105  10.654  -0.779
   17    HA   GLU   2           HA       GLU   2   1.873  10.889   2.101
   18   1HB   GLU   2           HB1      GLU   2  -0.476   9.373   0.914
   19   2HB   GLU   2           HB2      GLU   2  -0.054   9.444   2.625
   20   1HG   GLU   2           HG1      GLU   2  -0.432  11.860   2.648
   21   2HG   GLU   2           HG2      GLU   2  -0.744  11.853   0.912
   22    H    CYS   3           HN       CYS   3   2.608   8.848   3.049
   23    HA   CYS   3           HA       CYS   3   3.521   6.673   3.012
   24   1HB   CYS   3           HB1      CYS   3   2.974   6.722   0.034
   25   2HB   CYS   3           HB2      CYS   3   3.534   5.336   0.959
   26    H    TYR   4           HN       TYR   4   4.377   8.761   0.290
   27    HA   TYR   4           HA       TYR   4   6.480   9.210  -0.669
   28   1HB   TYR   4           HB1      TYR   4   8.148   9.526   1.506
   29   2HB   TYR   4           HB2      TYR   4   7.080  10.769   0.859
   30    HD1  TYR   4           HD2      TYR   4   4.614  10.779   1.749
   31    HD2  TYR   4           HD1      TYR   4   7.855   8.761   3.723
   32    HE1  TYR   4           HE2      TYR   4   3.315  10.761   3.864
   33    HE2  TYR   4           HE1      TYR   4   6.556   8.743   5.838
   34    HH   TYR   4           HH       TYR   4   3.943  10.650   6.405
   35    H    LEU   5           HN       LEU   5   7.973   7.658   2.142
   36    HA   LEU   5           HA       LEU   5   8.589   5.356   0.501
   37   1HB   LEU   5           HB1      LEU   5  10.848   6.692   1.852
   38   2HB   LEU   5           HB2      LEU   5  10.862   5.528   0.540
   39    HG   LEU   5           HG       LEU   5   9.556   7.397  -0.759
   40   1HD1  LEU   5          HD11      LEU   5   9.860   8.690   1.658
   41   2HD1  LEU   5          HD13      LEU   5  11.190   9.351   0.706
   42   3HD1  LEU   5          HD12      LEU   5   9.532   9.488   0.120
   43   1HD2  LEU   5          HD23      LEU   5  11.853   6.517  -1.256
   44   2HD2  LEU   5          HD21      LEU   5  11.663   8.230  -1.634
   45   3HD2  LEU   5          HD22      LEU   5  12.508   7.739  -0.165
   46    H    ASN   6           HN       ASN   6   7.078   4.561   2.251
   47    HA   ASN   6           HA       ASN   6   7.974   4.337   4.987
   48   1HB   ASN   6           HB1      ASN   6   6.404   2.049   4.032
   49   2HB   ASN   6           HB2      ASN   6   5.993   3.221   5.277
   50   1HD2  ASN   6          HD22      ASN   6   4.211   3.442   1.692
   51   2HD2  ASN   6          HD21      ASN   6   5.157   2.118   2.180
   52    HA   PRO   7           HA       PRO   7  10.673   0.816   4.437
   53   1HB   PRO   7           HB1      PRO   7   9.656  -1.308   5.870
   54   2HB   PRO   7           HB2      PRO   7  10.454   0.088   6.611
   55   1HG   PRO   7           HG1      PRO   7   7.557  -0.618   6.528
   56   2HG   PRO   7           HG2      PRO   7   8.432   0.378   7.702
   57   1HD   PRO   7           HD1      PRO   7   6.796   1.296   5.570
   58   2HD   PRO   7           HD2      PRO   7   7.857   2.298   6.579
   59    H    HIS   8           HN       HIS   8   8.439   1.063   2.497
   60    HA   HIS   8           HA       HIS   8   8.476  -1.673   1.345
   61   1HB   HIS   8           HB1      HIS   8   6.133   0.239   1.583
   62   2HB   HIS   8           HB2      HIS   8   6.135  -1.163   0.523
   63    HD1  HIS   8           HD1      HIS   8   5.956  -3.501   1.621
   64    HD2  HIS   8           HD2      HIS   8   5.985  -0.379   4.376
   65    HE1  HIS   8           HE1      HIS   8   5.198  -4.491   3.818
   66    H    ASP   9           HN       ASP   9   7.129  -0.950  -1.020
   67    HA   ASP   9           HA       ASP   9   9.242   0.496  -2.413
   68   1HB   ASP   9           HB1      ASP   9   7.563  -1.422  -3.230
   69   2HB   ASP   9           HB2      ASP   9   6.617  -0.021  -3.736
   70    H    THR  10           HN       THR  10   5.967   1.245  -1.318
   71    HA   THR  10           HA       THR  10   4.873   3.293  -1.093
   72    HB   THR  10           HB       THR  10   6.918   5.166  -1.844
   73    HG1  THR  10           HG1      THR  10   7.708   3.092  -0.072
   74   1HG2  THR  10          HG23      THR  10   5.444   4.312   0.614
   75   2HG2  THR  10          HG22      THR  10   6.798   5.412   0.768
   76   3HG2  THR  10          HG21      THR  10   5.425   5.864  -0.222
   77    H    GLN  11           HN       GLN  11   4.786   5.556  -2.442
   78    HA   GLN  11           HA       GLN  11   5.231   5.387  -5.256
   79   1HB   GLN  11           HB1      GLN  11   3.028   3.922  -4.409
   80   2HB   GLN  11           HB2      GLN  11   2.328   5.456  -4.928
   81   1HG   GLN  11           HG1      GLN  11   3.562   5.258  -7.070
   82   2HG   GLN  11           HG2      GLN  11   4.186   3.694  -6.548
   83   1HE2  GLN  11          HE22      GLN  11   0.950   3.360  -8.567
   84   2HE2  GLN  11          HE21      GLN  11   2.350   4.276  -8.856
   85    H    THR  12           HN       THR  12   3.466   6.807  -2.553
   86    HA   THR  12           HA       THR  12   3.106   9.033  -2.007
   87    HB   THR  12           HB       THR  12   4.555  10.621  -2.810
   88    HG1  THR  12           HG1      THR  12   5.115  10.817  -4.901
   89   1HG2  THR  12          HG23      THR  12   5.641   8.296  -2.197
   90   2HG2  THR  12          HG22      THR  12   6.111   8.316  -3.897
   91   3HG2  THR  12          HG21      THR  12   6.635   9.613  -2.822
   92    H    CYS  13           HN       CYS  13   1.632  10.656  -2.519
   93    HA   CYS  13           HA       CYS  13   0.267  10.485  -5.166
   94   1HB   CYS  13           HB1      CYS  13  -0.992   9.276  -3.328
   95   2HB   CYS  13           HB2      CYS  13  -1.127  10.824  -2.498
   96    HA   PRO  14           HA       PRO  14   1.270  14.836  -3.708
   97   1HB   PRO  14           HB1      PRO  14   3.167  15.389  -5.627
   98   2HB   PRO  14           HB2      PRO  14   3.549  14.728  -4.031
   99   1HG   PRO  14           HG1      PRO  14   3.517  13.372  -6.695
  100   2HG   PRO  14           HG2      PRO  14   4.448  12.963  -5.245
  101   1HD   PRO  14           HD1      PRO  14   2.080  11.674  -6.157
  102   2HD   PRO  14           HD2      PRO  14   2.850  11.460  -4.573
  103    H    SER  15           HN       SER  15  -0.249  13.322  -6.192
  104    HA   SER  15           HA       SER  15  -0.478  15.724  -7.932
  105   1HB   SER  15           HB1      SER  15  -0.338  12.997  -8.497
  106   2HB   SER  15           HB2      SER  15  -2.034  13.401  -8.750
  107    HG   SER  15           HG       SER  15  -1.315  15.172 -10.047
  108    H    GLY  16           HN       GLY  16  -2.979  15.504  -8.952
  109   1HA   GLY  16           HA1      GLY  16  -4.676  16.851  -7.255
  110   2HA   GLY  16           HA2      GLY  16  -5.284  15.759  -8.498
  111    H    GLN  17           HN       GLN  17  -4.283  13.322  -7.420
  112    HA   GLN  17           HA       GLN  17  -6.327  12.766  -5.456
  113   1HB   GLN  17           HB1      GLN  17  -3.955  11.179  -6.470
  114   2HB   GLN  17           HB2      GLN  17  -5.084  10.544  -5.271
  115   1HG   GLN  17           HG1      GLN  17  -6.144  11.719  -7.827
  116   2HG   GLN  17           HG2      GLN  17  -5.497  10.078  -7.831
  117   1HE2  GLN  17          HE22      GLN  17  -8.959  10.877  -5.763
  118   2HE2  GLN  17          HE21      GLN  17  -7.934  12.156  -6.207
  119    H    GLU  18           HN       GLU  18  -5.957  12.163  -3.209
  120    HA   GLU  18           HA       GLU  18  -3.321  12.996  -2.108
  121   1HB   GLU  18           HB1      GLU  18  -4.400  14.339  -0.373
  122   2HB   GLU  18           HB2      GLU  18  -4.877  14.936  -1.964
  123   1HG   GLU  18           HG1      GLU  18  -6.659  12.826  -1.040
  124   2HG   GLU  18           HG2      GLU  18  -6.596  14.164   0.108
  125    H    ILE  19           HN       ILE  19  -5.180  10.456  -2.439
  126    HA   ILE  19           HA       ILE  19  -5.204   9.672   0.439
  127    HB   ILE  19           HB       ILE  19  -6.286   8.042  -1.834
  128   1HG1  ILE  19          HG11      ILE  19  -7.116  10.670  -1.327
  129   2HG1  ILE  19          HG12      ILE  19  -8.021   9.451  -2.208
  130   1HG2  ILE  19          HG21      ILE  19  -6.021   7.139   0.510
  131   2HG2  ILE  19          HG23      ILE  19  -7.214   8.324   1.034
  132   3HG2  ILE  19          HG22      ILE  19  -7.667   7.069  -0.120
  133   1HD1  ILE  19          HD13      ILE  19  -9.074   8.725  -0.072
  134   2HD1  ILE  19          HD11      ILE  19  -8.200  10.006   0.769
  135   3HD1  ILE  19          HD12      ILE  19  -9.415  10.416  -0.442
  136    H    CYS  20           HN       CYS  20  -4.295   7.620   0.987
  137    HA   CYS  20           HA       CYS  20  -2.200   6.684  -0.931
  138   1HB   CYS  20           HB1      CYS  20  -1.734   7.961   1.511
  139   2HB   CYS  20           HB2      CYS  20  -1.526   6.248   1.875
  140    H    TYR  21           HN       TYR  21  -2.704   4.616  -1.500
  141    HA   TYR  21           HA       TYR  21  -4.248   3.012   0.480
  142   1HB   TYR  21           HB1      TYR  21  -5.023   1.684  -1.306
  143   2HB   TYR  21           HB2      TYR  21  -4.989   3.309  -1.988
  144    HD1  TYR  21           HD1      TYR  21  -3.008   4.016  -3.390
  145    HD2  TYR  21           HD2      TYR  21  -3.660  -0.050  -2.177
  146    HE1  TYR  21           HE1      TYR  21  -1.453   3.242  -5.161
  147    HE2  TYR  21           HE2      TYR  21  -2.112  -0.825  -3.955
  148    HH   TYR  21           HH       TYR  21  -0.573   1.483  -6.190
  149    H    VAL  22           HN       VAL  22  -3.541   0.789   0.893
  150    HA   VAL  22           HA       VAL  22  -0.603   0.483   0.429
  151    HB   VAL  22           HB       VAL  22  -0.329  -0.350   2.645
  152   1HG1  VAL  22          HG11      VAL  22  -2.239   2.008   2.591
  153   2HG1  VAL  22          HG13      VAL  22  -1.381   1.491   4.040
  154   3HG1  VAL  22          HG12      VAL  22  -0.478   2.064   2.640
  155   1HG2  VAL  22          HG22      VAL  22  -3.353  -0.428   2.710
  156   2HG2  VAL  22          HG21      VAL  22  -2.244  -1.796   2.822
  157   3HG2  VAL  22          HG23      VAL  22  -2.344  -0.632   4.142
  158    H    LYS  23           HN       LYS  23  -0.225  -1.232  -0.847
  159    HA   LYS  23           HA       LYS  23  -2.195  -3.466  -0.903
  160   1HB   LYS  23           HB1      LYS  23  -1.467  -2.239  -3.023
  161   2HB   LYS  23           HB2      LYS  23   0.111  -2.985  -2.804
  162   1HG   LYS  23           HG1      LYS  23  -1.079  -5.223  -2.737
  163   2HG   LYS  23           HG2      LYS  23  -2.547  -4.373  -3.221
  164   1HD   LYS  23           HD1      LYS  23   0.064  -4.357  -4.767
  165   2HD   LYS  23           HD2      LYS  23  -1.345  -5.340  -5.171
  166   1HE   LYS  23           HE1      LYS  23  -2.665  -3.411  -5.656
  167   2HE   LYS  23           HE2      LYS  23  -1.493  -2.330  -4.903
  168   1HZ   LYS  23           HZ3      LYS  23  -0.587  -4.007  -7.121
  169   2HZ   LYS  23           HZ1      LYS  23  -1.573  -2.677  -7.491
  170   3HZ   LYS  23           HZ2      LYS  23  -0.101  -2.440  -6.675
  171    H    SER  24           HN       SER  24  -1.631  -5.348   0.120
  172    HA   SER  24           HA       SER  24   1.263  -5.980   0.382
  173   1HB   SER  24           HB1      SER  24   0.964  -6.566   2.749
  174   2HB   SER  24           HB2      SER  24   0.558  -4.874   2.475
  175    HG   SER  24           HG       SER  24  -1.197  -5.477   3.491
  176    H    TRP  25           HN       TRP  25   1.393  -7.885  -0.716
  177    HA   TRP  25           HA       TRP  25  -0.520 -10.046   0.100
  178   1HB   TRP  25           HB1      TRP  25  -0.510 -10.863  -2.234
  179   2HB   TRP  25           HB2      TRP  25  -1.154  -9.223  -2.132
  180    HD1  TRP  25           HD1      TRP  25   1.588 -11.207  -3.721
  181    HE1  TRP  25           HE1      TRP  25   3.095  -9.611  -5.087
  182    HE3  TRP  25           HE3      TRP  25  -0.126  -6.800  -1.971
  183    HZ2  TRP  25           HZ2      TRP  25   3.509  -6.763  -5.355
  184    HZ3  TRP  25           HZ3      TRP  25   0.812  -4.690  -2.726
  185    HH2  TRP  25           HH2      TRP  25   2.633  -4.623  -4.427
  186    H    CYS  26           HN       CYS  26   0.509 -12.220  -1.025
  187    HA   CYS  26           HA       CYS  26   3.457 -12.189  -0.633
  188   1HB   CYS  26           HB1      CYS  26   1.721 -13.055   1.370
  189   2HB   CYS  26           HB2      CYS  26   2.221 -14.544   0.570
  190    H    ASN  27           HN       ASN  27   4.125 -14.720  -0.991
  191    HA   ASN  27           HA       ASN  27   2.736 -15.549  -3.507
  192   1HB   ASN  27           HB1      ASN  27   5.414 -14.828  -3.160
  193   2HB   ASN  27           HB2      ASN  27   5.442 -16.592  -3.175
  194   1HD2  ASN  27          HD22      ASN  27   4.590 -14.549  -6.592
  195   2HD2  ASN  27          HD21      ASN  27   4.842 -13.730  -5.125
  196    H    ALA  28           HN       ALA  28   3.239 -18.027  -3.909
  197    HA   ALA  28           HA       ALA  28   2.168 -19.445  -1.639
  198   1HB   ALA  28           HB3      ALA  28   2.538 -19.952  -4.418
  199   2HB   ALA  28           HB2      ALA  28   3.275 -21.277  -3.519
  200   3HB   ALA  28           HB1      ALA  28   1.576 -20.878  -3.267
  201    H    TRP  29           HN       TRP  29   5.237 -18.433  -2.328
  202    HA   TRP  29           HA       TRP  29   6.379 -20.430  -0.445
  203   1HB   TRP  29           HB1      TRP  29   7.656 -19.521  -3.013
  204   2HB   TRP  29           HB2      TRP  29   8.376 -20.579  -1.829
  205    HD1  TRP  29           HD1      TRP  29   5.001 -20.539  -3.787
  206    HE1  TRP  29           HE1      TRP  29   4.551 -22.971  -4.550
  207    HE3  TRP  29           HE3      TRP  29   9.063 -22.778  -1.810
  208    HZ2  TRP  29           HZ2      TRP  29   5.802 -25.560  -4.326
  209    HZ3  TRP  29           HZ3      TRP  29   9.455 -25.233  -2.072
  210    HH2  TRP  29           HH2      TRP  29   7.821 -26.620  -3.331
  211    H    CYS  30           HN       CYS  30   5.603 -17.390  -0.483
  212    HA   CYS  30           HA       CYS  30   8.117 -15.990  -0.194
  213   1HB   CYS  30           HB1      CYS  30   6.822 -14.133   0.632
  214   2HB   CYS  30           HB2      CYS  30   5.962 -14.850  -0.728
  215    H    SER  31           HN       SER  31   7.172 -18.425   1.686
  216    HA   SER  31           HA       SER  31   6.959 -17.722   4.322
  217   1HB   SER  31           HB1      SER  31   7.830 -19.801   4.860
  218   2HB   SER  31           HB2      SER  31   7.486 -20.048   3.151
  219    HG   SER  31           HG       SER  31   9.819 -20.214   4.353
  220    H    SER  32           HN       SER  32   7.875 -15.735   4.831
  221    HA   SER  32           HA       SER  32   9.559 -14.150   5.234
  222   1HB   SER  32           HB1      SER  32  11.411 -16.330   6.022
  223   2HB   SER  32           HB2      SER  32  11.002 -14.841   6.869
  224    HG   SER  32           HG       SER  32  10.082 -17.164   7.445
  225    H    ARG  33           HN       ARG  33   9.719 -13.975   2.887
  226    HA   ARG  33           HA       ARG  33  12.486 -14.664   1.996
  227   1HB   ARG  33           HB1      ARG  33   9.907 -14.997   0.452
  228   2HB   ARG  33           HB2      ARG  33  11.480 -14.920  -0.343
  229   1HG   ARG  33           HG1      ARG  33  10.893 -16.853   1.909
  230   2HG   ARG  33           HG2      ARG  33  10.616 -17.264   0.216
  231   1HD   ARG  33           HD1      ARG  33  12.852 -17.413  -0.244
  232   2HD   ARG  33           HD2      ARG  33  13.265 -16.082   0.836
  233    HE   ARG  33           HE       ARG  33  12.513 -18.110   2.562
  234   1HH1  ARG  33          HH11      ARG  33  13.928 -19.047  -0.274
  235   2HH1  ARG  33          HH12      ARG  33  15.394 -19.653   0.423
  236   1HH2  ARG  33          HH21      ARG  33  14.749 -18.349   3.570
  237   2HH2  ARG  33          HH22      ARG  33  15.859 -19.257   2.598
  238    H    GLY  34           HN       GLY  34  10.159 -13.094  -0.089
  239   1HA   GLY  34           HA1      GLY  34  11.263 -10.424   0.607
  240   2HA   GLY  34           HA2      GLY  34  11.440 -10.991  -1.055
  241    H    LYS  35           HN       LYS  35   8.899 -10.639   1.443
  242    HA   LYS  35           HA       LYS  35   6.628 -10.775  -0.148
  243   1HB   LYS  35           HB1      LYS  35   7.016  -8.671   1.995
  244   2HB   LYS  35           HB2      LYS  35   5.502  -9.423   1.493
  245   1HG   LYS  35           HG1      LYS  35   5.828 -11.130   2.926
  246   2HG   LYS  35           HG2      LYS  35   7.415 -11.458   2.231
  247   1HD   LYS  35           HD1      LYS  35   7.410 -10.849   4.705
  248   2HD   LYS  35           HD2      LYS  35   8.473  -9.874   3.689
  249   1HE   LYS  35           HE1      LYS  35   7.080  -8.007   3.801
  250   2HE   LYS  35           HE2      LYS  35   5.645  -8.972   4.143
  251   1HZ   LYS  35           HZ2      LYS  35   7.366  -9.475   6.221
  252   2HZ   LYS  35           HZ3      LYS  35   7.502  -7.803   5.954
  253   3HZ   LYS  35           HZ1      LYS  35   5.983  -8.489   6.267
  254    H    VAL  36           HN       VAL  36   5.521  -9.348  -1.509
  255    HA   VAL  36           HA       VAL  36   7.119  -7.012  -2.460
  256    HB   VAL  36           HB       VAL  36   4.748  -7.761  -4.030
  257   1HG1  VAL  36          HG13      VAL  36   7.258  -6.530  -4.380
  258   2HG1  VAL  36          HG12      VAL  36   7.315  -8.006  -5.345
  259   3HG1  VAL  36          HG11      VAL  36   6.036  -6.822  -5.619
  260   1HG2  VAL  36          HG21      VAL  36   6.823  -9.804  -3.316
  261   2HG2  VAL  36          HG23      VAL  36   5.102 -10.022  -3.634
  262   3HG2  VAL  36          HG22      VAL  36   6.221  -9.768  -4.973
  263    H    LEU  37           HN       LEU  37   6.225  -5.923  -0.429
  264    HA   LEU  37           HA       LEU  37   3.396  -5.098  -0.753
  265   1HB   LEU  37           HB1      LEU  37   5.335  -5.233   1.544
  266   2HB   LEU  37           HB2      LEU  37   3.870  -4.274   1.653
  267    HG   LEU  37           HG       LEU  37   2.549  -6.111   1.852
  268   1HD1  LEU  37          HD11      LEU  37   2.906  -6.811  -0.507
  269   2HD1  LEU  37          HD13      LEU  37   4.377  -7.649  -0.016
  270   3HD1  LEU  37          HD12      LEU  37   2.810  -8.192   0.578
  271   1HD2  LEU  37          HD21      LEU  37   5.201  -6.711   2.820
  272   2HD2  LEU  37          HD23      LEU  37   3.640  -7.119   3.533
  273   3HD2  LEU  37          HD22      LEU  37   4.369  -8.189   2.336
  274    H    GLU  38           HN       GLU  38   2.975  -3.058  -1.434
  275    HA   GLU  38           HA       GLU  38   4.903  -0.884  -0.842
  276   1HB   GLU  38           HB1      GLU  38   4.726  -0.112  -3.253
  277   2HB   GLU  38           HB2      GLU  38   5.673  -1.580  -3.011
  278   1HG   GLU  38           HG1      GLU  38   3.087  -2.536  -3.337
  279   2HG   GLU  38           HG2      GLU  38   3.168  -1.196  -4.481
  280    H    PHE  39           HN       PHE  39   3.889   1.127  -0.666
  281    HA   PHE  39           HA       PHE  39   0.937   1.105  -0.988
  282   1HB   PHE  39           HB1      PHE  39   2.483   3.019   0.761
  283   2HB   PHE  39           HB2      PHE  39   0.768   2.611   0.842
  284    HD1  PHE  39           HD2      PHE  39   1.294  -0.441   0.363
  285    HD2  PHE  39           HD1      PHE  39   2.911   2.443   3.108
  286    HE1  PHE  39           HE2      PHE  39   1.806  -2.259   1.971
  287    HE2  PHE  39           HE1      PHE  39   3.426   0.624   4.715
  288    HZ   PHE  39           HZ       PHE  39   2.873  -1.726   4.147
  289    H    GLY  40           HN       GLY  40  -0.013   3.024  -2.002
  290   1HA   GLY  40           HA1      GLY  40   1.935   4.968  -3.089
  291   2HA   GLY  40           HA2      GLY  40   1.003   4.038  -4.258
  292    H    CYS  41           HN       CYS  41  -0.102   5.813  -5.088
  293    HA   CYS  41           HA       CYS  41  -1.646   7.534  -3.273
  294   1HB   CYS  41           HB1      CYS  41  -0.505   8.707  -5.003
  295   2HB   CYS  41           HB2      CYS  41  -1.050   7.585  -6.237
  296    H    ALA  42           HN       ALA  42  -3.870   7.929  -3.743
  297    HA   ALA  42           HA       ALA  42  -5.442   6.140  -5.387
  298   1HB   ALA  42           HB2      ALA  42  -5.003   5.502  -2.513
  299   2HB   ALA  42           HB1      ALA  42  -6.649   5.337  -3.124
  300   3HB   ALA  42           HB3      ALA  42  -5.336   4.422  -3.865
  301    H    ALA  43           HN       ALA  43  -7.852   6.362  -4.627
  302    HA   ALA  43           HA       ALA  43  -8.321   9.233  -4.013
  303   1HB   ALA  43           HB3      ALA  43  -9.085   7.827  -6.231
  304   2HB   ALA  43           HB2      ALA  43 -10.513   7.665  -5.210
  305   3HB   ALA  43           HB1      ALA  43  -9.913   9.267  -5.638
  306    H    THR  44           HN       THR  44  -9.572   5.936  -3.441
  307    HA   THR  44           HA       THR  44 -10.500   6.819  -0.783
  308    HB   THR  44           HB       THR  44 -12.492   7.240  -2.063
  309    HG1  THR  44           HG1      THR  44 -13.056   4.647  -1.229
  310   1HG2  THR  44          HG21      THR  44 -11.855   4.575  -3.331
  311   2HG2  THR  44          HG23      THR  44 -13.455   5.308  -3.447
  312   3HG2  THR  44          HG22      THR  44 -12.054   6.139  -4.122
  313    H    CYS  45           HN       CYS  45 -10.131   5.224   0.674
  314    HA   CYS  45           HA       CYS  45  -8.620   3.056   0.448
  315   1HB   CYS  45           HB1      CYS  45  -9.633   3.817   2.555
  316   2HB   CYS  45           HB2      CYS  45 -11.171   3.116   2.055
  317    HA   PRO  46           HA       PRO  46 -11.117   0.553  -2.379
  318   1HB   PRO  46           HB1      PRO  46  -9.011  -1.003  -3.238
  319   2HB   PRO  46           HB2      PRO  46  -9.406   0.585  -3.915
  320   1HG   PRO  46           HG1      PRO  46  -7.167  -0.199  -2.117
  321   2HG   PRO  46           HG2      PRO  46  -7.287   1.183  -3.214
  322   1HD   PRO  46           HD1      PRO  46  -7.648   1.187  -0.376
  323   2HD   PRO  46           HD2      PRO  46  -7.927   2.541  -1.493
  324    H    SER  47           HN       SER  47 -11.101  -2.029  -2.646
  325    HA   SER  47           HA       SER  47 -10.991  -3.130   0.127
  326   1HB   SER  47           HB1      SER  47 -12.681  -4.706  -0.559
  327   2HB   SER  47           HB2      SER  47 -13.200  -3.113  -1.104
  328    HG   SER  47           HG       SER  47 -13.214  -3.887  -3.031
  329    H    VAL  48           HN       VAL  48 -11.221  -5.881  -0.895
  330    HA   VAL  48           HA       VAL  48  -8.380  -6.246  -1.699
  331    HB   VAL  48           HB       VAL  48 -10.306  -7.988  -0.225
  332   1HG1  VAL  48          HG12      VAL  48  -8.144  -8.784  -1.976
  333   2HG1  VAL  48          HG11      VAL  48  -7.812  -9.270  -0.313
  334   3HG1  VAL  48          HG13      VAL  48  -9.296  -9.799  -1.106
  335   1HG2  VAL  48          HG23      VAL  48  -8.507  -6.106   0.641
  336   2HG2  VAL  48          HG22      VAL  48  -9.085  -7.458   1.615
  337   3HG2  VAL  48          HG21      VAL  48  -7.560  -7.590   0.740
  338    H    ASN  49           HN       ASN  49  -8.933  -5.873  -3.982
  339    HA   ASN  49           HA       ASN  49 -10.874  -7.188  -5.475
  340   1HB   ASN  49           HB1      ASN  49  -9.481  -5.513  -6.510
  341   2HB   ASN  49           HB2      ASN  49  -8.030  -6.480  -6.237
  342   1HD2  ASN  49          HD22      ASN  49  -8.413  -8.054  -9.356
  343   2HD2  ASN  49          HD21      ASN  49  -7.373  -7.425  -8.171
  344    H    THR  50           HN       THR  50  -7.720  -8.378  -6.356
  345    HA   THR  50           HA       THR  50  -8.684 -11.111  -6.410
  346    HB   THR  50           HB       THR  50  -6.902 -10.053  -7.924
  347    HG1  THR  50           HG1      THR  50  -7.343 -12.416  -7.390
  348   1HG2  THR  50          HG21      THR  50  -5.670  -9.612  -5.432
  349   2HG2  THR  50          HG23      THR  50  -4.712 -10.865  -6.219
  350   3HG2  THR  50          HG22      THR  50  -4.976  -9.320  -7.027
  351    H    GLY  51           HN       GLY  51  -5.959 -12.090  -5.374
  352   1HA   GLY  51           HA1      GLY  51  -6.808 -12.328  -2.559
  353   2HA   GLY  51           HA2      GLY  51  -5.495 -13.227  -3.325
  354    H    THR  52           HN       THR  52  -6.073  -9.731  -3.325
  355    HA   THR  52           HA       THR  52  -3.365  -9.346  -2.153
  356    HB   THR  52           HB       THR  52  -5.141  -7.684  -3.951
  357    HG1  THR  52           HG1      THR  52  -3.618  -9.219  -4.788
  358   1HG2  THR  52          HG21      THR  52  -3.139  -6.771  -1.978
  359   2HG2  THR  52          HG23      THR  52  -2.903  -6.155  -3.614
  360   3HG2  THR  52          HG22      THR  52  -4.428  -5.870  -2.777
  361    H    GLU  53           HN       GLU  53  -3.129  -8.055  -0.285
  362    HA   GLU  53           HA       GLU  53  -5.666  -7.509   1.157
  363   1HB   GLU  53           HB1      GLU  53  -2.915  -7.289   2.360
  364   2HB   GLU  53           HB2      GLU  53  -4.443  -7.658   3.160
  365   1HG   GLU  53           HG1      GLU  53  -4.044  -9.643   1.165
  366   2HG   GLU  53           HG2      GLU  53  -2.522  -9.478   2.038
  367    H    ILE  54           HN       ILE  54  -6.329  -5.472   0.415
  368    HA   ILE  54           HA       ILE  54  -4.307  -3.306   0.384
  369    HB   ILE  54           HB       ILE  54  -6.650  -3.896  -1.154
  370   1HG1  ILE  54          HG11      ILE  54  -5.809  -1.682  -2.280
  371   2HG1  ILE  54          HG12      ILE  54  -4.480  -1.819  -1.128
  372   1HG2  ILE  54          HG23      ILE  54  -6.804  -1.292   0.389
  373   2HG2  ILE  54          HG22      ILE  54  -7.710  -1.602  -1.092
  374   3HG2  ILE  54          HG21      ILE  54  -8.008  -2.579   0.348
  375   1HD1  ILE  54          HD13      ILE  54  -5.335  -4.071  -2.966
  376   2HD1  ILE  54          HD11      ILE  54  -4.048  -2.931  -3.359
  377   3HD1  ILE  54          HD12      ILE  54  -3.884  -4.001  -1.966
  378    H    LYS  55           HN       LYS  55  -4.948  -1.225   1.452
  379    HA   LYS  55           HA       LYS  55  -6.916  -1.437   3.619
  380   1HB   LYS  55           HB1      LYS  55  -5.440  -2.045   5.213
  381   2HB   LYS  55           HB2      LYS  55  -4.112  -1.980   4.063
  382   1HG   LYS  55           HG1      LYS  55  -3.920   0.470   4.454
  383   2HG   LYS  55           HG2      LYS  55  -5.208   0.361   5.654
  384   1HD   LYS  55           HD1      LYS  55  -3.096  -1.612   6.099
  385   2HD   LYS  55           HD2      LYS  55  -2.491   0.044   6.153
  386   1HE   LYS  55           HE1      LYS  55  -3.804   0.605   7.980
  387   2HE   LYS  55           HE2      LYS  55  -5.042  -0.588   7.588
  388   1HZ   LYS  55           HZ3      LYS  55  -3.017  -2.201   8.053
  389   2HZ   LYS  55           HZ1      LYS  55  -2.542  -0.914   9.051
  390   3HZ   LYS  55           HZ2      LYS  55  -4.049  -1.662   9.291
  391    H    CYS  56           HN       CYS  56  -6.850   0.732   4.903
  392    HA   CYS  56           HA       CYS  56  -6.610   2.901   2.884
  393   1HB   CYS  56           HB1      CYS  56  -7.787   3.481   5.550
  394   2HB   CYS  56           HB2      CYS  56  -8.352   3.951   3.949
  395    H    CYS  57           HN       CYS  57  -4.895   4.240   3.021
  396    HA   CYS  57           HA       CYS  57  -3.661   4.735   5.687
  397   1HB   CYS  57           HB1      CYS  57  -2.371   2.938   4.647
  398   2HB   CYS  57           HB2      CYS  57  -2.195   3.887   3.174
  399    H    SER  58           HN       SER  58  -2.556   6.741   5.814
  400    HA   SER  58           HA       SER  58  -2.689   8.458   3.421
  401   1HB   SER  58           HB1      SER  58  -4.386   8.708   5.763
  402   2HB   SER  58           HB2      SER  58  -3.438  10.168   5.497
  403    HG   SER  58           HG       SER  58  -4.212  10.283   3.409
  404    H    ALA  59           HN       ALA  59  -0.936   7.322   5.995
  405    HA   ALA  59           HA       ALA  59   1.198   9.231   5.437
  406   1HB   ALA  59           HB1      ALA  59  -0.265   9.330   8.083
  407   2HB   ALA  59           HB3      ALA  59   1.356   9.987   7.858
  408   3HB   ALA  59           HB2      ALA  59  -0.001  10.656   6.950
  409    H    ASP  60           HN       ASP  60   1.491   8.266   8.619
  410    HA   ASP  60           HA       ASP  60   3.135   5.940   7.807
  411   1HB   ASP  60           HB1      ASP  60   4.263   7.625   9.212
  412   2HB   ASP  60           HB2      ASP  60   2.995   7.474  10.428
  413    H    LYS  61           HN       LYS  61   0.238   5.961   7.864
  414    HA   LYS  61           HA       LYS  61  -0.308   4.133  10.113
  415   1HB   LYS  61           HB1      LYS  61  -2.604   4.689   9.946
  416   2HB   LYS  61           HB2      LYS  61  -1.743   6.217   9.751
  417   1HG   LYS  61           HG1      LYS  61  -1.833   5.835   7.266
  418   2HG   LYS  61           HG2      LYS  61  -2.909   4.473   7.569
  419   1HD   LYS  61           HD1      LYS  61  -3.578   7.098   8.841
  420   2HD   LYS  61           HD2      LYS  61  -3.875   6.921   7.112
  421   1HE   LYS  61           HE1      LYS  61  -4.787   4.543   8.406
  422   2HE   LYS  61           HE2      LYS  61  -5.443   5.923   9.288
  423   1HZ   LYS  61           HZ3      LYS  61  -5.532   5.857   6.345
  424   2HZ   LYS  61           HZ1      LYS  61  -6.706   5.034   7.251
  425   3HZ   LYS  61           HZ2      LYS  61  -6.522   6.713   7.427
  426    H    CYS  62           HN       CYS  62   0.678   3.968   7.035
  427    HA   CYS  62           HA       CYS  62  -1.074   2.194   5.720
  428   1HB   CYS  62           HB1      CYS  62   1.951   2.357   5.639
  429   2HB   CYS  62           HB2      CYS  62   0.991   1.392   4.523
  430    H    ASN  63           HN       ASN  63   1.048   1.665   8.418
  431    HA   ASN  63           HA       ASN  63   0.261  -1.202   8.408
  432   1HB   ASN  63           HB1      ASN  63   2.493  -1.655   9.471
  433   2HB   ASN  63           HB2      ASN  63   2.603  -1.101   7.803
  434   1HD2  ASN  63          HD22      ASN  63   4.708   1.543   8.765
  435   2HD2  ASN  63          HD21      ASN  63   4.309   0.357   7.619
  436    H    THR  64           HN       THR  64  -1.382   0.406   9.746
  437    HA   THR  64           HA       THR  64  -0.843  -0.258  12.559
  438    HB   THR  64           HB       THR  64  -1.672   2.487  12.540
  439    HG1  THR  64           HG1      THR  64   0.439   3.221  11.741
  440   1HG2  THR  64          HG23      THR  64   0.329   0.681  13.725
  441   2HG2  THR  64          HG22      THR  64   0.828   2.370  13.634
  442   3HG2  THR  64          HG21      THR  64  -0.652   1.932  14.488
  443    H    TYR  65           HN       TYR  65  -2.800   0.588  13.911
  444    HA   TYR  65           HA       TYR  65  -5.089   0.108  14.258
  445   1HB   TYR  65           HB1      TYR  65  -5.274   2.418  13.909
  446   2HB   TYR  65           HB2      TYR  65  -4.838   2.288  12.210
  447    HD1  TYR  65           HD2      TYR  65  -7.456   0.945  14.553
  448    HD2  TYR  65           HD1      TYR  65  -6.573   2.555  10.668
  449    HE1  TYR  65           HE2      TYR  65  -9.862   0.829  13.958
  450    HE2  TYR  65           HE1      TYR  65  -8.979   2.439  10.072
  451    HH   TYR  65           HH       TYR  65 -11.420   1.523  12.460
  452    HA   PRO  66           HA       PRO  66  -5.531  -2.744  10.662
  453   1HB   PRO  66           HB1      PRO  66  -5.706  -5.016  12.207
  454   2HB   PRO  66           HB2      PRO  66  -4.179  -4.356  11.595
  455   1HG   PRO  66           HG1      PRO  66  -5.319  -4.266  14.359
  456   2HG   PRO  66           HG2      PRO  66  -3.625  -4.226  13.846
  457   1HD   PRO  66           HD1      PRO  66  -5.190  -1.998  14.656
  458   2HD   PRO  66           HD2      PRO  66  -3.610  -1.927  13.846
   
  No H/Q in entry =         458
  Start of MODEL    2
    1   1H    ARG   1           HT2      ARG   1   2.053  15.738  -0.941
    2   2H    ARG   1           HT3      ARG   1   3.033  16.121  -2.276
    3   3H    ARG   1           HT1      ARG   1   1.621  15.208  -2.496
    4    HA   ARG   1           HA       ARG   1   2.940  13.450  -2.419
    5   1HB   ARG   1           HB1      ARG   1   4.932  14.773  -2.719
    6   2HB   ARG   1           HB2      ARG   1   4.885  15.311  -1.038
    7   1HG   ARG   1           HG1      ARG   1   4.775  12.487  -1.009
    8   2HG   ARG   1           HG2      ARG   1   6.058  12.939  -2.132
    9   1HD   ARG   1           HD1      ARG   1   6.715  14.638  -0.228
   10   2HD   ARG   1           HD2      ARG   1   5.799  13.537   0.801
   11    HE   ARG   1           HE       ARG   1   7.640  12.023  -0.784
   12   1HH1  ARG   1          HH11      ARG   1   6.997  12.903   2.327
   13   2HH1  ARG   1          HH12      ARG   1   8.639  12.939   2.875
   14   1HH2  ARG   1          HH21      ARG   1   9.987  12.657  -0.307
   15   2HH2  ARG   1          HH22      ARG   1  10.332  12.799   1.384
   16    H    GLU   2           HN       GLU   2   2.034  11.950  -1.087
   17    HA   GLU   2           HA       GLU   2   2.400  12.283   1.854
   18   1HB   GLU   2           HB1      GLU   2  -0.117  11.411   0.403
   19   2HB   GLU   2           HB2      GLU   2   0.121  11.276   2.147
   20   1HG   GLU   2           HG1      GLU   2   0.826  13.900   1.641
   21   2HG   GLU   2           HG2      GLU   2  -0.509  13.638   0.517
   22    H    CYS   3           HN       CYS   3   1.949  10.055   2.946
   23    HA   CYS   3           HA       CYS   3   2.243   7.729   3.027
   24   1HB   CYS   3           HB1      CYS   3   2.912   7.716   0.082
   25   2HB   CYS   3           HB2      CYS   3   2.269   6.404   1.067
   26    H    TYR   4           HN       TYR   4   4.539   8.857   0.540
   27    HA   TYR   4           HA       TYR   4   6.875   8.460   0.444
   28   1HB   TYR   4           HB1      TYR   4   7.893   9.588   2.627
   29   2HB   TYR   4           HB2      TYR   4   7.075  10.564   1.410
   30    HD1  TYR   4           HD1      TYR   4   6.752   8.975   4.742
   31    HD2  TYR   4           HD2      TYR   4   4.872  11.531   1.844
   32    HE1  TYR   4           HE1      TYR   4   5.084   9.674   6.441
   33    HE2  TYR   4           HE2      TYR   4   3.204  12.230   3.543
   34    HH   TYR   4           HH       TYR   4   3.332  12.273   6.334
   35    H    LEU   5           HN       LEU   5   8.754   8.027   2.505
   36    HA   LEU   5           HA       LEU   5   9.656   6.259   3.739
   37   1HB   LEU   5           HB1      LEU   5   6.761   6.139   4.403
   38   2HB   LEU   5           HB2      LEU   5   7.838   4.899   5.014
   39    HG   LEU   5           HG       LEU   5   8.244   7.891   5.360
   40   1HD1  LEU   5          HD13      LEU   5   6.623   5.953   6.831
   41   2HD1  LEU   5          HD12      LEU   5   7.834   6.720   7.859
   42   3HD1  LEU   5          HD11      LEU   5   6.673   7.710   6.977
   43   1HD2  LEU   5          HD22      LEU   5   9.715   5.419   6.276
   44   2HD2  LEU   5          HD23      LEU   5  10.365   6.868   5.510
   45   3HD2  LEU   5          HD21      LEU   5   9.830   6.924   7.190
   46    H    ASN   6           HN       ASN   6  10.296   5.242   1.678
   47    HA   ASN   6           HA       ASN   6   8.541   2.908   1.062
   48   1HB   ASN   6           HB1      ASN   6   8.591   4.563  -0.774
   49   2HB   ASN   6           HB2      ASN   6  10.345   4.384  -0.866
   50   1HD2  ASN   6          HD22      ASN   6   7.922   1.538  -2.499
   51   2HD2  ASN   6          HD21      ASN   6   7.268   2.855  -1.651
   52    HA   PRO   7           HA       PRO   7  12.747   1.292   2.188
   53   1HB   PRO   7           HB1      PRO   7  11.944  -0.074   4.440
   54   2HB   PRO   7           HB2      PRO   7  12.560   1.589   4.477
   55   1HG   PRO   7           HG1      PRO   7   9.749   0.589   4.742
   56   2HG   PRO   7           HG2      PRO   7  10.483   2.058   5.409
   57   1HD   PRO   7           HD1      PRO   7   8.818   1.918   3.117
   58   2HD   PRO   7           HD2      PRO   7   9.838   3.294   3.589
   59    H    HIS   8           HN       HIS   8   9.475  -0.012   2.336
   60    HA   HIS   8           HA       HIS   8  10.178  -2.190   0.539
   61   1HB   HIS   8           HB1      HIS   8  10.834  -3.313   2.566
   62   2HB   HIS   8           HB2      HIS   8   9.413  -2.725   3.425
   63    HD1  HIS   8           HD1      HIS   8   7.240  -4.037   3.167
   64    HD2  HIS   8           HD2      HIS   8  10.252  -5.407   0.633
   65    HE1  HIS   8           HE1      HIS   8   6.356  -6.155   2.091
   66    H    ASP   9           HN       ASP   9   8.417   0.140   0.697
   67    HA   ASP   9           HA       ASP   9   6.151  -0.819  -0.627
   68   1HB   ASP   9           HB1      ASP   9   4.414  -0.614   1.231
   69   2HB   ASP   9           HB2      ASP   9   5.459  -2.025   1.346
   70    H    THR  10           HN       THR  10   4.109   0.858   0.190
   71    HA   THR  10           HA       THR  10   3.394   3.074   0.297
   72    HB   THR  10           HB       THR  10   6.024   4.326   0.683
   73    HG1  THR  10           HG1      THR  10   5.143   2.762   2.819
   74   1HG2  THR  10          HG22      THR  10   3.268   4.387   1.751
   75   2HG2  THR  10          HG21      THR  10   4.536   4.764   2.916
   76   3HG2  THR  10          HG23      THR  10   4.387   5.713   1.436
   77    H    GLN  11           HN       GLN  11   4.019   5.328  -0.735
   78    HA   GLN  11           HA       GLN  11   5.707   5.542  -2.968
   79   1HB   GLN  11           HB1      GLN  11   4.488   3.839  -4.119
   80   2HB   GLN  11           HB2      GLN  11   2.942   4.486  -3.574
   81   1HG   GLN  11           HG1      GLN  11   2.833   5.879  -5.335
   82   2HG   GLN  11           HG2      GLN  11   4.440   6.517  -4.988
   83   1HE2  GLN  11          HE22      GLN  11   5.943   4.716  -7.615
   84   2HE2  GLN  11          HE21      GLN  11   6.077   5.945  -6.452
   85    H    THR  12           HN       THR  12   5.906   7.706  -2.546
   86    HA   THR  12           HA       THR  12   4.181   9.498  -1.450
   87    HB   THR  12           HB       THR  12   5.353  11.267  -2.591
   88    HG1  THR  12           HG1      THR  12   6.789  10.604  -4.338
   89   1HG2  THR  12          HG21      THR  12   6.581   9.833  -0.916
   90   2HG2  THR  12          HG23      THR  12   7.269   8.947  -2.277
   91   3HG2  THR  12          HG22      THR  12   7.624  10.661  -2.072
   92    H    CYS  13           HN       CYS  13   2.947  11.292  -2.477
   93    HA   CYS  13           HA       CYS  13   1.585  10.607  -5.017
   94   1HB   CYS  13           HB1      CYS  13   0.106   9.608  -3.400
   95   2HB   CYS  13           HB2      CYS  13   0.234  11.003  -2.332
   96    HA   PRO  14           HA       PRO  14   2.549  15.100  -4.349
   97   1HB   PRO  14           HB1      PRO  14   4.197  15.341  -6.543
   98   2HB   PRO  14           HB2      PRO  14   4.772  14.916  -4.921
   99   1HG   PRO  14           HG1      PRO  14   4.415  13.179  -7.330
  100   2HG   PRO  14           HG2      PRO  14   5.530  12.987  -5.968
  101   1HD   PRO  14           HD1      PRO  14   3.084  11.590  -6.353
  102   2HD   PRO  14           HD2      PRO  14   4.042  11.630  -4.858
  103    H    SER  15           HN       SER  15   1.525  13.136  -7.062
  104    HA   SER  15           HA       SER  15  -0.133  15.422  -8.017
  105   1HB   SER  15           HB1      SER  15   0.426  15.042 -10.297
  106   2HB   SER  15           HB2      SER  15   1.968  15.032  -9.445
  107    HG   SER  15           HG       SER  15   2.077  12.871  -9.581
  108    H    GLY  16           HN       GLY  16  -2.239  14.804  -8.151
  109   1HA   GLY  16           HA1      GLY  16  -3.699  13.000  -9.282
  110   2HA   GLY  16           HA2      GLY  16  -2.811  11.872  -8.256
  111    H    GLN  17           HN       GLN  17  -4.624  11.220  -7.040
  112    HA   GLN  17           HA       GLN  17  -6.470  13.091  -5.841
  113   1HB   GLN  17           HB1      GLN  17  -5.852  10.218  -5.087
  114   2HB   GLN  17           HB2      GLN  17  -7.268  11.135  -4.570
  115   1HG   GLN  17           HG1      GLN  17  -6.840  11.152  -7.481
  116   2HG   GLN  17           HG2      GLN  17  -7.153   9.548  -6.819
  117   1HE2  GLN  17          HE22      GLN  17 -10.427  11.276  -7.547
  118   2HE2  GLN  17          HE21      GLN  17  -9.064  10.914  -8.492
  119    H    GLU  18           HN       GLU  18  -6.521  12.065  -3.141
  120    HA   GLU  18           HA       GLU  18  -3.898  12.990  -2.064
  121   1HB   GLU  18           HB1      GLU  18  -6.617  13.902  -1.072
  122   2HB   GLU  18           HB2      GLU  18  -5.055  14.371  -0.400
  123   1HG   GLU  18           HG1      GLU  18  -5.130  14.822  -3.268
  124   2HG   GLU  18           HG2      GLU  18  -6.453  15.667  -2.463
  125    H    ILE  19           HN       ILE  19  -5.792  10.448  -2.289
  126    HA   ILE  19           HA       ILE  19  -5.763   9.700   0.597
  127    HB   ILE  19           HB       ILE  19  -6.910   8.107  -1.689
  128   1HG1  ILE  19          HG11      ILE  19  -7.721  10.690  -0.963
  129   2HG1  ILE  19          HG12      ILE  19  -8.658   9.530  -1.891
  130   1HG2  ILE  19          HG21      ILE  19  -7.299   8.155   1.311
  131   2HG2  ILE  19          HG22      ILE  19  -8.397   7.305   0.223
  132   3HG2  ILE  19          HG23      ILE  19  -6.700   6.828   0.317
  133   1HD1  ILE  19          HD11      ILE  19  -8.685   9.669   1.137
  134   2HD1  ILE  19          HD12      ILE  19  -9.871  10.472   0.108
  135   3HD1  ILE  19          HD13      ILE  19  -9.751   8.713   0.108
  136    H    CYS  20           HN       CYS  20  -4.939   7.567   1.121
  137    HA   CYS  20           HA       CYS  20  -2.816   6.646  -0.773
  138   1HB   CYS  20           HB1      CYS  20  -2.119   7.996   1.387
  139   2HB   CYS  20           HB2      CYS  20  -2.417   6.459   2.196
  140    H    TYR  21           HN       TYR  21  -3.296   4.569  -1.368
  141    HA   TYR  21           HA       TYR  21  -4.795   2.906   0.610
  142   1HB   TYR  21           HB1      TYR  21  -5.641   1.636  -1.177
  143   2HB   TYR  21           HB2      TYR  21  -5.585   3.258  -1.864
  144    HD1  TYR  21           HD1      TYR  21  -3.676   3.912  -3.365
  145    HD2  TYR  21           HD2      TYR  21  -4.265  -0.119  -2.006
  146    HE1  TYR  21           HE1      TYR  21  -2.163   3.089  -5.152
  147    HE2  TYR  21           HE2      TYR  21  -2.758  -0.944  -3.794
  148    HH   TYR  21           HH       TYR  21  -1.878   0.846  -6.426
  149    H    VAL  22           HN       VAL  22  -3.962   0.715   1.031
  150    HA   VAL  22           HA       VAL  22  -1.053   0.508   0.361
  151    HB   VAL  22           HB       VAL  22  -0.611  -0.339   2.556
  152   1HG1  VAL  22          HG13      VAL  22  -2.526   2.014   2.631
  153   2HG1  VAL  22          HG12      VAL  22  -1.532   1.519   4.000
  154   3HG1  VAL  22          HG11      VAL  22  -0.768   2.080   2.514
  155   1HG2  VAL  22          HG23      VAL  22  -3.557  -0.733   2.564
  156   2HG2  VAL  22          HG22      VAL  22  -2.283  -1.747   3.244
  157   3HG2  VAL  22          HG21      VAL  22  -2.813  -0.302   4.104
  158    H    LYS  23           HN       LYS  23  -0.800  -1.146  -1.032
  159    HA   LYS  23           HA       LYS  23  -2.496  -3.583  -0.686
  160   1HB   LYS  23           HB1      LYS  23  -1.687  -4.075  -3.076
  161   2HB   LYS  23           HB2      LYS  23  -2.823  -2.741  -2.891
  162   1HG   LYS  23           HG1      LYS  23  -1.053  -1.113  -3.050
  163   2HG   LYS  23           HG2      LYS  23   0.186  -2.361  -2.940
  164   1HD   LYS  23           HD1      LYS  23  -0.759  -3.338  -5.079
  165   2HD   LYS  23           HD2      LYS  23  -1.759  -1.890  -5.211
  166   1HE   LYS  23           HE1      LYS  23   0.283  -0.491  -5.173
  167   2HE   LYS  23           HE2      LYS  23   1.273  -1.945  -5.059
  168   1HZ   LYS  23           HZ2      LYS  23  -0.011  -2.631  -7.172
  169   2HZ   LYS  23           HZ3      LYS  23  -0.338  -0.970  -7.321
  170   3HZ   LYS  23           HZ1      LYS  23   1.267  -1.520  -7.306
  171    H    SER  24           HN       SER  24  -1.456  -5.393   0.059
  172    HA   SER  24           HA       SER  24   1.486  -5.582  -0.386
  173   1HB   SER  24           HB1      SER  24   1.475  -6.635   2.017
  174   2HB   SER  24           HB2      SER  24   1.494  -4.883   1.842
  175    HG   SER  24           HG       SER  24  -0.283  -4.888   2.918
  176    H    TRP  25           HN       TRP  25   1.737  -7.411  -1.611
  177    HA   TRP  25           HA       TRP  25   0.491  -9.932  -0.604
  178   1HB   TRP  25           HB1      TRP  25  -0.397 -10.486  -2.812
  179   2HB   TRP  25           HB2      TRP  25  -1.061  -8.933  -2.287
  180    HD1  TRP  25           HD1      TRP  25   1.067 -10.485  -4.948
  181    HE1  TRP  25           HE1      TRP  25   1.869  -8.642  -6.577
  182    HE3  TRP  25           HE3      TRP  25  -0.254  -6.443  -2.262
  183    HZ2  TRP  25           HZ2      TRP  25   1.949  -5.749  -6.656
  184    HZ3  TRP  25           HZ3      TRP  25   0.206  -4.197  -3.050
  185    HH2  TRP  25           HH2      TRP  25   1.301  -3.798  -5.253
  186    H    CYS  26           HN       CYS  26   1.354 -11.860  -1.839
  187    HA   CYS  26           HA       CYS  26   4.006 -11.362  -3.109
  188   1HB   CYS  26           HB1      CYS  26   4.736 -12.038  -0.972
  189   2HB   CYS  26           HB2      CYS  26   3.385 -13.147  -0.757
  190    H    ASN  27           HN       ASN  27   4.468 -12.873  -4.776
  191    HA   ASN  27           HA       ASN  27   2.151 -14.606  -5.510
  192   1HB   ASN  27           HB1      ASN  27   3.034 -14.490  -7.818
  193   2HB   ASN  27           HB2      ASN  27   2.722 -12.879  -7.174
  194   1HD2  ASN  27          HD22      ASN  27   6.106 -12.756  -8.694
  195   2HD2  ASN  27          HD21      ASN  27   4.516 -12.965  -9.252
  196    H    ALA  28           HN       ALA  28   3.598 -16.222  -7.379
  197    HA   ALA  28           HA       ALA  28   4.918 -18.013  -5.455
  198   1HB   ALA  28           HB3      ALA  28   3.292 -18.505  -7.584
  199   2HB   ALA  28           HB2      ALA  28   4.878 -18.759  -8.313
  200   3HB   ALA  28           HB1      ALA  28   4.398 -19.697  -6.899
  201    H    TRP  29           HN       TRP  29   6.179 -15.439  -6.459
  202    HA   TRP  29           HA       TRP  29   8.693 -16.683  -7.465
  203   1HB   TRP  29           HB1      TRP  29   7.647 -13.968  -8.203
  204   2HB   TRP  29           HB2      TRP  29   9.046 -14.783  -8.862
  205    HD1  TRP  29           HD1      TRP  29   5.309 -15.796  -8.388
  206    HE1  TRP  29           HE1      TRP  29   4.549 -16.914 -10.595
  207    HE3  TRP  29           HE3      TRP  29   9.608 -15.452 -10.997
  208    HZ2  TRP  29           HZ2      TRP  29   5.674 -17.578 -13.168
  209    HZ3  TRP  29           HZ3      TRP  29   9.790 -16.327 -13.332
  210    HH2  TRP  29           HH2      TRP  29   7.820 -17.390 -14.413
  211    H    CYS  30           HN       CYS  30   7.387 -15.097  -4.817
  212    HA   CYS  30           HA       CYS  30   9.411 -13.152  -4.269
  213   1HB   CYS  30           HB1      CYS  30   7.955 -14.654  -2.114
  214   2HB   CYS  30           HB2      CYS  30   8.469 -12.976  -2.144
  215    H    SER  31           HN       SER  31   9.752 -16.466  -4.543
  216    HA   SER  31           HA       SER  31  11.150 -17.471  -2.414
  217   1HB   SER  31           HB1      SER  31  10.882 -18.294  -4.956
  218   2HB   SER  31           HB2      SER  31  12.552 -17.737  -5.033
  219    HG   SER  31           HG       SER  31  13.162 -19.207  -3.609
  220    H    SER  32           HN       SER  32  12.193 -15.880  -1.194
  221    HA   SER  32           HA       SER  32  13.791 -14.232  -0.677
  222   1HB   SER  32           HB1      SER  32  15.719 -15.876  -2.260
  223   2HB   SER  32           HB2      SER  32  15.943 -15.096  -0.697
  224    HG   SER  32           HG       SER  32  14.500 -16.616   0.200
  225    H    ARG  33           HN       ARG  33  12.586 -12.969  -2.331
  226    HA   ARG  33           HA       ARG  33  14.560 -11.933  -4.311
  227   1HB   ARG  33           HB1      ARG  33  11.911 -13.112  -4.890
  228   2HB   ARG  33           HB2      ARG  33  12.228 -11.568  -5.682
  229   1HG   ARG  33           HG1      ARG  33  14.559 -13.298  -5.803
  230   2HG   ARG  33           HG2      ARG  33  13.147 -14.095  -6.498
  231   1HD   ARG  33           HD1      ARG  33  13.771 -12.917  -8.362
  232   2HD   ARG  33           HD2      ARG  33  12.859 -11.629  -7.577
  233    HE   ARG  33           HE       ARG  33  15.814 -11.885  -7.190
  234   1HH1  ARG  33          HH21      ARG  33  13.311 -10.275  -8.815
  235   2HH1  ARG  33          HH22      ARG  33  13.936  -8.684  -8.537
  236   1HH2  ARG  33          HH11      ARG  33  16.485  -9.765  -6.448
  237   2HH2  ARG  33          HH12      ARG  33  15.734  -8.395  -7.196
  238    H    GLY  34           HN       GLY  34  11.223 -10.903  -4.250
  239   1HA   GLY  34           HA1      GLY  34  11.488  -8.823  -2.294
  240   2HA   GLY  34           HA2      GLY  34  11.806  -8.173  -3.904
  241    H    LYS  35           HN       LYS  35   9.389  -9.787  -1.893
  242    HA   LYS  35           HA       LYS  35   7.249 -10.110  -3.617
  243   1HB   LYS  35           HB1      LYS  35   7.095  -8.858  -0.856
  244   2HB   LYS  35           HB2      LYS  35   5.770  -9.649  -1.711
  245   1HG   LYS  35           HG1      LYS  35   6.569 -11.740  -1.260
  246   2HG   LYS  35           HG2      LYS  35   8.249 -11.249  -1.472
  247   1HD   LYS  35           HD1      LYS  35   8.342 -10.315   0.734
  248   2HD   LYS  35           HD2      LYS  35   6.594 -10.436   0.931
  249   1HE   LYS  35           HE1      LYS  35   6.661 -12.749   1.239
  250   2HE   LYS  35           HE2      LYS  35   8.187 -12.920   0.373
  251   1HZ   LYS  35           HZ3      LYS  35   8.910 -11.351   2.408
  252   2HZ   LYS  35           HZ1      LYS  35   7.701 -12.277   3.153
  253   3HZ   LYS  35           HZ2      LYS  35   9.032 -13.045   2.428
  254    H    VAL  36           HN       VAL  36   5.334  -8.643  -3.954
  255    HA   VAL  36           HA       VAL  36   6.299  -5.910  -4.641
  256    HB   VAL  36           HB       VAL  36   3.581  -6.798  -5.441
  257   1HG1  VAL  36          HG12      VAL  36   5.911  -5.507  -6.886
  258   2HG1  VAL  36          HG11      VAL  36   4.304  -5.748  -7.571
  259   3HG1  VAL  36          HG13      VAL  36   4.524  -4.667  -6.194
  260   1HG2  VAL  36          HG21      VAL  36   6.106  -8.061  -6.539
  261   2HG2  VAL  36          HG23      VAL  36   4.764  -8.893  -5.755
  262   3HG2  VAL  36          HG22      VAL  36   4.534  -8.143  -7.334
  263    H    LEU  37           HN       LEU  37   6.140  -5.534  -2.200
  264    HA   LEU  37           HA       LEU  37   3.337  -5.069  -1.355
  265   1HB   LEU  37           HB1      LEU  37   5.841  -5.855  -0.003
  266   2HB   LEU  37           HB2      LEU  37   4.818  -4.729   0.890
  267    HG   LEU  37           HG       LEU  37   2.918  -6.217   0.602
  268   1HD1  LEU  37          HD12      LEU  37   3.594  -7.124  -1.609
  269   2HD1  LEU  37          HD11      LEU  37   4.844  -8.074  -0.807
  270   3HD1  LEU  37          HD13      LEU  37   3.142  -8.395  -0.476
  271   1HD2  LEU  37          HD23      LEU  37   4.403  -6.583   2.534
  272   2HD2  LEU  37          HD22      LEU  37   3.665  -8.089   1.987
  273   3HD2  LEU  37          HD21      LEU  37   5.341  -7.727   1.574
  274    H    GLU  38           HN       GLU  38   2.958  -3.014  -2.258
  275    HA   GLU  38           HA       GLU  38   4.404  -0.824  -0.882
  276   1HB   GLU  38           HB1      GLU  38   3.978   0.324  -3.324
  277   2HB   GLU  38           HB2      GLU  38   5.523  -0.336  -2.790
  278   1HG   GLU  38           HG1      GLU  38   5.062  -2.454  -3.872
  279   2HG   GLU  38           HG2      GLU  38   3.406  -1.964  -4.235
  280    H    PHE  39           HN       PHE  39   3.239   1.280  -1.342
  281    HA   PHE  39           HA       PHE  39   0.316   0.830  -1.483
  282   1HB   PHE  39           HB1      PHE  39   1.575   2.951   0.252
  283   2HB   PHE  39           HB2      PHE  39  -0.030   2.236   0.385
  284    HD1  PHE  39           HD1      PHE  39   0.442  -0.614   0.212
  285    HD2  PHE  39           HD2      PHE  39   2.774   2.385   2.218
  286    HE1  PHE  39           HE1      PHE  39   1.334  -2.342   1.745
  287    HE2  PHE  39           HE2      PHE  39   3.670   0.651   3.757
  288    HZ   PHE  39           HZ       PHE  39   2.952  -1.721   3.516
  289    H    GLY  40           HN       GLY  40  -0.534   3.441  -1.643
  290   1HA   GLY  40           HA1      GLY  40   1.186   5.061  -3.299
  291   2HA   GLY  40           HA2      GLY  40   0.038   4.162  -4.289
  292    H    CYS  41           HN       CYS  41  -0.877   6.234  -4.887
  293    HA   CYS  41           HA       CYS  41  -2.299   7.701  -2.749
  294   1HB   CYS  41           HB1      CYS  41  -0.905   8.701  -4.736
  295   2HB   CYS  41           HB2      CYS  41  -2.354   8.397  -5.669
  296    H    ALA  42           HN       ALA  42  -4.527   8.499  -3.796
  297    HA   ALA  42           HA       ALA  42  -6.050   6.888  -5.510
  298   1HB   ALA  42           HB3      ALA  42  -5.539   5.646  -2.902
  299   2HB   ALA  42           HB2      ALA  42  -7.250   5.733  -3.316
  300   3HB   ALA  42           HB1      ALA  42  -6.121   4.919  -4.399
  301    H    ALA  43           HN       ALA  43  -8.487   6.838  -4.680
  302    HA   ALA  43           HA       ALA  43  -9.060   9.582  -3.696
  303   1HB   ALA  43           HB2      ALA  43  -9.778   8.763  -6.059
  304   2HB   ALA  43           HB1      ALA  43 -11.019   7.857  -5.192
  305   3HB   ALA  43           HB3      ALA  43 -10.965   9.616  -5.071
  306    H    THR  44           HN       THR  44 -10.164   6.189  -3.483
  307    HA   THR  44           HA       THR  44 -11.101   6.770  -0.733
  308    HB   THR  44           HB       THR  44 -13.110   7.101  -2.061
  309    HG1  THR  44           HG1      THR  44 -13.938   6.044  -0.457
  310   1HG2  THR  44          HG22      THR  44 -11.942   4.981  -3.632
  311   2HG2  THR  44          HG21      THR  44 -13.593   4.554  -3.182
  312   3HG2  THR  44          HG23      THR  44 -13.276   6.058  -4.045
  313    H    CYS  45           HN       CYS  45 -10.640   5.091   0.614
  314    HA   CYS  45           HA       CYS  45  -8.930   3.082   0.181
  315   1HB   CYS  45           HB1      CYS  45 -10.017   3.705   2.353
  316   2HB   CYS  45           HB2      CYS  45 -11.411   2.750   1.864
  317    HA   PRO  46           HA       PRO  46 -11.206   0.455  -2.652
  318   1HB   PRO  46           HB1      PRO  46  -9.120  -1.264  -3.169
  319   2HB   PRO  46           HB2      PRO  46  -9.298   0.326  -3.930
  320   1HG   PRO  46           HG1      PRO  46  -7.374  -0.557  -1.849
  321   2HG   PRO  46           HG2      PRO  46  -7.278   0.830  -2.941
  322   1HD   PRO  46           HD1      PRO  46  -8.051   0.811  -0.164
  323   2HD   PRO  46           HD2      PRO  46  -7.999   2.203  -1.266
  324    H    SER  47           HN       SER  47 -11.953  -1.810  -2.661
  325    HA   SER  47           HA       SER  47 -11.349  -3.304  -0.148
  326   1HB   SER  47           HB1      SER  47 -13.661  -1.961  -0.396
  327   2HB   SER  47           HB2      SER  47 -14.117  -3.439  -1.238
  328    HG   SER  47           HG       SER  47 -13.557  -4.633   0.558
  329    H    VAL  48           HN       VAL  48 -10.148  -3.843  -2.627
  330    HA   VAL  48           HA       VAL  48 -11.624  -6.226  -3.625
  331    HB   VAL  48           HB       VAL  48  -9.250  -4.897  -4.862
  332   1HG1  VAL  48          HG13      VAL  48  -9.716  -7.228  -5.551
  333   2HG1  VAL  48          HG12      VAL  48 -11.357  -6.752  -5.987
  334   3HG1  VAL  48          HG11      VAL  48  -9.982  -6.096  -6.875
  335   1HG2  VAL  48          HG23      VAL  48 -11.872  -3.868  -4.611
  336   2HG2  VAL  48          HG22      VAL  48 -10.578  -3.249  -5.637
  337   3HG2  VAL  48          HG21      VAL  48 -11.715  -4.438  -6.273
  338    H    ASN  49           HN       ASN  49 -11.005  -7.834  -2.158
  339    HA   ASN  49           HA       ASN  49  -8.224  -8.085  -1.352
  340   1HB   ASN  49           HB1      ASN  49 -10.109  -8.622   0.193
  341   2HB   ASN  49           HB2      ASN  49 -10.530  -9.978  -0.855
  342   1HD2  ASN  49          HD22      ASN  49  -8.339 -11.434   1.731
  343   2HD2  ASN  49          HD21      ASN  49  -9.917 -10.818   1.625
  344    H    THR  50           HN       THR  50  -8.539  -8.307  -4.176
  345    HA   THR  50           HA       THR  50  -8.669 -11.064  -5.013
  346    HB   THR  50           HB       THR  50  -9.036  -9.386  -6.684
  347    HG1  THR  50           HG1      THR  50  -7.686 -11.233  -7.250
  348   1HG2  THR  50          HG23      THR  50  -6.897  -8.056  -5.279
  349   2HG2  THR  50          HG22      THR  50  -6.538  -8.110  -7.005
  350   3HG2  THR  50          HG21      THR  50  -8.043  -7.385  -6.441
  351    H    GLY  51           HN       GLY  51  -7.235 -12.134  -3.483
  352   1HA   GLY  51           HA1      GLY  51  -5.145 -12.876  -2.684
  353   2HA   GLY  51           HA2      GLY  51  -4.665 -12.733  -4.377
  354    H    THR  52           HN       THR  52  -5.757  -9.908  -2.663
  355    HA   THR  52           HA       THR  52  -2.941  -9.019  -2.250
  356    HB   THR  52           HB       THR  52  -5.125  -7.549  -3.749
  357    HG1  THR  52           HG1      THR  52  -3.202  -7.381  -5.196
  358   1HG2  THR  52          HG22      THR  52  -2.462  -6.503  -2.745
  359   2HG2  THR  52          HG21      THR  52  -3.576  -5.629  -3.797
  360   3HG2  THR  52          HG23      THR  52  -4.048  -6.023  -2.143
  361    H    GLU  53           HN       GLU  53  -2.686  -7.981  -0.295
  362    HA   GLU  53           HA       GLU  53  -5.089  -7.643   1.374
  363   1HB   GLU  53           HB1      GLU  53  -2.241  -7.003   2.155
  364   2HB   GLU  53           HB2      GLU  53  -3.592  -7.411   3.213
  365   1HG   GLU  53           HG1      GLU  53  -3.361  -9.556   1.392
  366   2HG   GLU  53           HG2      GLU  53  -1.714  -9.175   1.896
  367    H    ILE  54           HN       ILE  54  -6.159  -5.769   0.639
  368    HA   ILE  54           HA       ILE  54  -4.528  -3.306   0.398
  369    HB   ILE  54           HB       ILE  54  -6.864  -4.331  -0.942
  370   1HG1  ILE  54          HG11      ILE  54  -5.780  -1.638  -1.563
  371   2HG1  ILE  54          HG12      ILE  54  -4.640  -2.983  -1.618
  372   1HG2  ILE  54          HG21      ILE  54  -7.263  -1.802   0.591
  373   2HG2  ILE  54          HG22      ILE  54  -8.031  -2.001  -0.975
  374   3HG2  ILE  54          HG23      ILE  54  -8.388  -3.127   0.337
  375   1HD1  ILE  54          HD13      ILE  54  -7.312  -2.954  -3.054
  376   2HD1  ILE  54          HD11      ILE  54  -5.775  -2.547  -3.816
  377   3HD1  ILE  54          HD12      ILE  54  -6.049  -4.176  -3.199
  378    H    LYS  55           HN       LYS  55  -5.145  -1.413   1.610
  379    HA   LYS  55           HA       LYS  55  -7.139  -1.730   3.747
  380   1HB   LYS  55           HB1      LYS  55  -5.608  -2.364   5.291
  381   2HB   LYS  55           HB2      LYS  55  -4.279  -2.091   4.172
  382   1HG   LYS  55           HG1      LYS  55  -4.453   0.376   4.707
  383   2HG   LYS  55           HG2      LYS  55  -5.592  -0.053   5.983
  384   1HD   LYS  55           HD1      LYS  55  -2.788  -1.181   5.757
  385   2HD   LYS  55           HD2      LYS  55  -3.232   0.171   6.800
  386   1HE   LYS  55           HE1      LYS  55  -5.118  -1.593   7.564
  387   2HE   LYS  55           HE2      LYS  55  -3.862  -2.729   7.072
  388   1HZ   LYS  55           HZ3      LYS  55  -3.026  -0.463   8.702
  389   2HZ   LYS  55           HZ1      LYS  55  -3.947  -1.656   9.479
  390   3HZ   LYS  55           HZ2      LYS  55  -2.486  -2.073   8.720
  391    H    CYS  56           HN       CYS  56  -7.079   0.475   5.075
  392    HA   CYS  56           HA       CYS  56  -6.956   2.622   3.022
  393   1HB   CYS  56           HB1      CYS  56  -8.138   2.932   5.776
  394   2HB   CYS  56           HB2      CYS  56  -8.571   3.770   4.285
  395    H    CYS  57           HN       CYS  57  -5.370   4.127   3.135
  396    HA   CYS  57           HA       CYS  57  -3.982   4.579   5.733
  397   1HB   CYS  57           HB1      CYS  57  -2.708   2.873   4.489
  398   2HB   CYS  57           HB2      CYS  57  -2.612   3.953   3.102
  399    H    SER  58           HN       SER  58  -2.957   6.617   5.879
  400    HA   SER  58           HA       SER  58  -3.440   8.444   3.601
  401   1HB   SER  58           HB1      SER  58  -4.086  10.227   5.243
  402   2HB   SER  58           HB2      SER  58  -5.235   8.894   5.165
  403    HG   SER  58           HG       SER  58  -3.423   9.560   7.172
  404    H    ALA  59           HN       ALA  59  -1.340   7.284   5.966
  405    HA   ALA  59           HA       ALA  59   0.788   9.012   4.966
  406   1HB   ALA  59           HB1      ALA  59  -0.263   9.386   7.780
  407   2HB   ALA  59           HB3      ALA  59   1.324   9.949   7.257
  408   3HB   ALA  59           HB2      ALA  59  -0.134  10.606   6.512
  409    H    ASP  60           HN       ASP  60   1.428   8.246   8.174
  410    HA   ASP  60           HA       ASP  60   2.902   5.816   7.339
  411   1HB   ASP  60           HB1      ASP  60   4.108   7.652   8.589
  412   2HB   ASP  60           HB2      ASP  60   3.049   7.337   9.966
  413    H    LYS  61           HN       LYS  61   0.044   5.899   7.630
  414    HA   LYS  61           HA       LYS  61  -0.377   4.208  10.025
  415   1HB   LYS  61           HB1      LYS  61  -1.876   6.065  10.086
  416   2HB   LYS  61           HB2      LYS  61  -2.257   5.894   8.372
  417   1HG   LYS  61           HG1      LYS  61  -3.523   3.922   8.741
  418   2HG   LYS  61           HG2      LYS  61  -2.848   3.693  10.354
  419   1HD   LYS  61           HD1      LYS  61  -4.276   6.257   9.874
  420   2HD   LYS  61           HD2      LYS  61  -5.276   4.804   9.926
  421   1HE   LYS  61           HE1      LYS  61  -5.184   4.936  12.177
  422   2HE   LYS  61           HE2      LYS  61  -3.474   4.521  12.060
  423   1HZ   LYS  61           HZ1      LYS  61  -3.358   7.098  11.491
  424   2HZ   LYS  61           HZ2      LYS  61  -4.734   7.110  12.488
  425   3HZ   LYS  61           HZ3      LYS  61  -3.259   6.506  13.077
  426    H    CYS  62           HN       CYS  62   0.354   3.899   6.878
  427    HA   CYS  62           HA       CYS  62  -1.555   2.170   5.746
  428   1HB   CYS  62           HB1      CYS  62   1.460   2.040   5.461
  429   2HB   CYS  62           HB2      CYS  62   0.298   1.294   4.369
  430    H    ASN  63           HN       ASN  63   0.912   1.525   8.172
  431    HA   ASN  63           HA       ASN  63  -0.177  -1.234   8.409
  432   1HB   ASN  63           HB1      ASN  63   2.136  -1.908   9.128
  433   2HB   ASN  63           HB2      ASN  63   2.035  -1.408   7.441
  434   1HD2  ASN  63          HD22      ASN  63   4.929   0.476   8.590
  435   2HD2  ASN  63          HD21      ASN  63   4.515  -1.072   8.030
  436    H    THR  64           HN       THR  64  -1.582  -0.316  10.092
  437    HA   THR  64           HA       THR  64  -0.195  -0.231  12.701
  438    HB   THR  64           HB       THR  64  -2.115   1.865  12.775
  439    HG1  THR  64           HG1      THR  64  -1.785   2.044  10.536
  440   1HG2  THR  64          HG21      THR  64   0.778   1.381  13.203
  441   2HG2  THR  64          HG23      THR  64   0.294   3.063  12.980
  442   3HG2  THR  64          HG22      THR  64  -0.416   2.106  14.281
  443    H    TYR  65           HN       TYR  65  -1.527  -0.945  14.383
  444    HA   TYR  65           HA       TYR  65  -3.503  -2.743  14.036
  445   1HB   TYR  65           HB1      TYR  65  -2.445  -1.849  16.227
  446   2HB   TYR  65           HB2      TYR  65  -3.802  -0.722  16.247
  447    HD1  TYR  65           HD1      TYR  65  -2.885  -4.328  16.214
  448    HD2  TYR  65           HD2      TYR  65  -6.002  -1.436  16.844
  449    HE1  TYR  65           HE1      TYR  65  -4.344  -6.104  17.148
  450    HE2  TYR  65           HE2      TYR  65  -7.461  -3.212  17.778
  451    HH   TYR  65           HH       TYR  65  -6.823  -5.662  18.998
  452    HA   PRO  66           HA       PRO  66  -6.935  -0.483  12.376
  453   1HB   PRO  66           HB1      PRO  66  -8.858  -2.418  12.734
  454   2HB   PRO  66           HB2      PRO  66  -7.646  -2.461  11.442
  455   1HG   PRO  66           HG1      PRO  66  -7.800  -4.065  13.958
  456   2HG   PRO  66           HG2      PRO  66  -7.024  -4.470  12.418
  457   1HD   PRO  66           HD1      PRO  66  -5.740  -3.540  14.779
  458   2HD   PRO  66           HD2      PRO  66  -5.002  -3.694  13.172
   
  No H/Q in entry =         458
  Start of MODEL    3
    1   1H    ARG   1           HT1      ARG   1   2.335  15.344  -1.410
    2   2H    ARG   1           HT2      ARG   1   3.682  15.372  -2.444
    3   3H    ARG   1           HT3      ARG   1   2.285  14.515  -2.888
    4    HA   ARG   1           HA       ARG   1   3.323  12.730  -2.089
    5   1HB   ARG   1           HB1      ARG   1   5.240  14.722  -1.507
    6   2HB   ARG   1           HB2      ARG   1   5.046  13.777  -0.029
    7   1HG   ARG   1           HG1      ARG   1   5.821  11.835  -1.013
    8   2HG   ARG   1           HG2      ARG   1   5.216  12.290  -2.609
    9   1HD   ARG   1           HD1      ARG   1   7.177  13.267  -3.175
   10   2HD   ARG   1           HD2      ARG   1   7.280  14.121  -1.635
   11    HE   ARG   1           HE       ARG   1   8.111  11.844  -0.722
   12   1HH1  ARG   1          HH11      ARG   1   7.856  10.920  -3.733
   13   2HH1  ARG   1          HH12      ARG   1   9.537  10.856  -4.145
   14   1HH2  ARG   1          HH21      ARG   1  10.563  12.627  -1.346
   15   2HH2  ARG   1          HH22      ARG   1  11.069  11.823  -2.793
   16    H    GLU   2           HN       GLU   2   2.049  11.516  -0.755
   17    HA   GLU   2           HA       GLU   2   1.641  12.490   2.017
   18   1HB   GLU   2           HB1      GLU   2  -0.407  12.345  -0.042
   19   2HB   GLU   2           HB2      GLU   2  -0.809  11.319   1.335
   20   1HG   GLU   2           HG1      GLU   2   0.077  13.553   2.616
   21   2HG   GLU   2           HG2      GLU   2  -0.618  14.270   1.162
   22    H    CYS   3           HN       CYS   3   3.341  10.467   1.070
   23    HA   CYS   3           HA       CYS   3   2.343   8.224   2.675
   24   1HB   CYS   3           HB1      CYS   3   3.199   7.675  -0.176
   25   2HB   CYS   3           HB2      CYS   3   2.528   6.528   0.980
   26    H    TYR   4           HN       TYR   4   4.867   9.012   0.305
   27    HA   TYR   4           HA       TYR   4   7.179   8.517   0.369
   28   1HB   TYR   4           HB1      TYR   4   7.901   9.398   2.908
   29   2HB   TYR   4           HB2      TYR   4   7.780  10.400   1.465
   30    HD1  TYR   4           HD2      TYR   4   5.786  11.800   1.058
   31    HD2  TYR   4           HD1      TYR   4   6.127   9.397   4.605
   32    HE1  TYR   4           HE2      TYR   4   3.909  13.054   2.088
   33    HE2  TYR   4           HE1      TYR   4   4.251  10.651   5.635
   34    HH   TYR   4           HH       TYR   4   2.186  12.020   4.632
   35    H    LEU   5           HN       LEU   5   8.862   7.876   2.550
   36    HA   LEU   5           HA       LEU   5   9.555   6.027   3.790
   37   1HB   LEU   5           HB1      LEU   5   6.604   5.903   4.105
   38   2HB   LEU   5           HB2      LEU   5   7.583   4.579   4.704
   39    HG   LEU   5           HG       LEU   5   8.133   7.483   5.377
   40   1HD1  LEU   5          HD11      LEU   5   5.847   6.777   6.136
   41   2HD1  LEU   5          HD13      LEU   5   6.600   5.466   7.044
   42   3HD1  LEU   5          HD12      LEU   5   6.943   7.143   7.468
   43   1HD2  LEU   5          HD22      LEU   5   9.125   4.799   6.296
   44   2HD2  LEU   5          HD23      LEU   5  10.046   6.249   5.896
   45   3HD2  LEU   5          HD21      LEU   5   9.153   6.162   7.414
   46    H    ASN   6           HN       ASN   6  10.526   5.069   1.926
   47    HA   ASN   6           HA       ASN   6   8.846   2.912   0.725
   48   1HB   ASN   6           HB1      ASN   6  10.084   5.040  -0.593
   49   2HB   ASN   6           HB2      ASN   6  11.114   3.646  -0.920
   50   1HD2  ASN   6          HD22      ASN   6   7.900   1.927  -2.117
   51   2HD2  ASN   6          HD21      ASN   6   8.809   1.713  -0.699
   52    HA   PRO   7           HA       PRO   7  12.734   1.064   2.588
   53   1HB   PRO   7           HB1      PRO   7  11.510  -0.234   4.691
   54   2HB   PRO   7           HB2      PRO   7  12.238   1.377   4.830
   55   1HG   PRO   7           HG1      PRO   7   9.347   0.599   4.645
   56   2HG   PRO   7           HG2      PRO   7  10.083   1.987   5.465
   57   1HD   PRO   7           HD1      PRO   7   8.780   2.063   2.965
   58   2HD   PRO   7           HD2      PRO   7   9.887   3.306   3.590
   59    H    HIS   8           HN       HIS   8   9.404  -0.169   2.617
   60    HA   HIS   8           HA       HIS   8  10.054  -2.197   0.643
   61   1HB   HIS   8           HB1      HIS   8  10.313  -3.984   2.020
   62   2HB   HIS   8           HB2      HIS   8  10.218  -2.902   3.401
   63    HD1  HIS   8           HD1      HIS   8   8.035  -5.128   1.251
   64    HD2  HIS   8           HD2      HIS   8   7.809  -3.030   4.848
   65    HE1  HIS   8           HE1      HIS   8   5.843  -5.802   2.335
   66    H    ASP   9           HN       ASP   9   8.335   0.157   1.163
   67    HA   ASP   9           HA       ASP   9   5.983  -0.804  -0.161
   68   1HB   ASP   9           HB1      ASP   9   5.954  -0.685   2.783
   69   2HB   ASP   9           HB2      ASP   9   4.596   0.120   2.000
   70    H    THR  10           HN       THR  10   4.131   1.043   0.262
   71    HA   THR  10           HA       THR  10   3.537   3.274  -0.079
   72    HB   THR  10           HB       THR  10   6.066   4.494   0.720
   73    HG1  THR  10           HG1      THR  10   4.767   2.834   2.608
   74   1HG2  THR  10          HG21      THR  10   3.172   4.598   1.289
   75   2HG2  THR  10          HG23      THR  10   4.218   5.033   2.641
   76   3HG2  THR  10          HG22      THR  10   4.337   5.910   1.115
   77    H    GLN  11           HN       GLN  11   4.108   5.196  -1.445
   78    HA   GLN  11           HA       GLN  11   6.387   4.997  -3.205
   79   1HB   GLN  11           HB1      GLN  11   5.350   4.399  -5.220
   80   2HB   GLN  11           HB2      GLN  11   4.577   3.323  -4.058
   81   1HG   GLN  11           HG1      GLN  11   2.933   5.472  -3.876
   82   2HG   GLN  11           HG2      GLN  11   3.448   5.626  -5.555
   83   1HE2  GLN  11          HE22      GLN  11   0.907   3.296  -6.351
   84   2HE2  GLN  11          HE21      GLN  11   1.500   4.874  -6.554
   85    H    THR  12           HN       THR  12   4.735   6.925  -1.438
   86    HA   THR  12           HA       THR  12   4.259   9.210  -1.440
   87    HB   THR  12           HB       THR  12   5.709  10.553  -2.693
   88    HG1  THR  12           HG1      THR  12   5.563  10.191  -4.752
   89   1HG2  THR  12          HG21      THR  12   6.675   8.271  -1.455
   90   2HG2  THR  12          HG23      THR  12   7.506   8.281  -3.011
   91   3HG2  THR  12          HG22      THR  12   7.636   9.670  -1.932
   92    H    CYS  13           HN       CYS  13   2.792  10.660  -2.245
   93    HA   CYS  13           HA       CYS  13   1.451  10.015  -4.837
   94   1HB   CYS  13           HB1      CYS  13  -0.145   9.244  -3.261
   95   2HB   CYS  13           HB2      CYS  13   0.221  10.537  -2.123
   96    HA   PRO  14           HA       PRO  14   2.793  14.401  -4.694
   97   1HB   PRO  14           HB1      PRO  14   3.805  14.382  -7.256
   98   2HB   PRO  14           HB2      PRO  14   4.746  13.939  -5.821
   99   1HG   PRO  14           HG1      PRO  14   3.564  12.186  -7.939
  100   2HG   PRO  14           HG2      PRO  14   4.983  11.905  -6.916
  101   1HD   PRO  14           HD1      PRO  14   2.399  10.788  -6.543
  102   2HD   PRO  14           HD2      PRO  14   3.722  10.776  -5.358
  103    H    SER  15           HN       SER  15   1.856  13.162  -7.921
  104    HA   SER  15           HA       SER  15  -0.230  15.287  -8.022
  105   1HB   SER  15           HB1      SER  15   1.547  14.022  -9.983
  106   2HB   SER  15           HB2      SER  15  -0.122  14.130 -10.533
  107    HG   SER  15           HG       SER  15   0.030  16.212 -10.654
  108    H    GLY  16           HN       GLY  16  -2.366  14.730  -7.998
  109   1HA   GLY  16           HA1      GLY  16  -3.911  12.883  -9.056
  110   2HA   GLY  16           HA2      GLY  16  -3.012  11.824  -7.968
  111    H    GLN  17           HN       GLN  17  -4.979  11.348  -6.801
  112    HA   GLN  17           HA       GLN  17  -6.593  13.424  -5.604
  113   1HB   GLN  17           HB1      GLN  17  -6.280  10.496  -4.875
  114   2HB   GLN  17           HB2      GLN  17  -7.546  11.560  -4.261
  115   1HG   GLN  17           HG1      GLN  17  -7.078  11.038  -7.209
  116   2HG   GLN  17           HG2      GLN  17  -8.242  10.142  -6.233
  117   1HE2  GLN  17          HE22      GLN  17 -10.020  13.043  -7.809
  118   2HE2  GLN  17          HE21      GLN  17  -9.175  11.697  -8.405
  119    H    GLU  18           HN       GLU  18  -6.685  12.392  -2.874
  120    HA   GLU  18           HA       GLU  18  -3.984  13.214  -1.895
  121   1HB   GLU  18           HB1      GLU  18  -6.705  14.126  -0.929
  122   2HB   GLU  18           HB2      GLU  18  -5.224  14.361   0.001
  123   1HG   GLU  18           HG1      GLU  18  -4.252  15.688  -1.786
  124   2HG   GLU  18           HG2      GLU  18  -5.616  15.332  -2.846
  125    H    ILE  19           HN       ILE  19  -5.742  10.608  -2.148
  126    HA   ILE  19           HA       ILE  19  -5.611   9.788   0.717
  127    HB   ILE  19           HB       ILE  19  -6.770   8.191  -1.555
  128   1HG1  ILE  19          HG11      ILE  19  -7.655  10.741  -0.866
  129   2HG1  ILE  19          HG12      ILE  19  -8.608   9.517  -1.689
  130   1HG2  ILE  19          HG21      ILE  19  -7.043   8.202   1.450
  131   2HG2  ILE  19          HG22      ILE  19  -8.219   7.388   0.415
  132   3HG2  ILE  19          HG23      ILE  19  -6.529   6.881   0.399
  133   1HD1  ILE  19          HD11      ILE  19  -8.462   9.781   1.326
  134   2HD1  ILE  19          HD12      ILE  19  -9.731  10.502   0.338
  135   3HD1  ILE  19          HD13      ILE  19  -9.553   8.749   0.402
  136    H    CYS  20           HN       CYS  20  -4.651   7.742   1.193
  137    HA   CYS  20           HA       CYS  20  -2.600   6.855  -0.793
  138   1HB   CYS  20           HB1      CYS  20  -1.755   8.218   1.249
  139   2HB   CYS  20           HB2      CYS  20  -2.132   6.775   2.187
  140    H    TYR  21           HN       TYR  21  -3.233   4.826  -1.414
  141    HA   TYR  21           HA       TYR  21  -4.624   3.144   0.603
  142   1HB   TYR  21           HB1      TYR  21  -5.504   1.876  -1.140
  143   2HB   TYR  21           HB2      TYR  21  -5.414   3.467  -1.882
  144    HD1  TYR  21           HD2      TYR  21  -2.634   3.797  -2.663
  145    HD2  TYR  21           HD1      TYR  21  -5.058   0.252  -2.728
  146    HE1  TYR  21           HE2      TYR  21  -1.207   2.859  -4.451
  147    HE2  TYR  21           HE1      TYR  21  -3.625  -0.691  -4.519
  148    HH   TYR  21           HH       TYR  21  -0.815   1.122  -5.766
  149    H    VAL  22           HN       VAL  22  -3.846   0.947   1.008
  150    HA   VAL  22           HA       VAL  22  -0.939   0.707   0.350
  151    HB   VAL  22           HB       VAL  22  -0.552  -0.211   2.559
  152   1HG1  VAL  22          HG13      VAL  22  -2.233   2.314   2.529
  153   2HG1  VAL  22          HG12      VAL  22  -1.364   1.762   3.960
  154   3HG1  VAL  22          HG11      VAL  22  -0.474   2.199   2.501
  155   1HG2  VAL  22          HG23      VAL  22  -3.497  -0.422   2.508
  156   2HG2  VAL  22          HG22      VAL  22  -2.309  -1.431   3.336
  157   3HG2  VAL  22          HG21      VAL  22  -2.815   0.103   4.047
  158    H    LYS  23           HN       LYS  23  -0.833  -0.883  -1.164
  159    HA   LYS  23           HA       LYS  23  -2.543  -3.300  -0.820
  160   1HB   LYS  23           HB1      LYS  23  -2.469  -1.961  -3.023
  161   2HB   LYS  23           HB2      LYS  23  -0.856  -2.642  -3.236
  162   1HG   LYS  23           HG1      LYS  23  -1.728  -4.891  -3.193
  163   2HG   LYS  23           HG2      LYS  23  -3.323  -4.316  -2.705
  164   1HD   LYS  23           HD1      LYS  23  -3.729  -4.486  -4.961
  165   2HD   LYS  23           HD2      LYS  23  -3.007  -2.878  -4.968
  166   1HE   LYS  23           HE1      LYS  23  -0.887  -3.727  -5.647
  167   2HE   LYS  23           HE2      LYS  23  -1.345  -5.387  -5.265
  168   1HZ   LYS  23           HZ1      LYS  23  -2.924  -3.901  -7.240
  169   2HZ   LYS  23           HZ2      LYS  23  -1.412  -4.521  -7.707
  170   3HZ   LYS  23           HZ3      LYS  23  -2.622  -5.567  -7.133
  171    H    SER  24           HN       SER  24  -1.593  -5.205  -0.210
  172    HA   SER  24           HA       SER  24   1.355  -5.454  -0.550
  173   1HB   SER  24           HB1      SER  24   0.644  -6.715   1.902
  174   2HB   SER  24           HB2      SER  24   1.702  -5.326   1.669
  175    HG   SER  24           HG       SER  24  -0.240  -5.024   3.022
  176    H    TRP  25           HN       TRP  25   1.688  -7.282  -1.712
  177    HA   TRP  25           HA       TRP  25   0.160  -9.727  -0.952
  178   1HB   TRP  25           HB1      TRP  25  -0.340 -10.225  -3.305
  179   2HB   TRP  25           HB2      TRP  25  -1.051  -8.678  -2.841
  180    HD1  TRP  25           HD1      TRP  25   1.316 -10.186  -5.292
  181    HE1  TRP  25           HE1      TRP  25   2.400  -8.303  -6.695
  182    HE3  TRP  25           HE3      TRP  25  -0.107  -6.208  -2.533
  183    HZ2  TRP  25           HZ2      TRP  25   2.628  -5.422  -6.603
  184    HZ3  TRP  25           HZ3      TRP  25   0.539  -3.947  -3.145
  185    HH2  TRP  25           HH2      TRP  25   1.907  -3.506  -5.184
  186    H    CYS  26           HN       CYS  26   1.538 -11.424  -0.793
  187    HA   CYS  26           HA       CYS  26   4.222 -11.188  -2.072
  188   1HB   CYS  26           HB1      CYS  26   4.730 -11.671   0.123
  189   2HB   CYS  26           HB2      CYS  26   3.176 -12.435   0.423
  190    H    ASN  27           HN       ASN  27   5.082 -13.387  -2.890
  191    HA   ASN  27           HA       ASN  27   2.891 -14.724  -4.407
  192   1HB   ASN  27           HB1      ASN  27   5.888 -14.760  -4.893
  193   2HB   ASN  27           HB2      ASN  27   4.658 -15.469  -5.941
  194   1HD2  ASN  27          HD22      ASN  27   3.550 -12.286  -7.195
  195   2HD2  ASN  27          HD21      ASN  27   3.039 -13.878  -6.895
  196    H    ALA  28           HN       ALA  28   4.194 -17.136  -4.991
  197    HA   ALA  28           HA       ALA  28   3.922 -18.474  -2.407
  198   1HB   ALA  28           HB3      ALA  28   4.018 -19.303  -5.249
  199   2HB   ALA  28           HB1      ALA  28   4.605 -20.478  -4.073
  200   3HB   ALA  28           HB2      ALA  28   2.958 -19.858  -3.953
  201    H    TRP  29           HN       TRP  29   6.430 -16.946  -3.839
  202    HA   TRP  29           HA       TRP  29   8.387 -18.627  -2.366
  203   1HB   TRP  29           HB1      TRP  29   8.741 -17.618  -5.177
  204   2HB   TRP  29           HB2      TRP  29   9.946 -18.450  -4.234
  205    HD1  TRP  29           HD1      TRP  29   6.246 -19.177  -5.244
  206    HE1  TRP  29           HE1      TRP  29   6.121 -21.686  -5.859
  207    HE3  TRP  29           HE3      TRP  29  11.042 -20.472  -4.375
  208    HZ2  TRP  29           HZ2      TRP  29   7.884 -23.968  -5.959
  209    HZ3  TRP  29           HZ3      TRP  29  11.843 -22.814  -4.724
  210    HH2  TRP  29           HH2      TRP  29  10.259 -24.558  -5.516
  211    H    CYS  30           HN       CYS  30   7.091 -15.785  -2.122
  212    HA   CYS  30           HA       CYS  30   9.241 -13.928  -2.589
  213   1HB   CYS  30           HB1      CYS  30   7.983 -12.320  -1.377
  214   2HB   CYS  30           HB2      CYS  30   6.824 -13.293  -2.275
  215    H    SER  31           HN       SER  31   9.363 -16.447  -0.494
  216    HA   SER  31           HA       SER  31  10.043 -15.582   2.034
  217   1HB   SER  31           HB1      SER  31  10.425 -17.849   1.844
  218   2HB   SER  31           HB2      SER  31  11.153 -17.699   0.247
  219    HG   SER  31           HG       SER  31  12.325 -17.594   2.720
  220    H    SER  32           HN       SER  32  10.853 -13.463   2.035
  221    HA   SER  32           HA       SER  32  12.388 -11.725   1.676
  222   1HB   SER  32           HB1      SER  32  14.572 -13.735   1.961
  223   2HB   SER  32           HB2      SER  32  14.429 -12.133   2.676
  224    HG   SER  32           HG       SER  32  13.595 -14.529   3.645
  225    H    ARG  33           HN       ARG  33  11.647 -11.941  -0.595
  226    HA   ARG  33           HA       ARG  33  14.034 -12.396  -2.334
  227   1HB   ARG  33           HB1      ARG  33  11.260 -13.485  -2.664
  228   2HB   ARG  33           HB2      ARG  33  12.204 -13.093  -4.101
  229   1HG   ARG  33           HG1      ARG  33  14.064 -14.437  -2.639
  230   2HG   ARG  33           HG2      ARG  33  12.593 -15.251  -2.105
  231   1HD   ARG  33           HD1      ARG  33  12.843 -16.493  -3.991
  232   2HD   ARG  33           HD2      ARG  33  12.193 -15.079  -4.821
  233    HE   ARG  33           HE       ARG  33  15.054 -14.855  -4.473
  234   1HH1  ARG  33          HH21      ARG  33  13.003 -17.095  -5.987
  235   2HH1  ARG  33          HH22      ARG  33  13.754 -16.971  -7.542
  236   1HH2  ARG  33          HH11      ARG  33  15.845 -14.364  -6.618
  237   2HH2  ARG  33          HH12      ARG  33  15.365 -15.425  -7.900
  238    H    GLY  34           HN       GLY  34  10.998 -11.579  -3.802
  239   1HA   GLY  34           HA1      GLY  34  11.829  -8.709  -3.880
  240   2HA   GLY  34           HA2      GLY  34  11.326  -9.553  -5.345
  241    H    LYS  35           HN       LYS  35  10.029  -9.421  -2.011
  242    HA   LYS  35           HA       LYS  35   7.334  -9.724  -2.587
  243   1HB   LYS  35           HB1      LYS  35   8.793  -8.143  -0.491
  244   2HB   LYS  35           HB2      LYS  35   7.038  -8.001  -0.607
  245   1HG   LYS  35           HG1      LYS  35   6.708 -10.293  -0.144
  246   2HG   LYS  35           HG2      LYS  35   8.377 -10.703  -0.541
  247   1HD   LYS  35           HD1      LYS  35   8.070 -10.739   1.889
  248   2HD   LYS  35           HD2      LYS  35   9.136  -9.406   1.444
  249   1HE   LYS  35           HE1      LYS  35   7.320  -7.813   1.643
  250   2HE   LYS  35           HE2      LYS  35   6.149  -9.111   1.877
  251   1HZ   LYS  35           HZ2      LYS  35   8.051  -9.569   3.777
  252   2HZ   LYS  35           HZ3      LYS  35   7.892  -7.878   3.776
  253   3HZ   LYS  35           HZ1      LYS  35   6.531  -8.856   4.037
  254    H    VAL  36           HN       VAL  36   5.728  -8.449  -3.471
  255    HA   VAL  36           HA       VAL  36   6.589  -5.795  -4.540
  256    HB   VAL  36           HB       VAL  36   4.004  -6.861  -5.465
  257   1HG1  VAL  36          HG12      VAL  36   5.285  -4.923  -6.426
  258   2HG1  VAL  36          HG11      VAL  36   6.512  -6.067  -6.969
  259   3HG1  VAL  36          HG13      VAL  36   4.873  -6.159  -7.614
  260   1HG2  VAL  36          HG22      VAL  36   6.509  -8.496  -5.662
  261   2HG2  VAL  36          HG23      VAL  36   4.835  -9.030  -5.504
  262   3HG2  VAL  36          HG21      VAL  36   5.432  -8.443  -7.057
  263    H    LEU  37           HN       LEU  37   6.135  -5.487  -1.994
  264    HA   LEU  37           HA       LEU  37   3.260  -4.891  -1.585
  265   1HB   LEU  37           HB1      LEU  37   5.604  -5.484   0.179
  266   2HB   LEU  37           HB2      LEU  37   4.271  -4.539   0.829
  267    HG   LEU  37           HG       LEU  37   2.712  -6.288   0.413
  268   1HD1  LEU  37          HD13      LEU  37   4.927  -7.677  -1.124
  269   2HD1  LEU  37          HD12      LEU  37   3.326  -8.350  -0.819
  270   3HD1  LEU  37          HD11      LEU  37   3.502  -6.919  -1.832
  271   1HD2  LEU  37          HD23      LEU  37   5.304  -7.486   1.394
  272   2HD2  LEU  37          HD22      LEU  37   4.082  -6.687   2.382
  273   3HD2  LEU  37          HD21      LEU  37   3.715  -8.224   1.598
  274    H    GLU  38           HN       GLU  38   2.879  -2.817  -2.343
  275    HA   GLU  38           HA       GLU  38   4.500  -0.650  -1.102
  276   1HB   GLU  38           HB1      GLU  38   3.650   0.169  -3.729
  277   2HB   GLU  38           HB2      GLU  38   5.271   0.167  -3.039
  278   1HG   GLU  38           HG1      GLU  38   5.490  -2.244  -3.612
  279   2HG   GLU  38           HG2      GLU  38   3.888  -2.199  -4.350
  280    H    PHE  39           HN       PHE  39   3.351   1.473  -1.316
  281    HA   PHE  39           HA       PHE  39   0.410   1.145  -1.411
  282   1HB   PHE  39           HB1      PHE  39   1.811   3.017   0.510
  283   2HB   PHE  39           HB2      PHE  39   0.126   2.499   0.536
  284    HD1  PHE  39           HD2      PHE  39   0.502  -0.435   0.017
  285    HD2  PHE  39           HD1      PHE  39   2.596   2.249   2.632
  286    HE1  PHE  39           HE2      PHE  39   1.108  -2.342   1.476
  287    HE2  PHE  39           HE1      PHE  39   3.202   0.340   4.100
  288    HZ   PHE  39           HZ       PHE  39   2.460  -1.959   3.520
  289    H    GLY  40           HN       GLY  40  -0.673   3.018  -2.328
  290   1HA   GLY  40           HA1      GLY  40   1.199   5.079  -3.399
  291   2HA   GLY  40           HA2      GLY  40   0.053   4.286  -4.474
  292    H    CYS  41           HN       CYS  41  -1.076   6.167  -4.979
  293    HA   CYS  41           HA       CYS  41  -2.340   7.666  -2.759
  294   1HB   CYS  41           HB1      CYS  41  -1.074   8.667  -4.833
  295   2HB   CYS  41           HB2      CYS  41  -2.585   8.359  -5.665
  296    H    ALA  42           HN       ALA  42  -4.633   8.460  -3.736
  297    HA   ALA  42           HA       ALA  42  -6.231   6.796  -5.320
  298   1HB   ALA  42           HB1      ALA  42  -5.645   5.669  -2.654
  299   2HB   ALA  42           HB3      ALA  42  -7.351   5.671  -3.103
  300   3HB   ALA  42           HB2      ALA  42  -6.170   4.860  -4.131
  301    H    ALA  43           HN       ALA  43  -8.618   6.757  -4.343
  302    HA   ALA  43           HA       ALA  43  -9.168   9.535  -3.447
  303   1HB   ALA  43           HB2      ALA  43 -10.126   8.089  -5.650
  304   2HB   ALA  43           HB1      ALA  43 -11.464   8.108  -4.501
  305   3HB   ALA  43           HB3      ALA  43 -10.751   9.625  -5.050
  306    H    THR  44           HN       THR  44 -10.273   6.156  -3.087
  307    HA   THR  44           HA       THR  44 -11.006   6.791  -0.288
  308    HB   THR  44           HB       THR  44 -13.143   7.067  -1.241
  309    HG1  THR  44           HG1      THR  44 -13.881   5.643   0.086
  310   1HG2  THR  44          HG22      THR  44 -12.531   4.675  -2.999
  311   2HG2  THR  44          HG21      THR  44 -14.031   5.601  -3.013
  312   3HG2  THR  44          HG23      THR  44 -12.523   6.361  -3.519
  313    H    CYS  45           HN       CYS  45 -10.815   5.017   1.082
  314    HA   CYS  45           HA       CYS  45  -8.977   3.115   0.800
  315   1HB   CYS  45           HB1      CYS  45 -10.290   3.508   2.852
  316   2HB   CYS  45           HB2      CYS  45 -11.645   2.643   2.127
  317    HA   PRO  46           HA       PRO  46 -10.661   0.470  -2.420
  318   1HB   PRO  46           HB1      PRO  46  -8.393  -1.079  -2.680
  319   2HB   PRO  46           HB2      PRO  46  -8.611   0.502  -3.449
  320   1HG   PRO  46           HG1      PRO  46  -6.882  -0.250  -1.167
  321   2HG   PRO  46           HG2      PRO  46  -6.791   1.163  -2.220
  322   1HD   PRO  46           HD1      PRO  46  -7.866   1.020   0.447
  323   2HD   PRO  46           HD2      PRO  46  -7.822   2.432  -0.630
  324    H    SER  47           HN       SER  47 -10.267  -2.188  -2.690
  325    HA   SER  47           HA       SER  47 -10.755  -3.381   0.007
  326   1HB   SER  47           HB1      SER  47 -12.260  -4.379  -2.386
  327   2HB   SER  47           HB2      SER  47 -12.708  -4.439  -0.683
  328    HG   SER  47           HG       SER  47 -12.785  -2.057  -0.854
  329    H    VAL  48           HN       VAL  48 -10.853  -5.950  -0.379
  330    HA   VAL  48           HA       VAL  48  -8.289  -6.607  -1.689
  331    HB   VAL  48           HB       VAL  48 -10.064  -8.065   0.220
  332   1HG1  VAL  48          HG12      VAL  48  -7.760  -9.067  -1.425
  333   2HG1  VAL  48          HG11      VAL  48  -8.082  -9.757   0.166
  334   3HG1  VAL  48          HG13      VAL  48  -9.306  -9.852  -1.101
  335   1HG2  VAL  48          HG23      VAL  48  -7.708  -6.396   0.396
  336   2HG2  VAL  48          HG22      VAL  48  -8.739  -6.996   1.693
  337   3HG2  VAL  48          HG21      VAL  48  -7.407  -7.985   1.099
  338    H    ASN  49           HN       ASN  49  -8.846  -6.685  -3.899
  339    HA   ASN  49           HA       ASN  49 -11.130  -8.239  -4.776
  340   1HB   ASN  49           HB1      ASN  49 -10.533  -6.264  -6.049
  341   2HB   ASN  49           HB2      ASN  49  -8.900  -6.880  -6.302
  342   1HD2  ASN  49          HD22      ASN  49 -10.606  -7.798  -9.406
  343   2HD2  ASN  49          HD21      ASN  49  -9.912  -6.433  -8.672
  344    H    THR  50           HN       THR  50  -8.009  -8.514  -6.358
  345    HA   THR  50           HA       THR  50  -8.270 -11.398  -6.546
  346    HB   THR  50           HB       THR  50  -7.196 -10.037  -8.316
  347    HG1  THR  50           HG1      THR  50  -6.102 -11.762  -8.715
  348   1HG2  THR  50          HG21      THR  50  -5.728  -9.033  -6.042
  349   2HG2  THR  50          HG23      THR  50  -4.609  -9.665  -7.251
  350   3HG2  THR  50          HG22      THR  50  -5.771  -8.414  -7.693
  351    H    GLY  51           HN       GLY  51  -8.350 -11.789  -4.136
  352   1HA   GLY  51           HA1      GLY  51  -7.314 -12.171  -2.030
  353   2HA   GLY  51           HA2      GLY  51  -6.223 -13.098  -3.060
  354    H    THR  52           HN       THR  52  -6.664  -9.576  -2.919
  355    HA   THR  52           HA       THR  52  -3.744  -9.340  -2.377
  356    HB   THR  52           HB       THR  52  -5.800  -7.593  -3.714
  357    HG1  THR  52           HG1      THR  52  -4.099  -9.163  -4.617
  358   1HG2  THR  52          HG21      THR  52  -4.694  -6.153  -2.028
  359   2HG2  THR  52          HG23      THR  52  -3.120  -6.641  -2.657
  360   3HG2  THR  52          HG22      THR  52  -4.224  -5.710  -3.667
  361    H    GLU  53           HN       GLU  53  -3.012  -7.964  -0.652
  362    HA   GLU  53           HA       GLU  53  -5.038  -7.620   1.482
  363   1HB   GLU  53           HB1      GLU  53  -2.088  -7.125   1.808
  364   2HB   GLU  53           HB2      GLU  53  -3.262  -7.642   3.019
  365   1HG   GLU  53           HG1      GLU  53  -2.558  -9.349   0.623
  366   2HG   GLU  53           HG2      GLU  53  -1.664  -9.446   2.140
  367    H    ILE  54           HN       ILE  54  -6.003  -5.707   0.430
  368    HA   ILE  54           HA       ILE  54  -4.258  -3.307   0.450
  369    HB   ILE  54           HB       ILE  54  -6.172  -4.146  -1.368
  370   1HG1  ILE  54          HG11      ILE  54  -5.344  -1.274  -0.962
  371   2HG1  ILE  54          HG12      ILE  54  -4.244  -2.506  -1.578
  372   1HG2  ILE  54          HG21      ILE  54  -7.804  -3.200   0.522
  373   2HG2  ILE  54          HG22      ILE  54  -7.399  -1.682  -0.269
  374   3HG2  ILE  54          HG23      ILE  54  -8.132  -2.976  -1.191
  375   1HD1  ILE  54          HD12      ILE  54  -6.477  -2.909  -3.134
  376   2HD1  ILE  54          HD13      ILE  54  -6.493  -1.159  -2.920
  377   3HD1  ILE  54          HD11      ILE  54  -5.079  -1.948  -3.616
  378    H    LYS  55           HN       LYS  55  -4.961  -1.392   1.577
  379    HA   LYS  55           HA       LYS  55  -7.152  -1.717   3.526
  380   1HB   LYS  55           HB1      LYS  55  -4.249  -1.644   4.222
  381   2HB   LYS  55           HB2      LYS  55  -5.363  -0.753   5.259
  382   1HG   LYS  55           HG1      LYS  55  -6.350  -3.419   4.547
  383   2HG   LYS  55           HG2      LYS  55  -4.821  -3.468   5.427
  384   1HD   LYS  55           HD1      LYS  55  -5.935  -3.048   7.340
  385   2HD   LYS  55           HD2      LYS  55  -6.463  -1.501   6.676
  386   1HE   LYS  55           HE1      LYS  55  -8.063  -3.451   5.419
  387   2HE   LYS  55           HE2      LYS  55  -8.001  -3.915   7.119
  388   1HZ   LYS  55           HZ3      LYS  55  -8.305  -1.125   6.920
  389   2HZ   LYS  55           HZ1      LYS  55  -9.492  -1.872   5.965
  390   3HZ   LYS  55           HZ2      LYS  55  -9.361  -2.261   7.614
  391    H    CYS  56           HN       CYS  56  -7.057   0.467   4.957
  392    HA   CYS  56           HA       CYS  56  -7.010   2.651   2.940
  393   1HB   CYS  56           HB1      CYS  56  -8.060   3.112   5.694
  394   2HB   CYS  56           HB2      CYS  56  -8.690   3.671   4.147
  395    H    CYS  57           HN       CYS  57  -5.467   4.194   3.038
  396    HA   CYS  57           HA       CYS  57  -4.072   4.725   5.605
  397   1HB   CYS  57           HB1      CYS  57  -2.891   2.893   4.213
  398   2HB   CYS  57           HB2      CYS  57  -2.478   4.198   3.100
  399    H    SER  58           HN       SER  58  -2.595   6.576   5.340
  400    HA   SER  58           HA       SER  58  -2.429   8.357   3.247
  401   1HB   SER  58           HB1      SER  58  -4.335   9.993   4.100
  402   2HB   SER  58           HB2      SER  58  -4.695   8.727   2.929
  403    HG   SER  58           HG       SER  58  -4.905   8.342   5.719
  404    H    ALA  59           HN       ALA  59  -1.458   7.480   6.090
  405    HA   ALA  59           HA       ALA  59  -0.488  10.193   6.775
  406   1HB   ALA  59           HB1      ALA  59  -2.389   8.604   8.474
  407   2HB   ALA  59           HB3      ALA  59  -1.184   9.636   9.244
  408   3HB   ALA  59           HB2      ALA  59  -2.375  10.338   8.149
  409    H    ASP  60           HN       ASP  60   1.175   8.300   5.846
  410    HA   ASP  60           HA       ASP  60   2.837   6.704   6.370
  411   1HB   ASP  60           HB1      ASP  60   4.027   8.663   6.822
  412   2HB   ASP  60           HB2      ASP  60   3.006   9.065   8.189
  413    H    LYS  61           HN       LYS  61   0.240   6.161   7.432
  414    HA   LYS  61           HA       LYS  61   0.878   4.861  10.011
  415   1HB   LYS  61           HB1      LYS  61  -0.906   6.189  10.594
  416   2HB   LYS  61           HB2      LYS  61  -1.532   6.232   8.950
  417   1HG   LYS  61           HG1      LYS  61  -2.327   3.895   9.210
  418   2HG   LYS  61           HG2      LYS  61  -1.748   3.901  10.876
  419   1HD   LYS  61           HD1      LYS  61  -3.602   6.077   9.963
  420   2HD   LYS  61           HD2      LYS  61  -4.268   4.490  10.348
  421   1HE   LYS  61           HE1      LYS  61  -2.808   4.733  12.527
  422   2HE   LYS  61           HE2      LYS  61  -2.876   6.455  12.147
  423   1HZ   LYS  61           HZ3      LYS  61  -5.259   4.695  12.354
  424   2HZ   LYS  61           HZ1      LYS  61  -4.693   5.681  13.614
  425   3HZ   LYS  61           HZ2      LYS  61  -5.248   6.384  12.170
  426    H    CYS  62           HN       CYS  62   0.544   4.249   6.791
  427    HA   CYS  62           HA       CYS  62  -1.116   2.057   6.448
  428   1HB   CYS  62           HB1      CYS  62   1.724   2.098   5.400
  429   2HB   CYS  62           HB2      CYS  62   0.316   1.336   4.664
  430    H    ASN  63           HN       ASN  63   2.088   2.081   7.972
  431    HA   ASN  63           HA       ASN  63   1.678  -0.765   8.732
  432   1HB   ASN  63           HB1      ASN  63   4.158  -0.507   9.452
  433   2HB   ASN  63           HB2      ASN  63   3.803  -0.560   7.724
  434   1HD2  ASN  63          HD22      ASN  63   5.173   2.630   7.176
  435   2HD2  ASN  63          HD21      ASN  63   4.706   1.129   6.537
  436    H    THR  64           HN       THR  64   0.019   0.553  10.232
  437    HA   THR  64           HA       THR  64   1.305   1.721  12.604
  438    HB   THR  64           HB       THR  64  -1.429   1.241  13.114
  439    HG1  THR  64           HG1      THR  64  -2.364   2.078  11.257
  440   1HG2  THR  64          HG23      THR  64   0.199   3.180  13.616
  441   2HG2  THR  64          HG22      THR  64  -0.238   3.778  12.015
  442   3HG2  THR  64          HG21      THR  64  -1.478   3.593  13.256
  443    H    TYR  65           HN       TYR  65   2.419   0.068  13.660
  444    HA   TYR  65           HA       TYR  65   2.756  -2.023  14.717
  445   1HB   TYR  65           HB1      TYR  65   1.965  -0.819  16.564
  446   2HB   TYR  65           HB2      TYR  65   0.341  -0.690  15.898
  447    HD1  TYR  65           HD2      TYR  65   2.604  -3.649  16.318
  448    HD2  TYR  65           HD1      TYR  65  -1.110  -1.777  17.401
  449    HE1  TYR  65           HE2      TYR  65   1.942  -5.687  17.568
  450    HE2  TYR  65           HE1      TYR  65  -1.772  -3.816  18.652
  451    HH   TYR  65           HH       TYR  65  -0.952  -6.505  18.345
  452    HA   PRO  66           HA       PRO  66  -0.242  -4.377  12.124
  453   1HB   PRO  66           HB1      PRO  66   1.700  -5.753  10.741
  454   2HB   PRO  66           HB2      PRO  66   1.040  -4.192  10.222
  455   1HG   PRO  66           HG1      PRO  66   3.683  -4.819  11.477
  456   2HG   PRO  66           HG2      PRO  66   3.245  -3.490  10.390
  457   1HD   PRO  66           HD1      PRO  66   3.545  -3.328  13.211
  458   2HD   PRO  66           HD2      PRO  66   2.803  -2.097  12.166
   
  No H/Q in entry =         458
  Start of MODEL    4
    1   1H    ARG   1           HT1      ARG   1   1.552  15.317  -1.166
    2   2H    ARG   1           HT2      ARG   1   2.228  15.250  -2.722
    3   3H    ARG   1           HT3      ARG   1   0.994  14.169  -2.281
    4    HA   ARG   1           HA       ARG   1   2.927  12.896  -2.152
    5   1HB   ARG   1           HB1      ARG   1   4.110  15.439  -1.726
    6   2HB   ARG   1           HB2      ARG   1   4.531  14.447  -0.332
    7   1HG   ARG   1           HG1      ARG   1   5.801  13.005  -1.583
    8   2HG   ARG   1           HG2      ARG   1   4.727  13.115  -2.979
    9   1HD   ARG   1           HD1      ARG   1   5.964  14.769  -3.913
   10   2HD   ARG   1           HD2      ARG   1   6.068  15.652  -2.391
   11    HE   ARG   1           HE       ARG   1   7.896  13.880  -1.822
   12   1HH1  ARG   1          HH11      ARG   1   8.425  12.307  -4.009
   13   2HH1  ARG   1          HH12      ARG   1   9.424  13.235  -5.076
   14   1HH2  ARG   1          HH21      ARG   1   8.626  16.274  -3.611
   15   2HH2  ARG   1          HH22      ARG   1   9.538  15.481  -4.850
   16    H    GLU   2           HN       GLU   2   1.653  11.536  -0.846
   17    HA   GLU   2           HA       GLU   2   2.014  11.925   2.076
   18   1HB   GLU   2           HB1      GLU   2  -0.234  12.872   1.269
   19   2HB   GLU   2           HB2      GLU   2  -0.690  11.201   0.937
   20   1HG   GLU   2           HG1      GLU   2  -1.241  10.972   3.106
   21   2HG   GLU   2           HG2      GLU   2   0.453  11.223   3.529
   22    H    CYS   3           HN       CYS   3   3.522  10.076   0.926
   23    HA   CYS   3           HA       CYS   3   2.353   7.548   1.853
   24   1HB   CYS   3           HB1      CYS   3   3.237   7.928  -1.012
   25   2HB   CYS   3           HB2      CYS   3   2.913   6.362  -0.270
   26    H    TYR   4           HN       TYR   4   5.087   9.069   0.199
   27    HA   TYR   4           HA       TYR   4   7.188   7.400   0.443
   28   1HB   TYR   4           HB1      TYR   4   8.577   9.345   1.372
   29   2HB   TYR   4           HB2      TYR   4   7.735   9.623  -0.147
   30    HD1  TYR   4           HD1      TYR   4   7.787  10.343   3.471
   31    HD2  TYR   4           HD2      TYR   4   5.772  11.108  -0.243
   32    HE1  TYR   4           HE1      TYR   4   6.580  12.239   4.520
   33    HE2  TYR   4           HE2      TYR   4   4.570  13.002   0.806
   34    HH   TYR   4           HH       TYR   4   5.394  14.184   3.980
   35    H    LEU   5           HN       LEU   5   8.721   6.808   2.101
   36    HA   LEU   5           HA       LEU   5   9.432   6.860   4.474
   37   1HB   LEU   5           HB1      LEU   5   6.484   6.926   4.866
   38   2HB   LEU   5           HB2      LEU   5   7.573   6.475   6.130
   39    HG   LEU   5           HG       LEU   5   8.219   8.960   4.628
   40   1HD1  LEU   5          HD11      LEU   5   5.656   8.521   5.974
   41   2HD1  LEU   5          HD13      LEU   5   6.551   9.879   6.657
   42   3HD1  LEU   5          HD12      LEU   5   6.162   9.854   4.937
   43   1HD2  LEU   5          HD23      LEU   5   8.587   7.792   7.338
   44   2HD2  LEU   5          HD21      LEU   5   9.703   8.748   6.364
   45   3HD2  LEU   5          HD22      LEU   5   8.416   9.546   7.268
   46    H    ASN   6           HN       ASN   6   6.481   4.963   3.817
   47    HA   ASN   6           HA       ASN   6   7.172   2.689   5.241
   48   1HB   ASN   6           HB1      ASN   6   5.130   3.254   3.572
   49   2HB   ASN   6           HB2      ASN   6   6.041   2.139   2.551
   50   1HD2  ASN   6          HD22      ASN   6   4.511  -0.529   4.272
   51   2HD2  ASN   6          HD21      ASN   6   4.849   0.208   2.781
   52    HA   PRO   7           HA       PRO   7  10.804   1.240   3.175
   53   1HB   PRO   7           HB1      PRO   7  10.971  -1.159   4.521
   54   2HB   PRO   7           HB2      PRO   7  11.483   0.392   5.210
   55   1HG   PRO   7           HG1      PRO   7   9.030  -1.228   5.778
   56   2HG   PRO   7           HG2      PRO   7   9.897  -0.100   6.835
   57   1HD   PRO   7           HD1      PRO   7   7.496   0.437   5.424
   58   2HD   PRO   7           HD2      PRO   7   8.544   1.648   6.195
   59    H    HIS   8           HN       HIS   8   7.694   0.142   2.814
   60    HA   HIS   8           HA       HIS   8   8.345  -2.247   1.210
   61   1HB   HIS   8           HB1      HIS   8   6.035  -1.211   2.616
   62   2HB   HIS   8           HB2      HIS   8   5.611  -1.605   0.954
   63    HD1  HIS   8           HD1      HIS   8   4.213  -3.571   2.277
   64    HD2  HIS   8           HD2      HIS   8   8.363  -3.954   2.199
   65    HE1  HIS   8           HE1      HIS   8   4.715  -5.984   2.848
   66    H    ASP   9           HN       ASP   9   9.425   0.140   0.225
   67    HA   ASP   9           HA       ASP   9   9.698   1.034  -1.949
   68   1HB   ASP   9           HB1      ASP   9   7.941  -1.067  -2.421
   69   2HB   ASP   9           HB2      ASP   9   7.078   0.342  -3.039
   70    H    THR  10           HN       THR  10   6.440   1.294  -0.489
   71    HA   THR  10           HA       THR  10   5.028   3.163  -0.300
   72    HB   THR  10           HB       THR  10   7.006   5.254  -0.537
   73    HG1  THR  10           HG1      THR  10   8.418   4.431   1.095
   74   1HG2  THR  10          HG22      THR  10   5.675   4.024   1.901
   75   2HG2  THR  10          HG21      THR  10   6.508   5.574   1.868
   76   3HG2  THR  10          HG23      THR  10   5.029   5.345   0.936
   77    H    GLN  11           HN       GLN  11   4.849   5.562  -1.432
   78    HA   GLN  11           HA       GLN  11   5.829   5.905  -4.057
   79   1HB   GLN  11           HB1      GLN  11   4.611   3.986  -4.780
   80   2HB   GLN  11           HB2      GLN  11   3.188   4.453  -3.851
   81   1HG   GLN  11           HG1      GLN  11   2.644   6.198  -5.337
   82   2HG   GLN  11           HG2      GLN  11   4.270   6.244  -6.018
   83   1HE2  GLN  11          HE22      GLN  11   3.185   4.196  -8.669
   84   2HE2  GLN  11          HE21      GLN  11   4.028   5.583  -8.175
   85    H    THR  12           HN       THR  12   5.887   7.952  -2.874
   86    HA   THR  12           HA       THR  12   3.920   9.456  -1.771
   87    HB   THR  12           HB       THR  12   5.122  11.387  -2.380
   88    HG1  THR  12           HG1      THR  12   6.696  10.891  -4.288
   89   1HG2  THR  12          HG21      THR  12   6.418   9.190  -1.433
   90   2HG2  THR  12          HG23      THR  12   7.389   9.553  -2.858
   91   3HG2  THR  12          HG22      THR  12   7.174  10.774  -1.604
   92    H    CYS  13           HN       CYS  13   2.272  10.858  -2.490
   93    HA   CYS  13           HA       CYS  13   1.383  10.435  -5.316
   94   1HB   CYS  13           HB1      CYS  13  -0.142   9.235  -3.902
   95   2HB   CYS  13           HB2      CYS  13  -0.228  10.570  -2.756
   96    HA   PRO  14           HA       PRO  14   1.952  14.937  -4.536
   97   1HB   PRO  14           HB1      PRO  14   3.337  15.377  -6.876
   98   2HB   PRO  14           HB2      PRO  14   4.104  14.930  -5.342
   99   1HG   PRO  14           HG1      PRO  14   3.597  13.262  -7.775
  100   2HG   PRO  14           HG2      PRO  14   4.870  13.102  -6.554
  101   1HD   PRO  14           HD1      PRO  14   2.506  11.542  -6.725
  102   2HD   PRO  14           HD2      PRO  14   3.607  11.617  -5.333
  103    H    SER  15           HN       SER  15   1.708  13.882  -7.955
  104    HA   SER  15           HA       SER  15  -0.622  15.713  -8.244
  105   1HB   SER  15           HB1      SER  15   1.083  16.151  -9.872
  106   2HB   SER  15           HB2      SER  15   1.244  14.441 -10.257
  107    HG   SER  15           HG       SER  15  -0.745  16.247 -10.987
  108    H    GLY  16           HN       GLY  16  -2.639  14.872  -8.482
  109   1HA   GLY  16           HA1      GLY  16  -3.846  12.998  -9.831
  110   2HA   GLY  16           HA2      GLY  16  -2.857  11.918  -8.846
  111    H    GLN  17           HN       GLN  17  -3.963  11.121  -7.133
  112    HA   GLN  17           HA       GLN  17  -6.360  12.537  -6.154
  113   1HB   GLN  17           HB1      GLN  17  -5.411   9.804  -6.202
  114   2HB   GLN  17           HB2      GLN  17  -5.863  10.262  -4.559
  115   1HG   GLN  17           HG1      GLN  17  -7.590  10.543  -7.038
  116   2HG   GLN  17           HG2      GLN  17  -7.816   9.370  -5.741
  117   1HE2  GLN  17          HE22      GLN  17  -9.452  12.993  -5.349
  118   2HE2  GLN  17          HE21      GLN  17  -8.882  12.368  -6.820
  119    H    GLU  18           HN       GLU  18  -6.263  11.706  -3.441
  120    HA   GLU  18           HA       GLU  18  -3.834  13.079  -2.388
  121   1HB   GLU  18           HB1      GLU  18  -5.150  14.462  -0.918
  122   2HB   GLU  18           HB2      GLU  18  -5.801  14.667  -2.545
  123   1HG   GLU  18           HG1      GLU  18  -7.619  13.142  -2.075
  124   2HG   GLU  18           HG2      GLU  18  -6.908  12.697  -0.523
  125    H    ILE  19           HN       ILE  19  -5.591  10.326  -2.395
  126    HA   ILE  19           HA       ILE  19  -5.262   9.798   0.522
  127    HB   ILE  19           HB       ILE  19  -6.570   7.977  -1.483
  128   1HG1  ILE  19          HG11      ILE  19  -7.403  10.613  -1.012
  129   2HG1  ILE  19          HG12      ILE  19  -8.374   9.326  -1.709
  130   1HG2  ILE  19          HG21      ILE  19  -6.673   8.357   1.511
  131   2HG2  ILE  19          HG22      ILE  19  -7.907   7.435   0.651
  132   3HG2  ILE  19          HG23      ILE  19  -6.222   6.913   0.605
  133   1HD1  ILE  19          HD11      ILE  19  -8.166   9.880   1.265
  134   2HD1  ILE  19          HD12      ILE  19  -9.473  10.464   0.236
  135   3HD1  ILE  19          HD13      ILE  19  -9.250   8.732   0.481
  136    H    CYS  20           HN       CYS  20  -4.274   7.777   1.124
  137    HA   CYS  20           HA       CYS  20  -2.302   6.811  -0.908
  138   1HB   CYS  20           HB1      CYS  20  -1.418   8.146   1.125
  139   2HB   CYS  20           HB2      CYS  20  -1.851   6.729   2.079
  140    H    TYR  21           HN       TYR  21  -2.922   4.761  -1.528
  141    HA   TYR  21           HA       TYR  21  -4.359   3.134   0.509
  142   1HB   TYR  21           HB1      TYR  21  -5.295   1.866  -1.215
  143   2HB   TYR  21           HB2      TYR  21  -5.198   3.459  -1.946
  144    HD1  TYR  21           HD2      TYR  21  -2.119   3.419  -2.367
  145    HD2  TYR  21           HD1      TYR  21  -5.234   0.595  -3.242
  146    HE1  TYR  21           HE2      TYR  21  -0.745   2.473  -4.197
  147    HE2  TYR  21           HE1      TYR  21  -3.859  -0.353  -5.074
  148    HH   TYR  21           HH       TYR  21  -1.670   0.934  -6.583
  149    H    VAL  22           HN       VAL  22  -3.644   0.914   0.898
  150    HA   VAL  22           HA       VAL  22  -0.731   0.630   0.295
  151    HB   VAL  22           HB       VAL  22  -0.419  -0.368   2.466
  152   1HG1  VAL  22          HG12      VAL  22  -2.216   2.074   2.652
  153   2HG1  VAL  22          HG11      VAL  22  -1.172   1.490   3.945
  154   3HG1  VAL  22          HG13      VAL  22  -0.464   2.089   2.446
  155   1HG2  VAL  22          HG22      VAL  22  -3.353  -0.637   2.300
  156   2HG2  VAL  22          HG21      VAL  22  -2.172  -1.662   3.115
  157   3HG2  VAL  22          HG23      VAL  22  -2.738  -0.181   3.890
  158    H    LYS  23           HN       LYS  23  -0.597  -0.889  -1.285
  159    HA   LYS  23           HA       LYS  23  -2.388  -3.265  -1.139
  160   1HB   LYS  23           HB1      LYS  23  -1.126  -1.744  -3.297
  161   2HB   LYS  23           HB2      LYS  23  -0.835  -3.478  -3.447
  162   1HG   LYS  23           HG1      LYS  23  -3.504  -3.383  -2.751
  163   2HG   LYS  23           HG2      LYS  23  -3.330  -1.958  -3.775
  164   1HD   LYS  23           HD1      LYS  23  -1.990  -4.409  -4.765
  165   2HD   LYS  23           HD2      LYS  23  -3.753  -4.465  -4.747
  166   1HE   LYS  23           HE1      LYS  23  -3.412  -3.488  -6.819
  167   2HE   LYS  23           HE2      LYS  23  -3.481  -2.040  -5.816
  168   1HZ   LYS  23           HZ1      LYS  23  -0.864  -3.051  -5.778
  169   2HZ   LYS  23           HZ2      LYS  23  -1.367  -2.932  -7.397
  170   3HZ   LYS  23           HZ3      LYS  23  -1.413  -1.566  -6.388
  171    H    SER  24           HN       SER  24  -1.535  -5.135  -0.341
  172    HA   SER  24           HA       SER  24   1.417  -5.481  -0.501
  173   1HB   SER  24           HB1      SER  24  -0.074  -4.994   1.856
  174   2HB   SER  24           HB2      SER  24   0.389  -6.692   1.897
  175    HG   SER  24           HG       SER  24   2.117  -4.489   1.481
  176    H    TRP  25           HN       TRP  25   1.778  -7.313  -1.675
  177    HA   TRP  25           HA       TRP  25   0.199  -9.737  -0.982
  178   1HB   TRP  25           HB1      TRP  25  -0.329 -10.216  -3.312
  179   2HB   TRP  25           HB2      TRP  25  -0.956  -8.620  -2.898
  180    HD1  TRP  25           HD1      TRP  25   1.287 -10.317  -5.328
  181    HE1  TRP  25           HE1      TRP  25   2.510  -8.537  -6.751
  182    HE3  TRP  25           HE3      TRP  25   0.176  -6.205  -2.611
  183    HZ2  TRP  25           HZ2      TRP  25   2.951  -5.680  -6.697
  184    HZ3  TRP  25           HZ3      TRP  25   0.985  -4.004  -3.259
  185    HH2  TRP  25           HH2      TRP  25   2.376  -3.696  -5.303
  186    H    CYS  26           HN       CYS  26   1.592 -11.415  -0.768
  187    HA   CYS  26           HA       CYS  26   4.299 -11.180  -1.994
  188   1HB   CYS  26           HB1      CYS  26   3.309 -12.170   0.525
  189   2HB   CYS  26           HB2      CYS  26   4.130 -13.472  -0.334
  190    H    ASN  27           HN       ASN  27   4.990 -13.847  -2.091
  191    HA   ASN  27           HA       ASN  27   3.078 -14.925  -4.128
  192   1HB   ASN  27           HB1      ASN  27   5.988 -14.568  -4.117
  193   2HB   ASN  27           HB2      ASN  27   5.499 -16.208  -4.547
  194   1HD2  ASN  27          HD21      ASN  27   5.137 -12.780  -5.477
  195   2HD2  ASN  27          HD22      ASN  27   4.591 -13.093  -7.054
  196    H    ALA  28           HN       ALA  28   3.793 -15.312  -1.032
  197    HA   ALA  28           HA       ALA  28   3.286 -17.085   0.411
  198   1HB   ALA  28           HB3      ALA  28   2.284 -18.036  -2.041
  199   2HB   ALA  28           HB2      ALA  28   3.287 -19.331  -1.388
  200   3HB   ALA  28           HB1      ALA  28   1.956 -18.682  -0.435
  201    H    TRP  29           HN       TRP  29   5.853 -16.826  -1.660
  202    HA   TRP  29           HA       TRP  29   7.501 -18.586   0.067
  203   1HB   TRP  29           HB1      TRP  29   7.654 -18.491  -2.937
  204   2HB   TRP  29           HB2      TRP  29   8.683 -19.419  -1.881
  205    HD1  TRP  29           HD1      TRP  29   4.832 -19.076  -2.353
  206    HE1  TRP  29           HE1      TRP  29   3.845 -21.466  -2.227
  207    HE3  TRP  29           HE3      TRP  29   9.078 -21.666  -1.548
  208    HZ2  TRP  29           HZ2      TRP  29   4.790 -24.163  -1.826
  209    HZ3  TRP  29           HZ3      TRP  29   9.062 -24.152  -1.289
  210    HH2  TRP  29           HH2      TRP  29   6.914 -25.397  -1.429
  211    H    CYS  30           HN       CYS  30   7.017 -15.572  -0.405
  212    HA   CYS  30           HA       CYS  30   9.471 -14.569  -1.574
  213   1HB   CYS  30           HB1      CYS  30   8.708 -12.394  -0.539
  214   2HB   CYS  30           HB2      CYS  30   7.579 -13.139  -1.667
  215    H    SER  31           HN       SER  31   9.904 -16.442   0.709
  216    HA   SER  31           HA       SER  31  10.578 -15.229   3.124
  217   1HB   SER  31           HB1      SER  31  10.905 -17.575   2.987
  218   2HB   SER  31           HB2      SER  31  11.939 -17.432   1.568
  219    HG   SER  31           HG       SER  31  13.021 -17.772   3.653
  220    H    SER  32           HN       SER  32  11.313 -13.092   2.794
  221    HA   SER  32           HA       SER  32  12.787 -11.379   2.131
  222   1HB   SER  32           HB1      SER  32  15.149 -13.046   2.618
  223   2HB   SER  32           HB2      SER  32  14.662 -11.534   3.377
  224    HG   SER  32           HG       SER  32  12.939 -12.988   4.355
  225    H    ARG  33           HN       ARG  33  12.243 -11.610  -0.097
  226    HA   ARG  33           HA       ARG  33  14.600 -12.396  -1.725
  227   1HB   ARG  33           HB1      ARG  33  12.407 -14.060  -1.592
  228   2HB   ARG  33           HB2      ARG  33  12.042 -13.076  -3.011
  229   1HG   ARG  33           HG1      ARG  33  14.644 -14.561  -2.532
  230   2HG   ARG  33           HG2      ARG  33  13.353 -15.095  -3.609
  231   1HD   ARG  33           HD1      ARG  33  13.614 -12.794  -4.753
  232   2HD   ARG  33           HD2      ARG  33  15.139 -12.672  -3.876
  233    HE   ARG  33           HE       ARG  33  15.912 -13.930  -5.730
  234   1HH1  ARG  33          HH11      ARG  33  12.654 -14.637  -5.624
  235   2HH1  ARG  33          HH12      ARG  33  12.812 -16.306  -6.058
  236   1HH2  ARG  33          HH21      ARG  33  16.269 -16.328  -5.780
  237   2HH2  ARG  33          HH22      ARG  33  14.858 -17.264  -6.147
  238    H    GLY  34           HN       GLY  34  11.277 -11.433  -2.597
  239   1HA   GLY  34           HA1      GLY  34  12.122  -8.702  -3.232
  240   2HA   GLY  34           HA2      GLY  34  11.785  -9.697  -4.650
  241    H    LYS  35           HN       LYS  35  10.212  -9.497  -1.448
  242    HA   LYS  35           HA       LYS  35   7.598  -9.979  -2.199
  243   1HB   LYS  35           HB1      LYS  35   8.468  -7.851  -0.218
  244   2HB   LYS  35           HB2      LYS  35   6.890  -8.637  -0.270
  245   1HG   LYS  35           HG1      LYS  35   7.981 -10.821   0.144
  246   2HG   LYS  35           HG2      LYS  35   9.550 -10.018   0.217
  247   1HD   LYS  35           HD1      LYS  35   9.110  -9.060   2.270
  248   2HD   LYS  35           HD2      LYS  35   7.374  -8.970   1.974
  249   1HE   LYS  35           HE1      LYS  35   7.214 -11.427   2.248
  250   2HE   LYS  35           HE2      LYS  35   8.948 -11.498   2.566
  251   1HZ   LYS  35           HZ3      LYS  35   7.675  -9.554   4.203
  252   2HZ   LYS  35           HZ1      LYS  35   6.954 -11.075   4.407
  253   3HZ   LYS  35           HZ2      LYS  35   8.624 -10.888   4.657
  254    H    VAL  36           HN       VAL  36   5.881  -8.753  -3.049
  255    HA   VAL  36           HA       VAL  36   6.692  -6.169  -4.324
  256    HB   VAL  36           HB       VAL  36   4.199  -7.404  -5.279
  257   1HG1  VAL  36          HG13      VAL  36   6.748  -6.348  -6.519
  258   2HG1  VAL  36          HG12      VAL  36   5.425  -7.013  -7.478
  259   3HG1  VAL  36          HG11      VAL  36   5.162  -5.579  -6.487
  260   1HG2  VAL  36          HG23      VAL  36   5.548  -9.452  -4.763
  261   2HG2  VAL  36          HG22      VAL  36   5.249  -9.246  -6.489
  262   3HG2  VAL  36          HG21      VAL  36   6.824  -8.834  -5.812
  263    H    LEU  37           HN       LEU  37   6.110  -5.732  -1.815
  264    HA   LEU  37           HA       LEU  37   3.203  -5.120  -1.660
  265   1HB   LEU  37           HB1      LEU  37   5.331  -5.729   0.381
  266   2HB   LEU  37           HB2      LEU  37   3.826  -4.951   0.839
  267    HG   LEU  37           HG       LEU  37   2.543  -6.833   0.009
  268   1HD1  LEU  37          HD13      LEU  37   5.191  -7.621  -1.154
  269   2HD1  LEU  37          HD12      LEU  37   4.017  -8.876  -0.760
  270   3HD1  LEU  37          HD11      LEU  37   3.601  -7.612  -1.916
  271   1HD2  LEU  37          HD22      LEU  37   4.910  -7.607   1.705
  272   2HD2  LEU  37          HD21      LEU  37   3.292  -7.165   2.247
  273   3HD2  LEU  37          HD23      LEU  37   3.554  -8.694   1.405
  274    H    GLU  38           HN       GLU  38   3.011  -2.991  -2.386
  275    HA   GLU  38           HA       GLU  38   4.610  -0.973  -0.894
  276   1HB   GLU  38           HB1      GLU  38   4.727   0.351  -3.093
  277   2HB   GLU  38           HB2      GLU  38   5.808  -1.032  -2.938
  278   1HG   GLU  38           HG1      GLU  38   4.928  -1.745  -4.899
  279   2HG   GLU  38           HG2      GLU  38   3.485  -2.152  -3.971
  280    H    PHE  39           HN       PHE  39   3.594   1.175  -0.874
  281    HA   PHE  39           HA       PHE  39   0.668   1.016  -1.369
  282   1HB   PHE  39           HB1      PHE  39   2.016   2.787   0.677
  283   2HB   PHE  39           HB2      PHE  39   0.302   2.380   0.562
  284    HD1  PHE  39           HD2      PHE  39   0.848  -0.601  -0.168
  285    HD2  PHE  39           HD1      PHE  39   2.275   1.954   2.972
  286    HE1  PHE  39           HE2      PHE  39   1.226  -2.586   1.265
  287    HE2  PHE  39           HE1      PHE  39   2.652  -0.034   4.413
  288    HZ   PHE  39           HZ       PHE  39   2.129  -2.306   3.557
  289    H    GLY  40           HN       GLY  40  -0.320   2.935  -2.285
  290   1HA   GLY  40           HA1      GLY  40   1.581   5.042  -3.173
  291   2HA   GLY  40           HA2      GLY  40   0.608   4.215  -4.385
  292    H    CYS  41           HN       CYS  41  -0.809   5.799  -5.031
  293    HA   CYS  41           HA       CYS  41  -2.133   7.482  -2.989
  294   1HB   CYS  41           HB1      CYS  41  -1.062   8.287  -5.228
  295   2HB   CYS  41           HB2      CYS  41  -2.529   7.685  -5.968
  296    H    ALA  42           HN       ALA  42  -4.486   7.970  -3.768
  297    HA   ALA  42           HA       ALA  42  -6.110   6.041  -5.037
  298   1HB   ALA  42           HB3      ALA  42  -5.274   5.347  -2.321
  299   2HB   ALA  42           HB2      ALA  42  -7.028   5.405  -2.496
  300   3HB   ALA  42           HB1      ALA  42  -6.071   4.349  -3.536
  301    H    ALA  43           HN       ALA  43  -8.457   6.215  -4.027
  302    HA   ALA  43           HA       ALA  43  -8.929   9.096  -3.466
  303   1HB   ALA  43           HB3      ALA  43 -10.088   7.246  -5.350
  304   2HB   ALA  43           HB2      ALA  43 -11.338   7.856  -4.266
  305   3HB   ALA  43           HB1      ALA  43 -10.356   8.982  -5.203
  306    H    THR  44           HN       THR  44 -10.092   5.812  -2.702
  307    HA   THR  44           HA       THR  44 -10.670   6.706   0.047
  308    HB   THR  44           HB       THR  44 -12.815   7.155  -0.859
  309    HG1  THR  44           HG1      THR  44 -12.612   5.464   0.894
  310   1HG2  THR  44          HG23      THR  44 -11.995   5.247  -2.823
  311   2HG2  THR  44          HG22      THR  44 -13.554   4.737  -2.176
  312   3HG2  THR  44          HG21      THR  44 -13.373   6.345  -2.876
  313    H    CYS  45           HN       CYS  45 -10.697   4.940   1.514
  314    HA   CYS  45           HA       CYS  45  -9.035   2.866   1.259
  315   1HB   CYS  45           HB1      CYS  45 -10.379   3.510   3.280
  316   2HB   CYS  45           HB2      CYS  45 -11.713   2.581   2.605
  317    HA   PRO  46           HA       PRO  46 -11.172   0.522  -1.957
  318   1HB   PRO  46           HB1      PRO  46  -8.952  -0.923  -2.716
  319   2HB   PRO  46           HB2      PRO  46  -9.317   0.708  -3.301
  320   1HG   PRO  46           HG1      PRO  46  -7.232  -0.178  -1.386
  321   2HG   PRO  46           HG2      PRO  46  -7.317   1.312  -2.332
  322   1HD   PRO  46           HD1      PRO  46  -7.956   0.948   0.448
  323   2HD   PRO  46           HD2      PRO  46  -8.104   2.435  -0.512
  324    H    SER  47           HN       SER  47 -12.334  -1.320  -1.535
  325    HA   SER  47           HA       SER  47 -11.247  -3.215   0.498
  326   1HB   SER  47           HB1      SER  47 -14.075  -2.695  -0.464
  327   2HB   SER  47           HB2      SER  47 -13.642  -3.982   0.658
  328    HG   SER  47           HG       SER  47 -13.225  -2.572   2.193
  329    H    VAL  48           HN       VAL  48 -10.014  -3.668  -1.813
  330    HA   VAL  48           HA       VAL  48 -11.558  -5.775  -3.234
  331    HB   VAL  48           HB       VAL  48  -8.967  -4.532  -4.057
  332   1HG1  VAL  48          HG12      VAL  48 -10.457  -6.745  -5.000
  333   2HG1  VAL  48          HG11      VAL  48 -10.655  -5.454  -6.187
  334   3HG1  VAL  48          HG13      VAL  48  -9.040  -6.011  -5.749
  335   1HG2  VAL  48          HG23      VAL  48 -11.808  -3.679  -4.489
  336   2HG2  VAL  48          HG22      VAL  48 -10.399  -2.684  -4.121
  337   3HG2  VAL  48          HG21      VAL  48 -10.605  -3.358  -5.738
  338    H    ASN  49           HN       ASN  49 -11.095  -7.844  -2.646
  339    HA   ASN  49           HA       ASN  49  -8.470  -8.360  -1.398
  340   1HB   ASN  49           HB1      ASN  49 -10.657  -8.820  -0.114
  341   2HB   ASN  49           HB2      ASN  49 -10.859 -10.183  -1.215
  342   1HD2  ASN  49          HD22      ASN  49  -9.015 -11.878   1.362
  343   2HD2  ASN  49          HD21      ASN  49 -10.585 -11.555   0.804
  344    H    THR  50           HN       THR  50  -8.946  -8.270  -4.296
  345    HA   THR  50           HA       THR  50  -9.139 -10.960  -5.323
  346    HB   THR  50           HB       THR  50  -7.559  -9.129  -6.962
  347    HG1  THR  50           HG1      THR  50  -9.166  -7.575  -7.162
  348   1HG2  THR  50          HG22      THR  50 -10.138 -10.664  -7.158
  349   2HG2  THR  50          HG21      THR  50  -9.699  -9.495  -8.403
  350   3HG2  THR  50          HG23      THR  50  -8.652 -10.877  -8.082
  351    H    GLY  51           HN       GLY  51  -7.625 -12.124  -3.933
  352   1HA   GLY  51           HA1      GLY  51  -5.494 -12.908  -3.296
  353   2HA   GLY  51           HA2      GLY  51  -5.118 -12.679  -5.006
  354    H    THR  52           HN       THR  52  -6.088  -9.948  -3.076
  355    HA   THR  52           HA       THR  52  -3.249  -9.086  -2.791
  356    HB   THR  52           HB       THR  52  -5.503  -7.527  -4.086
  357    HG1  THR  52           HG1      THR  52  -2.881  -8.120  -4.978
  358   1HG2  THR  52          HG21      THR  52  -3.334  -6.578  -2.462
  359   2HG2  THR  52          HG23      THR  52  -3.052  -6.090  -4.133
  360   3HG2  THR  52          HG22      THR  52  -4.554  -5.640  -3.323
  361    H    GLU  53           HN       GLU  53  -2.889  -7.782  -0.963
  362    HA   GLU  53           HA       GLU  53  -5.202  -7.577   0.894
  363   1HB   GLU  53           HB1      GLU  53  -2.330  -7.127   1.676
  364   2HB   GLU  53           HB2      GLU  53  -3.675  -7.668   2.679
  365   1HG   GLU  53           HG1      GLU  53  -2.683  -9.324   0.358
  366   2HG   GLU  53           HG2      GLU  53  -1.937  -9.441   1.952
  367    H    ILE  54           HN       ILE  54  -6.055  -5.602  -0.049
  368    HA   ILE  54           HA       ILE  54  -4.246  -3.252   0.062
  369    HB   ILE  54           HB       ILE  54  -6.039  -3.919  -1.840
  370   1HG1  ILE  54          HG11      ILE  54  -5.616  -1.041  -1.039
  371   2HG1  ILE  54          HG12      ILE  54  -4.331  -2.033  -1.729
  372   1HG2  ILE  54          HG21      ILE  54  -7.788  -3.318   0.172
  373   2HG2  ILE  54          HG22      ILE  54  -7.642  -1.763  -0.648
  374   3HG2  ILE  54          HG23      ILE  54  -8.160  -3.189  -1.544
  375   1HD1  ILE  54          HD11      ILE  54  -6.524  -2.479  -3.406
  376   2HD1  ILE  54          HD12      ILE  54  -6.583  -0.751  -3.061
  377   3HD1  ILE  54          HD13      ILE  54  -5.130  -1.459  -3.761
  378    H    LYS  55           HN       LYS  55  -5.097  -1.253   1.098
  379    HA   LYS  55           HA       LYS  55  -7.242  -1.521   3.052
  380   1HB   LYS  55           HB1      LYS  55  -4.358  -1.668   3.869
  381   2HB   LYS  55           HB2      LYS  55  -5.515  -0.863   4.929
  382   1HG   LYS  55           HG1      LYS  55  -6.959  -2.983   4.645
  383   2HG   LYS  55           HG2      LYS  55  -5.501  -3.737   3.995
  384   1HD   LYS  55           HD1      LYS  55  -4.567  -3.916   6.049
  385   2HD   LYS  55           HD2      LYS  55  -5.002  -2.262   6.476
  386   1HE   LYS  55           HE1      LYS  55  -7.331  -4.025   6.314
  387   2HE   LYS  55           HE2      LYS  55  -6.158  -4.569   7.514
  388   1HZ   LYS  55           HZ3      LYS  55  -6.234  -1.906   7.924
  389   2HZ   LYS  55           HZ1      LYS  55  -7.848  -2.237   7.519
  390   3HZ   LYS  55           HZ2      LYS  55  -7.115  -3.052   8.817
  391    H    CYS  56           HN       CYS  56  -6.847   0.581   4.648
  392    HA   CYS  56           HA       CYS  56  -6.558   2.833   2.716
  393   1HB   CYS  56           HB1      CYS  56  -7.577   3.724   5.249
  394   2HB   CYS  56           HB2      CYS  56  -8.391   3.713   3.690
  395    H    CYS  57           HN       CYS  57  -5.118   4.513   3.133
  396    HA   CYS  57           HA       CYS  57  -3.677   4.621   5.688
  397   1HB   CYS  57           HB1      CYS  57  -2.471   2.834   4.490
  398   2HB   CYS  57           HB2      CYS  57  -2.228   3.917   3.119
  399    H    SER  58           HN       SER  58  -2.589   6.598   5.954
  400    HA   SER  58           HA       SER  58  -2.669   8.447   3.646
  401   1HB   SER  58           HB1      SER  58  -4.633   9.106   4.792
  402   2HB   SER  58           HB2      SER  58  -3.866   8.918   6.367
  403    HG   SER  58           HG       SER  58  -3.420  10.945   6.202
  404    H    ALA  59           HN       ALA  59  -0.949   7.138   6.194
  405    HA   ALA  59           HA       ALA  59   1.322   8.873   5.608
  406   1HB   ALA  59           HB3      ALA  59  -0.107   9.075   8.266
  407   2HB   ALA  59           HB2      ALA  59   1.566   9.584   8.042
  408   3HB   ALA  59           HB1      ALA  59   0.274  10.380   7.144
  409    H    ASP  60           HN       ASP  60   1.547   7.853   8.793
  410    HA   ASP  60           HA       ASP  60   3.023   5.423   7.954
  411   1HB   ASP  60           HB1      ASP  60   4.261   6.987   9.401
  412   2HB   ASP  60           HB2      ASP  60   2.966   6.923  10.597
  413    H    LYS  61           HN       LYS  61   0.157   5.614   7.944
  414    HA   LYS  61           HA       LYS  61  -0.590   3.822  10.179
  415   1HB   LYS  61           HB1      LYS  61  -2.035   5.717  10.168
  416   2HB   LYS  61           HB2      LYS  61  -2.209   5.657   8.414
  417   1HG   LYS  61           HG1      LYS  61  -3.621   3.781   8.498
  418   2HG   LYS  61           HG2      LYS  61  -3.077   3.327  10.113
  419   1HD   LYS  61           HD1      LYS  61  -4.199   5.988  10.162
  420   2HD   LYS  61           HD2      LYS  61  -5.351   4.866   9.438
  421   1HE   LYS  61           HE1      LYS  61  -4.633   3.329  11.474
  422   2HE   LYS  61           HE2      LYS  61  -4.182   4.872  12.199
  423   1HZ   LYS  61           HZ1      LYS  61  -6.756   4.884  10.904
  424   2HZ   LYS  61           HZ2      LYS  61  -6.660   3.823  12.227
  425   3HZ   LYS  61           HZ3      LYS  61  -6.307   5.472  12.430
  426    H    CYS  62           HN       CYS  62   0.475   3.636   7.111
  427    HA   CYS  62           HA       CYS  62  -1.349   2.007   5.713
  428   1HB   CYS  62           HB1      CYS  62   1.681   1.899   5.732
  429   2HB   CYS  62           HB2      CYS  62   0.662   1.087   4.549
  430    H    ASN  63           HN       ASN  63   0.597   1.283   8.492
  431    HA   ASN  63           HA       ASN  63   0.087  -1.621   8.161
  432   1HB   ASN  63           HB1      ASN  63   1.593  -1.688  10.283
  433   2HB   ASN  63           HB2      ASN  63   2.346  -1.307   8.734
  434   1HD2  ASN  63          HD22      ASN  63   2.231   1.501  11.675
  435   2HD2  ASN  63          HD21      ASN  63   1.515  -0.024  11.891
  436    H    THR  64           HN       THR  64  -2.205  -1.439   8.674
  437    HA   THR  64           HA       THR  64  -2.807  -0.640  11.480
  438    HB   THR  64           HB       THR  64  -5.170  -1.382  10.110
  439    HG1  THR  64           HG1      THR  64  -3.829   0.587   8.645
  440   1HG2  THR  64          HG21      THR  64  -3.864   1.181  11.004
  441   2HG2  THR  64          HG23      THR  64  -5.472   1.165  10.280
  442   3HG2  THR  64          HG22      THR  64  -5.172   0.290  11.782
  443    H    TYR  65           HN       TYR  65  -3.642  -2.166  12.939
  444    HA   TYR  65           HA       TYR  65  -4.522  -4.751  12.137
  445   1HB   TYR  65           HB1      TYR  65  -2.020  -4.908  11.879
  446   2HB   TYR  65           HB2      TYR  65  -1.896  -4.615  13.612
  447    HD1  TYR  65           HD2      TYR  65  -4.243  -6.679  11.530
  448    HD2  TYR  65           HD1      TYR  65  -1.355  -6.608  14.712
  449    HE1  TYR  65           HE2      TYR  65  -4.660  -9.086  11.962
  450    HE2  TYR  65           HE1      TYR  65  -1.773  -9.015  15.145
  451    HH   TYR  65           HH       TYR  65  -4.419 -10.665  13.948
  452    HA   PRO  66           HA       PRO  66  -5.846  -3.261  16.291
  453   1HB   PRO  66           HB1      PRO  66  -8.538  -3.348  15.716
  454   2HB   PRO  66           HB2      PRO  66  -7.519  -1.924  15.445
  455   1HG   PRO  66           HG1      PRO  66  -8.616  -3.883  13.468
  456   2HG   PRO  66           HG2      PRO  66  -8.184  -2.182  13.236
  457   1HD   PRO  66           HD1      PRO  66  -6.630  -4.432  12.466
  458   2HD   PRO  66           HD2      PRO  66  -6.072  -2.746  12.527
   
  No H/Q in entry =         458
  Start of MODEL    5
    1   1H    ARG   1           HT3      ARG   1   1.509  14.914  -0.642
    2   2H    ARG   1           HT1      ARG   1   2.490  15.190  -1.997
    3   3H    ARG   1           HT2      ARG   1   1.130  14.179  -2.126
    4    HA   ARG   1           HA       ARG   1   2.663  12.562  -1.905
    5   1HB   ARG   1           HB1      ARG   1   4.253  14.820  -0.903
    6   2HB   ARG   1           HB2      ARG   1   4.640  13.282  -0.131
    7   1HG   ARG   1           HG1      ARG   1   5.533  12.417  -2.040
    8   2HG   ARG   1           HG2      ARG   1   4.281  13.131  -3.058
    9   1HD   ARG   1           HD1      ARG   1   6.170  14.340  -3.714
   10   2HD   ARG   1           HD2      ARG   1   5.492  15.389  -2.469
   11    HE   ARG   1           HE       ARG   1   7.557  13.420  -1.650
   12   1HH1  ARG   1          HH21      ARG   1   6.492  15.839  -0.070
   13   2HH1  ARG   1          HH22      ARG   1   7.831  16.928  -0.213
   14   1HH2  ARG   1          HH11      ARG   1   9.325  15.170  -2.803
   15   2HH2  ARG   1          HH12      ARG   1   9.435  16.549  -1.760
   16    H    GLU   2           HN       GLU   2   1.557  11.085  -0.671
   17    HA   GLU   2           HA       GLU   2   1.637  11.480   2.280
   18   1HB   GLU   2           HB1      GLU   2  -0.737  11.177   0.536
   19   2HB   GLU   2           HB2      GLU   2  -0.735  10.175   1.988
   20   1HG   GLU   2           HG1      GLU   2  -1.546  12.036   3.013
   21   2HG   GLU   2           HG2      GLU   2   0.128  12.590   2.973
   22    H    CYS   3           HN       CYS   3   3.389   9.921   0.808
   23    HA   CYS   3           HA       CYS   3   2.932   7.300   2.032
   24   1HB   CYS   3           HB1      CYS   3   3.501   7.338  -0.933
   25   2HB   CYS   3           HB2      CYS   3   2.989   5.976   0.061
   26    H    TYR   4           HN       TYR   4   4.867   9.143  -0.258
   27    HA   TYR   4           HA       TYR   4   7.169   9.253  -0.608
   28   1HB   TYR   4           HB1      TYR   4   8.245   9.170   1.953
   29   2HB   TYR   4           HB2      TYR   4   7.701  10.609   1.096
   30    HD1  TYR   4           HD1      TYR   4   5.221  11.287   1.319
   31    HD2  TYR   4           HD2      TYR   4   7.117   8.441   3.921
   32    HE1  TYR   4           HE1      TYR   4   3.417  11.614   2.990
   33    HE2  TYR   4           HE2      TYR   4   5.312   8.766   5.592
   34    HH   TYR   4           HH       TYR   4   2.751  11.179   5.081
   35    H    LEU   5           HN       LEU   5   7.542   7.277   2.334
   36    HA   LEU   5           HA       LEU   5   8.529   5.189   0.564
   37   1HB   LEU   5           HB1      LEU   5   9.923   6.401   2.865
   38   2HB   LEU   5           HB2      LEU   5  10.325   4.792   2.292
   39    HG   LEU   5           HG       LEU   5  10.111   6.926   0.237
   40   1HD1  LEU   5          HD13      LEU   5  11.320   8.039   2.118
   41   2HD1  LEU   5          HD12      LEU   5  12.501   6.728   2.095
   42   3HD1  LEU   5          HD11      LEU   5  12.345   7.799   0.703
   43   1HD2  LEU   5          HD23      LEU   5  11.340   4.316   0.630
   44   2HD2  LEU   5          HD21      LEU   5  11.008   5.177  -0.874
   45   3HD2  LEU   5          HD22      LEU   5  12.503   5.486   0.009
   46    H    ASN   6           HN       ASN   6   7.650   5.819   3.967
   47    HA   ASN   6           HA       ASN   6   6.836   4.319   5.581
   48   1HB   ASN   6           HB1      ASN   6   4.775   3.468   5.007
   49   2HB   ASN   6           HB2      ASN   6   5.009   4.514   3.616
   50   1HD2  ASN   6          HD22      ASN   6   4.469   1.754   1.500
   51   2HD2  ASN   6          HD21      ASN   6   4.082   3.358   1.900
   52    HA   PRO   7           HA       PRO   7   9.044   0.512   5.458
   53   1HB   PRO   7           HB1      PRO   7   7.297  -1.360   6.469
   54   2HB   PRO   7           HB2      PRO   7   8.077  -0.111   7.455
   55   1HG   PRO   7           HG1      PRO   7   5.250  -0.293   6.508
   56   2HG   PRO   7           HG2      PRO   7   5.905   0.554   7.920
   57   1HD   PRO   7           HD1      PRO   7   5.161   1.712   5.418
   58   2HD   PRO   7           HD2      PRO   7   6.024   2.524   6.743
   59    H    HIS   8           HN       HIS   8   8.022   0.993   2.863
   60    HA   HIS   8           HA       HIS   8   7.977  -1.691   1.752
   61   1HB   HIS   8           HB1      HIS   8   5.453  -0.056   1.901
   62   2HB   HIS   8           HB2      HIS   8   5.710  -1.178   0.568
   63    HD1  HIS   8           HD1      HIS   8   6.374  -3.738   1.418
   64    HD2  HIS   8           HD2      HIS   8   4.443  -1.267   4.165
   65    HE1  HIS   8           HE1      HIS   8   5.391  -5.262   3.185
   66    H    ASP   9           HN       ASP   9   7.037  -1.211  -0.769
   67    HA   ASP   9           HA       ASP   9   9.123   0.330  -1.979
   68   1HB   ASP   9           HB1      ASP   9   7.350  -1.514  -2.898
   69   2HB   ASP   9           HB2      ASP   9   6.628  -0.037  -3.536
   70    H    THR  10           HN       THR  10   5.772   1.114  -1.158
   71    HA   THR  10           HA       THR  10   4.693   3.171  -0.974
   72    HB   THR  10           HB       THR  10   6.828   5.046  -1.303
   73    HG1  THR  10           HG1      THR  10   8.461   3.865  -0.738
   74   1HG2  THR  10          HG21      THR  10   4.749   4.862   0.273
   75   2HG2  THR  10          HG23      THR  10   5.857   4.002   1.332
   76   3HG2  THR  10          HG22      THR  10   6.206   5.649   0.852
   77    H    GLN  11           HN       GLN  11   4.537   5.389  -2.130
   78    HA   GLN  11           HA       GLN  11   5.493   5.826  -4.737
   79   1HB   GLN  11           HB1      GLN  11   4.317   3.897  -5.525
   80   2HB   GLN  11           HB2      GLN  11   2.891   4.288  -4.567
   81   1HG   GLN  11           HG1      GLN  11   2.365   6.164  -5.961
   82   2HG   GLN  11           HG2      GLN  11   3.937   6.096  -6.758
   83   1HE2  GLN  11          HE22      GLN  11   3.013   3.169  -8.716
   84   2HE2  GLN  11          HE21      GLN  11   4.339   3.817  -7.878
   85    H    THR  12           HN       THR  12   5.523   7.797  -3.480
   86    HA   THR  12           HA       THR  12   3.787   9.287  -2.155
   87    HB   THR  12           HB       THR  12   4.527  11.318  -3.422
   88    HG1  THR  12           HG1      THR  12   6.102   9.602  -4.975
   89   1HG2  THR  12          HG22      THR  12   6.637   9.238  -2.785
   90   2HG2  THR  12          HG21      THR  12   6.945  10.965  -2.968
   91   3HG2  THR  12          HG23      THR  12   5.929  10.385  -1.649
   92    H    CYS  13           HN       CYS  13   1.993  10.615  -2.444
   93    HA   CYS  13           HA       CYS  13   0.432  10.216  -4.967
   94   1HB   CYS  13           HB1      CYS  13  -0.650   8.986  -3.158
   95   2HB   CYS  13           HB2      CYS  13  -0.539  10.386  -2.096
   96    HA   PRO  14           HA       PRO  14   1.161  14.726  -4.050
   97   1HB   PRO  14           HB1      PRO  14   2.346  15.300  -6.467
   98   2HB   PRO  14           HB2      PRO  14   3.242  14.798  -5.024
   99   1HG   PRO  14           HG1      PRO  14   2.555  13.229  -7.481
  100   2HG   PRO  14           HG2      PRO  14   3.939  13.050  -6.389
  101   1HD   PRO  14           HD1      PRO  14   1.618  11.429  -6.414
  102   2HD   PRO  14           HD2      PRO  14   2.825  11.502  -5.114
  103    H    SER  15           HN       SER  15   0.590  13.680  -7.440
  104    HA   SER  15           HA       SER  15  -1.663  15.616  -7.565
  105   1HB   SER  15           HB1      SER  15  -0.598  14.028  -9.895
  106   2HB   SER  15           HB2      SER  15  -1.410  15.591  -9.908
  107    HG   SER  15           HG       SER  15   1.060  15.384 -10.066
  108    H    GLY  16           HN       GLY  16  -3.393  14.633  -9.312
  109   1HA   GLY  16           HA1      GLY  16  -4.978  12.933  -9.767
  110   2HA   GLY  16           HA2      GLY  16  -3.967  11.798  -8.870
  111    H    GLN  17           HN       GLN  17  -4.017  12.036  -6.463
  112    HA   GLN  17           HA       GLN  17  -6.461  13.369  -5.423
  113   1HB   GLN  17           HB1      GLN  17  -5.752  10.461  -4.917
  114   2HB   GLN  17           HB2      GLN  17  -7.088  11.337  -4.169
  115   1HG   GLN  17           HG1      GLN  17  -8.363  10.741  -5.931
  116   2HG   GLN  17           HG2      GLN  17  -7.353  11.775  -6.939
  117   1HE2  GLN  17          HE22      GLN  17  -6.017   9.028  -8.672
  118   2HE2  GLN  17          HE21      GLN  17  -6.388  10.684  -8.652
  119    H    GLU  18           HN       GLU  18  -6.199  12.234  -2.802
  120    HA   GLU  18           HA       GLU  18  -3.444  13.037  -2.000
  121   1HB   GLU  18           HB1      GLU  18  -6.056  14.178  -0.997
  122   2HB   GLU  18           HB2      GLU  18  -4.586  14.240  -0.023
  123   1HG   GLU  18           HG1      GLU  18  -4.352  15.115  -2.860
  124   2HG   GLU  18           HG2      GLU  18  -5.247  16.180  -1.774
  125    H    ILE  19           HN       ILE  19  -5.190  10.497  -2.153
  126    HA   ILE  19           HA       ILE  19  -5.059   9.722   0.727
  127    HB   ILE  19           HB       ILE  19  -6.336   8.133  -1.481
  128   1HG1  ILE  19          HG11      ILE  19  -7.082  10.768  -0.776
  129   2HG1  ILE  19          HG12      ILE  19  -8.025   9.622  -1.713
  130   1HG2  ILE  19          HG21      ILE  19  -5.891   7.188   0.828
  131   2HG2  ILE  19          HG23      ILE  19  -7.035   8.368   1.458
  132   3HG2  ILE  19          HG22      ILE  19  -7.579   7.135   0.319
  133   1HD1  ILE  19          HD12      ILE  19  -8.971   8.731   0.436
  134   2HD1  ILE  19          HD13      ILE  19  -8.114  10.013   1.292
  135   3HD1  ILE  19          HD11      ILE  19  -9.383  10.419   0.137
  136    H    CYS  20           HN       CYS  20  -4.148   7.643   1.195
  137    HA   CYS  20           HA       CYS  20  -2.203   6.698  -0.872
  138   1HB   CYS  20           HB1      CYS  20  -1.189   8.017   1.087
  139   2HB   CYS  20           HB2      CYS  20  -1.658   6.657   2.104
  140    H    TYR  21           HN       TYR  21  -2.671   4.617  -1.408
  141    HA   TYR  21           HA       TYR  21  -4.213   3.012   0.572
  142   1HB   TYR  21           HB1      TYR  21  -4.980   1.683  -1.216
  143   2HB   TYR  21           HB2      TYR  21  -4.918   3.296  -1.924
  144    HD1  TYR  21           HD2      TYR  21  -2.952   0.137  -1.548
  145    HD2  TYR  21           HD1      TYR  21  -3.571   3.736  -3.807
  146    HE1  TYR  21           HE2      TYR  21  -1.367  -0.676  -3.274
  147    HE2  TYR  21           HE1      TYR  21  -1.986   2.925  -5.536
  148    HH   TYR  21           HH       TYR  21  -0.373  -0.243  -5.204
  149    H    VAL  22           HN       VAL  22  -3.488   0.787   1.001
  150    HA   VAL  22           HA       VAL  22  -0.571   0.473   0.439
  151    HB   VAL  22           HB       VAL  22  -0.199  -0.362   2.664
  152   1HG1  VAL  22          HG13      VAL  22  -1.944   2.120   2.659
  153   2HG1  VAL  22          HG11      VAL  22  -1.002   1.590   4.052
  154   3HG1  VAL  22          HG12      VAL  22  -0.185   2.058   2.562
  155   1HG2  VAL  22          HG23      VAL  22  -3.202  -0.371   2.765
  156   2HG2  VAL  22          HG22      VAL  22  -2.075  -1.663   3.176
  157   3HG2  VAL  22          HG21      VAL  22  -2.261  -0.280   4.255
  158    H    LYS  23           HN       LYS  23  -0.442  -1.195  -0.967
  159    HA   LYS  23           HA       LYS  23  -2.341  -3.469  -0.689
  160   1HB   LYS  23           HB1      LYS  23  -0.544  -2.481  -2.902
  161   2HB   LYS  23           HB2      LYS  23  -1.175  -4.128  -2.924
  162   1HG   LYS  23           HG1      LYS  23  -3.430  -3.370  -2.997
  163   2HG   LYS  23           HG2      LYS  23  -2.971  -1.726  -2.549
  164   1HD   LYS  23           HD1      LYS  23  -2.999  -1.299  -4.777
  165   2HD   LYS  23           HD2      LYS  23  -1.472  -2.180  -4.831
  166   1HE   LYS  23           HE1      LYS  23  -3.891  -3.881  -4.843
  167   2HE   LYS  23           HE2      LYS  23  -3.690  -2.869  -6.274
  168   1HZ   LYS  23           HZ1      LYS  23  -1.240  -3.747  -6.076
  169   2HZ   LYS  23           HZ2      LYS  23  -1.999  -5.038  -5.272
  170   3HZ   LYS  23           HZ3      LYS  23  -2.436  -4.652  -6.868
  171    H    SER  24           HN       SER  24  -1.615  -5.394   0.133
  172    HA   SER  24           HA       SER  24   1.322  -5.859   0.171
  173   1HB   SER  24           HB1      SER  24   0.419  -6.990   2.544
  174   2HB   SER  24           HB2      SER  24   1.315  -5.480   2.399
  175    HG   SER  24           HG       SER  24  -1.013  -5.667   3.386
  176    H    TRP  25           HN       TRP  25   1.535  -7.657  -1.069
  177    HA   TRP  25           HA       TRP  25  -0.129 -10.025  -0.344
  178   1HB   TRP  25           HB1      TRP  25  -0.475 -10.542  -2.721
  179   2HB   TRP  25           HB2      TRP  25  -1.144  -8.955  -2.334
  180    HD1  TRP  25           HD1      TRP  25   1.333 -10.618  -4.571
  181    HE1  TRP  25           HE1      TRP  25   2.583  -8.816  -5.940
  182    HE3  TRP  25           HE3      TRP  25  -0.119  -6.514  -2.015
  183    HZ2  TRP  25           HZ2      TRP  25   2.920  -5.946  -5.902
  184    HZ3  TRP  25           HZ3      TRP  25   0.665  -4.299  -2.635
  185    HH2  TRP  25           HH2      TRP  25   2.183  -3.966  -4.581
  186    H    CYS  26           HN       CYS  26   1.116 -11.824  -0.130
  187    HA   CYS  26           HA       CYS  26   3.944 -11.679  -1.041
  188   1HB   CYS  26           HB1      CYS  26   4.188 -12.407   1.110
  189   2HB   CYS  26           HB2      CYS  26   2.514 -12.926   1.219
  190    H    ASN  27           HN       ASN  27   4.794 -13.934  -1.831
  191    HA   ASN  27           HA       ASN  27   2.822 -14.944  -3.826
  192   1HB   ASN  27           HB1      ASN  27   5.845 -15.204  -3.764
  193   2HB   ASN  27           HB2      ASN  27   4.792 -15.768  -5.060
  194   1HD2  ASN  27          HD22      ASN  27   5.847 -12.487  -6.272
  195   2HD2  ASN  27          HD21      ASN  27   6.437 -14.075  -6.160
  196    H    ALA  28           HN       ALA  28   4.052 -17.414  -4.380
  197    HA   ALA  28           HA       ALA  28   3.174 -18.920  -2.027
  198   1HB   ALA  28           HB2      ALA  28   4.032 -19.737  -4.799
  199   2HB   ALA  28           HB1      ALA  28   3.646 -20.912  -3.541
  200   3HB   ALA  28           HB3      ALA  28   2.408 -19.793  -4.112
  201    H    TRP  29           HN       TRP  29   6.022 -17.547  -2.840
  202    HA   TRP  29           HA       TRP  29   7.518 -19.524  -1.209
  203   1HB   TRP  29           HB1      TRP  29   8.439 -18.380  -3.834
  204   2HB   TRP  29           HB2      TRP  29   9.421 -19.330  -2.754
  205    HD1  TRP  29           HD1      TRP  29   5.919 -19.772  -4.422
  206    HE1  TRP  29           HE1      TRP  29   5.762 -22.240  -5.182
  207    HE3  TRP  29           HE3      TRP  29  10.407 -21.414  -2.808
  208    HZ2  TRP  29           HZ2      TRP  29   7.381 -24.624  -5.097
  209    HZ3  TRP  29           HZ3      TRP  29  11.121 -23.786  -3.137
  210    HH2  TRP  29           HH2      TRP  29   9.604 -25.388  -4.282
  211    H    CYS  30           HN       CYS  30   6.430 -16.646  -0.890
  212    HA   CYS  30           HA       CYS  30   8.750 -14.931  -0.797
  213   1HB   CYS  30           HB1      CYS  30   7.381 -13.341   0.331
  214   2HB   CYS  30           HB2      CYS  30   6.376 -14.124  -0.885
  215    H    SER  31           HN       SER  31   8.655 -17.602   0.905
  216    HA   SER  31           HA       SER  31   8.686 -17.141   3.626
  217   1HB   SER  31           HB1      SER  31   9.242 -19.335   2.740
  218   2HB   SER  31           HB2      SER  31  10.715 -18.707   2.004
  219    HG   SER  31           HG       SER  31  10.702 -19.776   4.252
  220    H    SER  32           HN       SER  32   9.280 -14.991   4.097
  221    HA   SER  32           HA       SER  32  10.699 -13.124   4.305
  222   1HB   SER  32           HB1      SER  32  12.926 -14.954   4.998
  223   2HB   SER  32           HB2      SER  32  12.327 -13.537   5.854
  224    HG   SER  32           HG       SER  32  11.815 -16.016   6.438
  225    H    ARG  33           HN       ARG  33  10.688 -12.967   1.949
  226    HA   ARG  33           HA       ARG  33  13.479 -13.213   0.915
  227   1HB   ARG  33           HB1      ARG  33  10.944 -14.217  -0.319
  228   2HB   ARG  33           HB2      ARG  33  12.205 -13.592  -1.382
  229   1HG   ARG  33           HG1      ARG  33  12.923 -15.547   0.785
  230   2HG   ARG  33           HG2      ARG  33  12.215 -16.135  -0.720
  231   1HD   ARG  33           HD1      ARG  33  14.530 -16.187  -1.156
  232   2HD   ARG  33           HD2      ARG  33  14.022 -14.659  -1.876
  233    HE   ARG  33           HE       ARG  33  15.068 -13.491  -0.033
  234   1HH1  ARG  33          HH21      ARG  33  14.613 -16.600   1.107
  235   2HH1  ARG  33          HH22      ARG  33  16.179 -16.761   1.832
  236   1HH2  ARG  33          HH11      ARG  33  17.404 -13.820   0.462
  237   2HH2  ARG  33          HH12      ARG  33  17.759 -15.185   1.467
  238    H    GLY  34           HN       GLY  34  10.971 -12.135  -1.221
  239   1HA   GLY  34           HA1      GLY  34  11.518  -9.294  -0.546
  240   2HA   GLY  34           HA2      GLY  34  11.855  -9.846  -2.188
  241    H    LYS  35           HN       LYS  35   9.179 -10.318   0.153
  242    HA   LYS  35           HA       LYS  35   7.088 -10.695  -1.624
  243   1HB   LYS  35           HB1      LYS  35   6.768  -8.831   0.730
  244   2HB   LYS  35           HB2      LYS  35   5.609  -9.994   0.087
  245   1HG   LYS  35           HG1      LYS  35   6.364 -11.406   1.688
  246   2HG   LYS  35           HG2      LYS  35   7.819 -11.561   0.703
  247   1HD   LYS  35           HD1      LYS  35   8.472 -10.946   2.967
  248   2HD   LYS  35           HD2      LYS  35   8.769  -9.571   1.902
  249   1HE   LYS  35           HE1      LYS  35   7.352  -8.292   3.097
  250   2HE   LYS  35           HE2      LYS  35   6.059  -9.473   2.893
  251   1HZ   LYS  35           HZ1      LYS  35   8.217  -9.669   4.922
  252   2HZ   LYS  35           HZ2      LYS  35   6.651  -9.087   5.232
  253   3HZ   LYS  35           HZ3      LYS  35   6.882 -10.704   4.762
  254    H    VAL  36           HN       VAL  36   5.516  -9.198  -2.577
  255    HA   VAL  36           HA       VAL  36   6.820  -6.644  -3.397
  256    HB   VAL  36           HB       VAL  36   4.333  -7.338  -4.777
  257   1HG1  VAL  36          HG13      VAL  36   6.555  -5.842  -5.273
  258   2HG1  VAL  36          HG12      VAL  36   6.931  -7.299  -6.193
  259   3HG1  VAL  36          HG11      VAL  36   5.450  -6.400  -6.528
  260   1HG2  VAL  36          HG22      VAL  36   6.591  -9.338  -4.645
  261   2HG2  VAL  36          HG21      VAL  36   4.855  -9.630  -4.537
  262   3HG2  VAL  36          HG23      VAL  36   5.581  -9.206  -6.087
  263    H    LEU  37           HN       LEU  37   6.104  -5.934  -1.120
  264    HA   LEU  37           HA       LEU  37   3.224  -5.222  -1.057
  265   1HB   LEU  37           HB1      LEU  37   5.388  -5.534   1.016
  266   2HB   LEU  37           HB2      LEU  37   3.895  -4.686   1.379
  267    HG   LEU  37           HG       LEU  37   2.611  -6.609   1.239
  268   1HD1  LEU  37          HD13      LEU  37   3.274  -7.151  -1.096
  269   2HD1  LEU  37          HD12      LEU  37   4.754  -7.889  -0.487
  270   3HD1  LEU  37          HD11      LEU  37   3.187  -8.594  -0.089
  271   1HD2  LEU  37          HD21      LEU  37   5.372  -7.307   2.142
  272   2HD2  LEU  37          HD23      LEU  37   3.885  -7.182   3.083
  273   3HD2  LEU  37          HD22      LEU  37   4.156  -8.581   2.044
  274    H    GLU  38           HN       GLU  38   2.954  -3.218  -2.006
  275    HA   GLU  38           HA       GLU  38   4.725  -1.029  -1.021
  276   1HB   GLU  38           HB1      GLU  38   4.768  -0.066  -3.303
  277   2HB   GLU  38           HB2      GLU  38   5.524  -1.659  -3.252
  278   1HG   GLU  38           HG1      GLU  38   2.755  -2.074  -3.725
  279   2HG   GLU  38           HG2      GLU  38   3.272  -0.789  -4.817
  280    H    PHE  39           HN       PHE  39   3.708   0.988  -0.841
  281    HA   PHE  39           HA       PHE  39   0.762   0.964  -1.207
  282   1HB   PHE  39           HB1      PHE  39   2.297   2.737   0.701
  283   2HB   PHE  39           HB2      PHE  39   0.565   2.403   0.693
  284    HD1  PHE  39           HD2      PHE  39   1.052  -0.648   0.015
  285    HD2  PHE  39           HD1      PHE  39   2.537   2.007   3.050
  286    HE1  PHE  39           HE2      PHE  39   1.420  -2.581   1.523
  287    HE2  PHE  39           HE1      PHE  39   2.904   0.072   4.560
  288    HZ   PHE  39           HZ       PHE  39   2.348  -2.223   3.796
  289    H    GLY  40           HN       GLY  40  -0.158   2.824  -2.269
  290   1HA   GLY  40           HA1      GLY  40   1.823   4.843  -3.201
  291   2HA   GLY  40           HA2      GLY  40   0.831   4.010  -4.392
  292    H    CYS  41           HN       CYS  41  -0.328   5.774  -5.114
  293    HA   CYS  41           HA       CYS  41  -1.734   7.477  -3.162
  294   1HB   CYS  41           HB1      CYS  41  -0.520   8.610  -4.931
  295   2HB   CYS  41           HB2      CYS  41  -1.358   7.686  -6.162
  296    H    ALA  42           HN       ALA  42  -3.946   7.980  -3.564
  297    HA   ALA  42           HA       ALA  42  -5.633   6.383  -5.275
  298   1HB   ALA  42           HB2      ALA  42  -4.819   5.059  -2.973
  299   2HB   ALA  42           HB1      ALA  42  -6.405   5.699  -2.541
  300   3HB   ALA  42           HB3      ALA  42  -6.229   4.654  -3.950
  301    H    ALA  43           HN       ALA  43  -8.008   6.591  -4.343
  302    HA   ALA  43           HA       ALA  43  -8.350   9.425  -3.521
  303   1HB   ALA  43           HB1      ALA  43 -10.004   7.593  -5.252
  304   2HB   ALA  43           HB3      ALA  43 -10.670   9.080  -4.577
  305   3HB   ALA  43           HB2      ALA  43  -9.294   9.149  -5.678
  306    H    THR  44           HN       THR  44  -9.603   6.122  -3.030
  307    HA   THR  44           HA       THR  44 -10.432   6.921  -0.313
  308    HB   THR  44           HB       THR  44 -12.428   7.332  -1.734
  309    HG1  THR  44           HG1      THR  44 -13.588   6.548  -0.178
  310   1HG2  THR  44          HG23      THR  44 -11.813   5.620  -3.463
  311   2HG2  THR  44          HG22      THR  44 -12.291   4.365  -2.321
  312   3HG2  THR  44          HG21      THR  44 -13.489   5.509  -2.925
  313    H    CYS  45           HN       CYS  45 -10.073   5.274   1.099
  314    HA   CYS  45           HA       CYS  45  -8.530   3.128   0.754
  315   1HB   CYS  45           HB1      CYS  45  -9.563   3.906   2.893
  316   2HB   CYS  45           HB2      CYS  45 -11.029   3.046   2.435
  317    HA   PRO  46           HA       PRO  46 -11.146   0.736  -2.068
  318   1HB   PRO  46           HB1      PRO  46  -9.086  -0.789  -3.074
  319   2HB   PRO  46           HB2      PRO  46  -9.493   0.831  -3.665
  320   1HG   PRO  46           HG1      PRO  46  -7.197  -0.047  -1.983
  321   2HG   PRO  46           HG2      PRO  46  -7.343   1.378  -3.020
  322   1HD   PRO  46           HD1      PRO  46  -7.599   1.273  -0.174
  323   2HD   PRO  46           HD2      PRO  46  -7.910   2.671  -1.226
  324    H    SER  47           HN       SER  47 -10.951  -1.882  -2.500
  325    HA   SER  47           HA       SER  47 -10.853  -3.085   0.235
  326   1HB   SER  47           HB1      SER  47 -13.012  -3.012  -1.317
  327   2HB   SER  47           HB2      SER  47 -12.251  -4.421  -2.049
  328    HG   SER  47           HG       SER  47 -12.911  -4.062   0.678
  329    H    VAL  48           HN       VAL  48 -11.039  -5.786  -0.981
  330    HA   VAL  48           HA       VAL  48  -8.182  -6.038  -1.772
  331    HB   VAL  48           HB       VAL  48 -10.076  -7.913  -0.424
  332   1HG1  VAL  48          HG11      VAL  48  -7.952  -8.575  -2.232
  333   2HG1  VAL  48          HG13      VAL  48  -7.484  -9.055  -0.601
  334   3HG1  VAL  48          HG12      VAL  48  -8.979  -9.669  -1.306
  335   1HG2  VAL  48          HG21      VAL  48  -8.121  -6.069   0.463
  336   2HG2  VAL  48          HG23      VAL  48  -9.011  -7.237   1.439
  337   3HG2  VAL  48          HG22      VAL  48  -7.458  -7.681   0.733
  338    H    ASN  49           HN       ASN  49  -8.788  -5.507  -4.024
  339    HA   ASN  49           HA       ASN  49 -10.673  -6.768  -5.614
  340   1HB   ASN  49           HB1      ASN  49  -9.253  -4.986  -6.477
  341   2HB   ASN  49           HB2      ASN  49  -7.830  -6.020  -6.353
  342   1HD2  ASN  49          HD22      ASN  49  -8.373  -7.079  -9.666
  343   2HD2  ASN  49          HD21      ASN  49  -7.285  -6.483  -8.507
  344    H    THR  50           HN       THR  50  -7.503  -7.850  -6.568
  345    HA   THR  50           HA       THR  50  -8.426 -10.587  -6.789
  346    HB   THR  50           HB       THR  50  -6.649  -9.429  -8.229
  347    HG1  THR  50           HG1      THR  50  -5.359 -11.402  -8.244
  348   1HG2  THR  50          HG23      THR  50  -5.452  -9.093  -5.700
  349   2HG2  THR  50          HG22      THR  50  -4.454 -10.271  -6.552
  350   3HG2  THR  50          HG21      THR  50  -4.757  -8.689  -7.270
  351    H    GLY  51           HN       GLY  51  -5.679 -11.569  -5.776
  352   1HA   GLY  51           HA1      GLY  51  -6.562 -11.973  -2.990
  353   2HA   GLY  51           HA2      GLY  51  -5.219 -12.805  -3.782
  354    H    THR  52           HN       THR  52  -5.856  -9.319  -3.632
  355    HA   THR  52           HA       THR  52  -3.184  -8.956  -2.372
  356    HB   THR  52           HB       THR  52  -4.916  -7.253  -4.168
  357    HG1  THR  52           HG1      THR  52  -2.310  -8.318  -4.171
  358   1HG2  THR  52          HG22      THR  52  -3.175  -6.336  -2.007
  359   2HG2  THR  52          HG21      THR  52  -2.651  -5.738  -3.581
  360   3HG2  THR  52          HG23      THR  52  -4.289  -5.414  -3.016
  361    H    GLU  53           HN       GLU  53  -3.082  -8.081  -0.325
  362    HA   GLU  53           HA       GLU  53  -5.637  -7.494   1.019
  363   1HB   GLU  53           HB1      GLU  53  -2.952  -7.225   2.336
  364   2HB   GLU  53           HB2      GLU  53  -4.486  -7.749   3.033
  365   1HG   GLU  53           HG1      GLU  53  -3.956  -9.595   0.988
  366   2HG   GLU  53           HG2      GLU  53  -2.400  -9.337   1.778
  367    H    ILE  54           HN       ILE  54  -6.341  -5.446   0.389
  368    HA   ILE  54           HA       ILE  54  -4.361  -3.245   0.416
  369    HB   ILE  54           HB       ILE  54  -6.729  -3.833  -1.104
  370   1HG1  ILE  54          HG11      ILE  54  -5.396  -1.243  -1.523
  371   2HG1  ILE  54          HG12      ILE  54  -4.293  -2.617  -1.441
  372   1HG2  ILE  54          HG23      ILE  54  -6.832  -1.260   0.487
  373   2HG2  ILE  54          HG22      ILE  54  -7.736  -1.502  -1.005
  374   3HG2  ILE  54          HG21      ILE  54  -8.063  -2.517   0.400
  375   1HD1  ILE  54          HD13      ILE  54  -5.886  -3.787  -3.083
  376   2HD1  ILE  54          HD11      ILE  54  -6.618  -2.201  -3.329
  377   3HD1  ILE  54          HD12      ILE  54  -4.922  -2.461  -3.735
  378    H    LYS  55           HN       LYS  55  -4.973  -1.240   1.550
  379    HA   LYS  55           HA       LYS  55  -6.986  -1.416   3.663
  380   1HB   LYS  55           HB1      LYS  55  -4.050  -1.657   4.207
  381   2HB   LYS  55           HB2      LYS  55  -5.048  -0.753   5.345
  382   1HG   LYS  55           HG1      LYS  55  -6.611  -2.772   5.356
  383   2HG   LYS  55           HG2      LYS  55  -5.341  -3.643   4.494
  384   1HD   LYS  55           HD1      LYS  55  -3.927  -2.509   6.552
  385   2HD   LYS  55           HD2      LYS  55  -5.480  -2.824   7.328
  386   1HE   LYS  55           HE1      LYS  55  -5.009  -5.135   5.853
  387   2HE   LYS  55           HE2      LYS  55  -3.412  -4.708   6.468
  388   1HZ   LYS  55           HZ3      LYS  55  -5.665  -4.547   8.321
  389   2HZ   LYS  55           HZ1      LYS  55  -5.122  -6.095   7.890
  390   3HZ   LYS  55           HZ2      LYS  55  -4.050  -4.989   8.610
  391    H    CYS  56           HN       CYS  56  -6.616   0.714   5.102
  392    HA   CYS  56           HA       CYS  56  -6.356   2.908   3.112
  393   1HB   CYS  56           HB1      CYS  56  -7.290   3.482   5.879
  394   2HB   CYS  56           HB2      CYS  56  -7.910   4.074   4.339
  395    H    CYS  57           HN       CYS  57  -4.851   4.535   3.362
  396    HA   CYS  57           HA       CYS  57  -3.287   4.767   5.839
  397   1HB   CYS  57           HB1      CYS  57  -2.207   2.877   4.636
  398   2HB   CYS  57           HB2      CYS  57  -1.957   3.929   3.246
  399    H    SER  58           HN       SER  58  -2.088   6.710   5.897
  400    HA   SER  58           HA       SER  58  -2.362   8.455   3.520
  401   1HB   SER  58           HB1      SER  58  -3.780   8.778   5.947
  402   2HB   SER  58           HB2      SER  58  -2.548  10.037   5.909
  403    HG   SER  58           HG       SER  58  -3.341  10.213   3.576
  404    H    ALA  59           HN       ALA  59  -0.466   7.259   6.032
  405    HA   ALA  59           HA       ALA  59   1.879   8.661   5.014
  406   1HB   ALA  59           HB2      ALA  59   0.727   9.348   7.725
  407   2HB   ALA  59           HB1      ALA  59   2.424   9.618   7.327
  408   3HB   ALA  59           HB3      ALA  59   1.163  10.452   6.420
  409    H    ASP  60           HN       ASP  60   2.310   8.012   8.286
  410    HA   ASP  60           HA       ASP  60   3.471   5.359   7.648
  411   1HB   ASP  60           HB1      ASP  60   4.850   7.149   8.839
  412   2HB   ASP  60           HB2      ASP  60   3.759   6.956  10.212
  413    H    LYS  61           HN       LYS  61   0.647   5.844   7.835
  414    HA   LYS  61           HA       LYS  61  -0.071   4.417  10.331
  415   1HB   LYS  61           HB1      LYS  61  -1.317   6.445  10.179
  416   2HB   LYS  61           HB2      LYS  61  -1.651   6.188   8.466
  417   1HG   LYS  61           HG1      LYS  61  -3.258   4.549   8.894
  418   2HG   LYS  61           HG2      LYS  61  -2.583   4.157  10.474
  419   1HD   LYS  61           HD1      LYS  61  -3.772   5.796  11.516
  420   2HD   LYS  61           HD2      LYS  61  -3.512   6.945  10.203
  421   1HE   LYS  61           HE1      LYS  61  -5.389   6.245   9.043
  422   2HE   LYS  61           HE2      LYS  61  -5.306   4.607   9.689
  423   1HZ   LYS  61           HZ1      LYS  61  -6.056   7.009  11.266
  424   2HZ   LYS  61           HZ2      LYS  61  -7.163   5.904  10.601
  425   3HZ   LYS  61           HZ3      LYS  61  -6.075   5.400  11.805
  426    H    CYS  62           HN       CYS  62   0.703   3.761   7.241
  427    HA   CYS  62           HA       CYS  62  -1.337   2.217   6.121
  428   1HB   CYS  62           HB1      CYS  62   1.631   1.599   6.153
  429   2HB   CYS  62           HB2      CYS  62   0.461   0.899   5.038
  430    H    ASN  63           HN       ASN  63   1.057   1.204   8.568
  431    HA   ASN  63           HA       ASN  63  -0.747  -1.072   9.199
  432   1HB   ASN  63           HB1      ASN  63   1.221  -2.456   9.628
  433   2HB   ASN  63           HB2      ASN  63   1.276  -1.847   7.978
  434   1HD2  ASN  63          HD22      ASN  63   4.517  -1.240  10.002
  435   2HD2  ASN  63          HD21      ASN  63   3.500  -2.600   9.995
  436    H    THR  64           HN       THR  64  -0.598   1.566  10.443
  437    HA   THR  64           HA       THR  64   0.014   0.669  13.207
  438    HB   THR  64           HB       THR  64   0.848   3.387  12.990
  439    HG1  THR  64           HG1      THR  64   2.263   1.615  11.295
  440   1HG2  THR  64          HG22      THR  64   1.468   1.591  14.641
  441   2HG2  THR  64          HG21      THR  64   2.471   0.867  13.384
  442   3HG2  THR  64          HG23      THR  64   2.844   2.481  13.991
  443    H    TYR  65           HN       TYR  65  -1.572   1.372  14.606
  444    HA   TYR  65           HA       TYR  65  -3.957   2.431  13.782
  445   1HB   TYR  65           HB1      TYR  65  -3.298   1.504  16.107
  446   2HB   TYR  65           HB2      TYR  65  -2.888   3.174  16.490
  447    HD1  TYR  65           HD2      TYR  65  -5.652   1.065  15.112
  448    HD2  TYR  65           HD1      TYR  65  -4.557   4.694  17.137
  449    HE1  TYR  65           HE2      TYR  65  -8.049   1.571  15.500
  450    HE2  TYR  65           HE1      TYR  65  -6.956   5.202  17.523
  451    HH   TYR  65           HH       TYR  65  -9.508   2.958  16.429
  452    HA   PRO  66           HA       PRO  66  -2.427   6.866  14.656
  453   1HB   PRO  66           HB1      PRO  66   0.275   7.212  15.057
  454   2HB   PRO  66           HB2      PRO  66  -0.887   6.935  16.365
  455   1HG   PRO  66           HG1      PRO  66   1.120   5.068  15.179
  456   2HG   PRO  66           HG2      PRO  66   0.414   5.066  16.802
  457   1HD   PRO  66           HD1      PRO  66  -0.318   3.386  14.630
  458   2HD   PRO  66           HD2      PRO  66  -1.193   3.563  16.161
   
  No H/Q in entry =         458
  Start of MODEL    6
    1   1H    ARG   1           HT1      ARG   1   1.542  14.258  -0.883
    2   2H    ARG   1           HT2      ARG   1   2.240  14.308  -2.431
    3   3H    ARG   1           HT3      ARG   1   1.097  13.110  -2.051
    4    HA   ARG   1           HA       ARG   1   3.074  11.957  -1.900
    5   1HB   ARG   1           HB1      ARG   1   4.104  14.599  -1.429
    6   2HB   ARG   1           HB2      ARG   1   4.724  13.500  -0.196
    7   1HG   ARG   1           HG1      ARG   1   5.894  12.240  -1.723
    8   2HG   ARG   1           HG2      ARG   1   4.703  12.495  -3.000
    9   1HD   ARG   1           HD1      ARG   1   6.816  13.670  -3.510
   10   2HD   ARG   1           HD2      ARG   1   5.497  14.817  -3.272
   11    HE   ARG   1           HE       ARG   1   7.304  14.196  -0.986
   12   1HH1  ARG   1          HH11      ARG   1   6.276  16.231   0.181
   13   2HH1  ARG   1          HH12      ARG   1   6.750  17.707  -0.592
   14   1HH2  ARG   1          HH21      ARG   1   7.794  16.152  -3.511
   15   2HH2  ARG   1          HH22      ARG   1   7.610  17.662  -2.682
   16    H    GLU   2           HN       GLU   2   1.671  10.692  -0.534
   17    HA   GLU   2           HA       GLU   2   2.259  11.072   2.363
   18   1HB   GLU   2           HB1      GLU   2  -0.359  11.065   1.024
   19   2HB   GLU   2           HB2      GLU   2  -0.252   9.925   2.366
   20   1HG   GLU   2           HG1      GLU   2   0.392  11.668   3.894
   21   2HG   GLU   2           HG2      GLU   2   0.610  12.823   2.577
   22    H    CYS   3           HN       CYS   3   3.724   9.378   0.820
   23    HA   CYS   3           HA       CYS   3   3.037   6.768   1.984
   24   1HB   CYS   3           HB1      CYS   3   3.653   6.867  -0.961
   25   2HB   CYS   3           HB2      CYS   3   2.950   5.543  -0.035
   26    H    TYR   4           HN       TYR   4   5.186   8.640  -0.080
   27    HA   TYR   4           HA       TYR   4   7.518   8.463  -0.425
   28   1HB   TYR   4           HB1      TYR   4   8.567   8.244   2.077
   29   2HB   TYR   4           HB2      TYR   4   7.966   9.752   1.389
   30    HD1  TYR   4           HD1      TYR   4   5.360  10.174   1.675
   31    HD2  TYR   4           HD2      TYR   4   7.655   7.469   4.101
   32    HE1  TYR   4           HE1      TYR   4   3.621  10.282   3.442
   33    HE2  TYR   4           HE2      TYR   4   5.916   7.576   5.867
   34    HH   TYR   4           HH       TYR   4   3.973   9.639   6.407
   35    H    LEU   5           HN       LEU   5   7.787   6.514   2.484
   36    HA   LEU   5           HA       LEU   5   8.101   4.097   0.943
   37   1HB   LEU   5           HB1      LEU   5  10.302   4.815   2.779
   38   2HB   LEU   5           HB2      LEU   5  10.300   3.659   1.458
   39    HG   LEU   5           HG       LEU   5   9.868   5.765  -0.033
   40   1HD1  LEU   5          HD13      LEU   5   9.915   6.992   2.452
   41   2HD1  LEU   5          HD12      LEU   5  11.527   7.315   1.813
   42   3HD1  LEU   5          HD11      LEU   5  10.100   7.809   0.901
   43   1HD2  LEU   5          HD23      LEU   5  12.365   4.689   1.162
   44   2HD2  LEU   5          HD21      LEU   5  11.903   4.829  -0.533
   45   3HD2  LEU   5          HD22      LEU   5  12.516   6.238   0.333
   46    H    ASN   6           HN       ASN   6   6.159   3.616   2.248
   47    HA   ASN   6           HA       ASN   6   6.577   3.407   5.130
   48   1HB   ASN   6           HB1      ASN   6   4.216   1.973   4.208
   49   2HB   ASN   6           HB2      ASN   6   4.347   3.337   5.295
   50   1HD2  ASN   6          HD22      ASN   6   3.451   4.049   1.357
   51   2HD2  ASN   6          HD21      ASN   6   3.858   2.486   1.841
   52    HA   PRO   7           HA       PRO   7   6.857  -1.243   4.488
   53   1HB   PRO   7           HB1      PRO   7   5.999  -2.412   2.162
   54   2HB   PRO   7           HB2      PRO   7   4.913  -2.049   3.513
   55   1HG   PRO   7           HG1      PRO   7   5.191  -0.677   0.879
   56   2HG   PRO   7           HG2      PRO   7   3.793  -0.749   1.959
   57   1HD   PRO   7           HD1      PRO   7   5.632   1.421   1.672
   58   2HD   PRO   7           HD2      PRO   7   4.350   1.236   2.875
   59    H    HIS   8           HN       HIS   8   6.950  -1.147   0.987
   60    HA   HIS   8           HA       HIS   8   9.813  -0.582   0.799
   61   1HB   HIS   8           HB1      HIS   8   9.182  -3.152  -0.510
   62   2HB   HIS   8           HB2      HIS   8  10.601  -2.696   0.430
   63    HD1  HIS   8           HD1      HIS   8   6.942  -3.557   1.066
   64    HD2  HIS   8           HD2      HIS   8  10.646  -3.908   2.932
   65    HE1  HIS   8           HE1      HIS   8   6.530  -4.851   3.207
   66    H    ASP   9           HN       ASP   9  10.237   0.227  -1.281
   67    HA   ASP   9           HA       ASP   9   9.837   0.728  -3.570
   68   1HB   ASP   9           HB1      ASP   9   8.254  -1.556  -3.217
   69   2HB   ASP   9           HB2      ASP   9   7.138  -0.334  -3.828
   70    H    THR  10           HN       THR  10   6.550   0.639  -2.147
   71    HA   THR  10           HA       THR  10   5.076   2.375  -1.618
   72    HB   THR  10           HB       THR  10   6.805   4.667  -1.863
   73    HG1  THR  10           HG1      THR  10   7.811   2.379  -0.544
   74   1HG2  THR  10          HG21      THR  10   5.505   3.160   0.413
   75   2HG2  THR  10          HG23      THR  10   6.400   4.655   0.649
   76   3HG2  THR  10          HG22      THR  10   4.953   4.651  -0.349
   77    H    GLN  11           HN       GLN  11   4.625   4.816  -2.473
   78    HA   GLN  11           HA       GLN  11   5.196   5.526  -5.137
   79   1HB   GLN  11           HB1      GLN  11   4.065   3.601  -5.963
   80   2HB   GLN  11           HB2      GLN  11   2.780   3.746  -4.765
   81   1HG   GLN  11           HG1      GLN  11   1.682   5.387  -5.951
   82   2HG   GLN  11           HG2      GLN  11   3.175   6.058  -6.606
   83   1HE2  GLN  11          HE22      GLN  11   3.015   4.140  -9.567
   84   2HE2  GLN  11          HE21      GLN  11   3.828   5.340  -8.685
   85    H    THR  12           HN       THR  12   5.228   7.386  -3.618
   86    HA   THR  12           HA       THR  12   3.274   8.497  -2.102
   87    HB   THR  12           HB       THR  12   4.129  10.720  -2.776
   88    HG1  THR  12           HG1      THR  12   5.296  10.943  -4.555
   89   1HG2  THR  12          HG21      THR  12   5.761   8.417  -1.988
   90   2HG2  THR  12          HG23      THR  12   6.705   9.722  -2.706
   91   3HG2  THR  12          HG22      THR  12   5.695  10.038  -1.294
   92    H    CYS  13           HN       CYS  13   1.800  10.380  -2.603
   93    HA   CYS  13           HA       CYS  13   0.379  10.003  -5.207
   94   1HB   CYS  13           HB1      CYS  13  -0.904   8.935  -3.395
   95   2HB   CYS  13           HB2      CYS  13  -0.849  10.429  -2.466
   96    HA   PRO  14           HA       PRO  14   1.241  14.514  -4.230
   97   1HB   PRO  14           HB1      PRO  14   3.209  14.938  -6.102
   98   2HB   PRO  14           HB2      PRO  14   3.540  14.457  -4.428
   99   1HG   PRO  14           HG1      PRO  14   3.665  12.830  -6.937
  100   2HG   PRO  14           HG2      PRO  14   4.565  12.626  -5.424
  101   1HD   PRO  14           HD1      PRO  14   2.293  11.127  -6.248
  102   2HD   PRO  14           HD2      PRO  14   3.012  11.151  -4.625
  103    H    SER  15           HN       SER  15  -0.960  13.738  -5.629
  104    HA   SER  15           HA       SER  15  -0.763  15.325  -8.143
  105   1HB   SER  15           HB1      SER  15  -2.606  13.038  -8.299
  106   2HB   SER  15           HB2      SER  15  -1.442  13.623  -9.484
  107    HG   SER  15           HG       SER  15   0.210  12.682  -8.152
  108    H    GLY  16           HN       GLY  16  -3.417  15.015  -8.959
  109   1HA   GLY  16           HA1      GLY  16  -4.827  16.975  -7.618
  110   2HA   GLY  16           HA2      GLY  16  -5.635  15.649  -8.454
  111    H    GLN  17           HN       GLN  17  -5.708  13.542  -7.116
  112    HA   GLN  17           HA       GLN  17  -6.944  14.127  -4.570
  113   1HB   GLN  17           HB1      GLN  17  -6.331  11.681  -6.161
  114   2HB   GLN  17           HB2      GLN  17  -6.574  11.464  -4.428
  115   1HG   GLN  17           HG1      GLN  17  -8.788  11.435  -4.921
  116   2HG   GLN  17           HG2      GLN  17  -8.629  13.180  -5.121
  117   1HE2  GLN  17          HE22      GLN  17  -8.393  10.935  -8.571
  118   2HE2  GLN  17          HE21      GLN  17  -7.653  10.353  -7.158
  119    H    GLU  18           HN       GLU  18  -6.129  12.851  -2.537
  120    HA   GLU  18           HA       GLU  18  -3.157  12.794  -2.454
  121   1HB   GLU  18           HB1      GLU  18  -3.036  14.225  -0.538
  122   2HB   GLU  18           HB2      GLU  18  -4.046  15.062  -1.717
  123   1HG   GLU  18           HG1      GLU  18  -6.032  13.894  -0.520
  124   2HG   GLU  18           HG2      GLU  18  -4.885  13.605   0.788
  125    H    ILE  19           HN       ILE  19  -5.048  10.590  -2.412
  126    HA   ILE  19           HA       ILE  19  -4.944   9.754   0.448
  127    HB   ILE  19           HB       ILE  19  -6.245   8.240  -1.797
  128   1HG1  ILE  19          HG11      ILE  19  -6.916  10.866  -1.161
  129   2HG1  ILE  19          HG12      ILE  19  -7.965   9.709  -1.960
  130   1HG2  ILE  19          HG21      ILE  19  -6.518   8.332   1.205
  131   2HG2  ILE  19          HG22      ILE  19  -7.751   7.590   0.183
  132   3HG2  ILE  19          HG23      ILE  19  -6.103   6.955   0.185
  133   1HD1  ILE  19          HD13      ILE  19  -7.793  10.025   1.048
  134   2HD1  ILE  19          HD11      ILE  19  -9.005  10.821   0.044
  135   3HD1  ILE  19          HD12      ILE  19  -8.964   9.061   0.149
  136    H    CYS  20           HN       CYS  20  -4.126   7.646   0.906
  137    HA   CYS  20           HA       CYS  20  -2.213   6.609  -1.146
  138   1HB   CYS  20           HB1      CYS  20  -1.122   7.934   0.759
  139   2HB   CYS  20           HB2      CYS  20  -1.649   6.638   1.830
  140    H    TYR  21           HN       TYR  21  -2.731   4.515  -1.614
  141    HA   TYR  21           HA       TYR  21  -4.370   3.049   0.384
  142   1HB   TYR  21           HB1      TYR  21  -5.032   1.606  -1.369
  143   2HB   TYR  21           HB2      TYR  21  -4.987   3.199  -2.122
  144    HD1  TYR  21           HD1      TYR  21  -2.947   3.865  -3.472
  145    HD2  TYR  21           HD2      TYR  21  -3.610  -0.139  -2.068
  146    HE1  TYR  21           HE1      TYR  21  -1.281   3.016  -5.106
  147    HE2  TYR  21           HE2      TYR  21  -1.956  -0.986  -3.700
  148    HH   TYR  21           HH       TYR  21  -1.037   0.325  -6.247
  149    H    VAL  22           HN       VAL  22  -3.710   0.801   0.925
  150    HA   VAL  22           HA       VAL  22  -0.759   0.476   0.606
  151    HB   VAL  22           HB       VAL  22  -0.545  -0.220   2.884
  152   1HG1  VAL  22          HG12      VAL  22  -2.383   2.178   2.615
  153   2HG1  VAL  22          HG11      VAL  22  -1.591   1.735   4.127
  154   3HG1  VAL  22          HG13      VAL  22  -0.622   2.186   2.724
  155   1HG2  VAL  22          HG23      VAL  22  -3.479  -0.586   2.633
  156   2HG2  VAL  22          HG22      VAL  22  -2.294  -1.547   3.521
  157   3HG2  VAL  22          HG21      VAL  22  -2.895  -0.036   4.205
  158    H    LYS  23           HN       LYS  23  -0.435  -1.273  -0.653
  159    HA   LYS  23           HA       LYS  23  -2.236  -3.631  -0.289
  160   1HB   LYS  23           HB1      LYS  23  -1.321  -4.339  -2.548
  161   2HB   LYS  23           HB2      LYS  23  -2.303  -2.877  -2.579
  162   1HG   LYS  23           HG1      LYS  23  -0.420  -1.480  -2.848
  163   2HG   LYS  23           HG2      LYS  23   0.693  -2.713  -2.269
  164   1HD   LYS  23           HD1      LYS  23   0.934  -2.570  -4.676
  165   2HD   LYS  23           HD2      LYS  23   0.102  -4.080  -4.312
  166   1HE   LYS  23           HE1      LYS  23  -2.067  -2.624  -4.595
  167   2HE   LYS  23           HE2      LYS  23  -0.997  -1.558  -5.504
  168   1HZ   LYS  23           HZ2      LYS  23  -0.520  -4.209  -6.287
  169   2HZ   LYS  23           HZ3      LYS  23  -2.194  -3.922  -6.363
  170   3HZ   LYS  23           HZ1      LYS  23  -1.123  -2.923  -7.220
  171    H    SER  24           HN       SER  24  -1.321  -5.408   0.668
  172    HA   SER  24           HA       SER  24   1.651  -5.649   0.579
  173   1HB   SER  24           HB1      SER  24  -0.152  -5.612   2.986
  174   2HB   SER  24           HB2      SER  24   1.374  -6.492   3.032
  175    HG   SER  24           HG       SER  24   1.166  -4.033   3.538
  176    H    TRP  25           HN       TRP  25   2.061  -7.557  -0.392
  177    HA   TRP  25           HA       TRP  25   0.678 -10.008   0.581
  178   1HB   TRP  25           HB1      TRP  25   0.245 -10.768  -1.704
  179   2HB   TRP  25           HB2      TRP  25  -0.531  -9.199  -1.459
  180    HD1  TRP  25           HD1      TRP  25   2.028 -10.905  -3.580
  181    HE1  TRP  25           HE1      TRP  25   3.112  -9.172  -5.163
  182    HE3  TRP  25           HE3      TRP  25   0.295  -6.694  -1.437
  183    HZ2  TRP  25           HZ2      TRP  25   3.226  -6.292  -5.426
  184    HZ3  TRP  25           HZ3      TRP  25   0.894  -4.505  -2.290
  185    HH2  TRP  25           HH2      TRP  25   2.355  -4.251  -4.293
  186    H    CYS  26           HN       CYS  26   1.929 -11.967   0.067
  187    HA   CYS  26           HA       CYS  26   4.646 -11.484  -1.033
  188   1HB   CYS  26           HB1      CYS  26   5.800 -12.240   0.829
  189   2HB   CYS  26           HB2      CYS  26   4.454 -11.427   1.612
  190    H    ASN  27           HN       ASN  27   5.683 -14.019  -0.659
  191    HA   ASN  27           HA       ASN  27   3.798 -15.657  -2.300
  192   1HB   ASN  27           HB1      ASN  27   6.480 -14.977  -2.718
  193   2HB   ASN  27           HB2      ASN  27   6.537 -16.647  -2.155
  194   1HD2  ASN  27          HD22      ASN  27   5.186 -15.837  -5.879
  195   2HD2  ASN  27          HD21      ASN  27   5.814 -14.627  -4.867
  196    H    ALA  28           HN       ALA  28   4.654 -18.178  -1.947
  197    HA   ALA  28           HA       ALA  28   3.846 -18.759   0.782
  198   1HB   ALA  28           HB1      ALA  28   3.915 -20.167  -1.678
  199   2HB   ALA  28           HB2      ALA  28   4.904 -21.074  -0.534
  200   3HB   ALA  28           HB3      ALA  28   3.222 -20.708  -0.148
  201    H    TRP  29           HN       TRP  29   6.698 -17.755  -0.382
  202    HA   TRP  29           HA       TRP  29   8.194 -19.135   1.780
  203   1HB   TRP  29           HB1      TRP  29   9.165 -18.720  -1.038
  204   2HB   TRP  29           HB2      TRP  29  10.103 -19.374   0.279
  205    HD1  TRP  29           HD1      TRP  29   6.620 -20.192  -1.286
  206    HE1  TRP  29           HE1      TRP  29   6.455 -22.770  -1.427
  207    HE3  TRP  29           HE3      TRP  29  11.081 -21.411   0.727
  208    HZ2  TRP  29           HZ2      TRP  29   8.059 -25.070  -0.750
  209    HZ3  TRP  29           HZ3      TRP  29  11.785 -23.794   0.990
  210    HH2  TRP  29           HH2      TRP  29  10.270 -25.621   0.250
  211    H    CYS  30           HN       CYS  30   6.996 -16.365   1.299
  212    HA   CYS  30           HA       CYS  30   9.147 -14.530   0.832
  213   1HB   CYS  30           HB1      CYS  30   7.643 -12.893   2.075
  214   2HB   CYS  30           HB2      CYS  30   6.960 -13.652   0.638
  215    H    SER  31           HN       SER  31   8.923 -16.689   3.357
  216    HA   SER  31           HA       SER  31   9.355 -15.397   5.745
  217   1HB   SER  31           HB1      SER  31   9.923 -17.942   4.759
  218   2HB   SER  31           HB2      SER  31  11.493 -17.336   5.278
  219    HG   SER  31           HG       SER  31   9.164 -17.737   6.782
  220    H    SER  32           HN       SER  32  10.271 -13.348   5.544
  221    HA   SER  32           HA       SER  32  11.925 -11.735   5.146
  222   1HB   SER  32           HB1      SER  32  14.010 -13.777   5.734
  223   2HB   SER  32           HB2      SER  32  13.869 -12.122   6.316
  224    HG   SER  32           HG       SER  32  12.667 -14.446   7.267
  225    H    ARG  33           HN       ARG  33  11.328 -12.070   2.875
  226    HA   ARG  33           HA       ARG  33  13.743 -12.880   1.320
  227   1HB   ARG  33           HB1      ARG  33  10.866 -13.553   0.640
  228   2HB   ARG  33           HB2      ARG  33  12.238 -13.819  -0.435
  229   1HG   ARG  33           HG1      ARG  33  12.979 -14.932   2.050
  230   2HG   ARG  33           HG2      ARG  33  11.315 -15.446   1.772
  231   1HD   ARG  33           HD1      ARG  33  11.998 -16.176  -0.535
  232   2HD   ARG  33           HD2      ARG  33  13.669 -15.802  -0.108
  233    HE   ARG  33           HE       ARG  33  12.075 -17.828   1.411
  234   1HH1  ARG  33          HH11      ARG  33  14.634 -17.394   2.633
  235   2HH1  ARG  33          HH12      ARG  33  15.703 -18.474   1.801
  236   1HH2  ARG  33          HH21      ARG  33  13.569 -18.933  -0.894
  237   2HH2  ARG  33          HH22      ARG  33  15.100 -19.345  -0.195
  238    H    GLY  34           HN       GLY  34  11.544 -12.166  -0.974
  239   1HA   GLY  34           HA1      GLY  34  12.150  -9.240  -0.824
  240   2HA   GLY  34           HA2      GLY  34  12.129 -10.145  -2.339
  241    H    LYS  35           HN       LYS  35   9.886  -9.950   0.447
  242    HA   LYS  35           HA       LYS  35   7.498 -10.349  -0.925
  243   1HB   LYS  35           HB1      LYS  35   7.836  -8.315   1.294
  244   2HB   LYS  35           HB2      LYS  35   6.380  -9.227   0.893
  245   1HG   LYS  35           HG1      LYS  35   7.100 -10.678   2.489
  246   2HG   LYS  35           HG2      LYS  35   8.232 -11.232   1.255
  247   1HD   LYS  35           HD1      LYS  35   9.912 -10.587   2.614
  248   2HD   LYS  35           HD2      LYS  35   9.395  -8.919   2.368
  249   1HE   LYS  35           HE1      LYS  35   8.360  -8.807   4.405
  250   2HE   LYS  35           HE2      LYS  35   7.809 -10.481   4.329
  251   1HZ   LYS  35           HZ1      LYS  35  10.675  -9.901   4.635
  252   2HZ   LYS  35           HZ2      LYS  35   9.655  -9.814   5.991
  253   3HZ   LYS  35           HZ3      LYS  35   9.799 -11.269   5.123
  254    H    VAL  36           HN       VAL  36   6.001  -8.982  -1.980
  255    HA   VAL  36           HA       VAL  36   7.179  -6.449  -3.037
  256    HB   VAL  36           HB       VAL  36   4.688  -7.343  -4.283
  257   1HG1  VAL  36          HG11      VAL  36   7.251  -6.165  -4.958
  258   2HG1  VAL  36          HG13      VAL  36   6.821  -7.436  -6.101
  259   3HG1  VAL  36          HG12      VAL  36   5.723  -6.083  -5.834
  260   1HG2  VAL  36          HG23      VAL  36   6.993  -9.266  -4.025
  261   2HG2  VAL  36          HG22      VAL  36   5.263  -9.592  -3.914
  262   3HG2  VAL  36          HG21      VAL  36   6.000  -9.263  -5.483
  263    H    LEU  37           HN       LEU  37   6.566  -5.452  -0.930
  264    HA   LEU  37           HA       LEU  37   3.647  -4.977  -0.615
  265   1HB   LEU  37           HB1      LEU  37   6.021  -5.126   1.171
  266   2HB   LEU  37           HB2      LEU  37   4.676  -4.112   1.675
  267    HG   LEU  37           HG       LEU  37   3.215  -5.931   1.787
  268   1HD1  LEU  37          HD11      LEU  37   3.744  -6.838  -0.472
  269   2HD1  LEU  37          HD12      LEU  37   5.205  -7.569   0.191
  270   3HD1  LEU  37          HD13      LEU  37   3.620  -8.110   0.742
  271   1HD2  LEU  37          HD23      LEU  37   5.045  -6.031   3.497
  272   2HD2  LEU  37          HD22      LEU  37   4.303  -7.595   3.156
  273   3HD2  LEU  37          HD21      LEU  37   5.872  -7.194   2.460
  274    H    GLU  38           HN       GLU  38   3.021  -3.022  -1.518
  275    HA   GLU  38           HA       GLU  38   4.659  -0.622  -0.862
  276   1HB   GLU  38           HB1      GLU  38   4.173   0.089  -3.342
  277   2HB   GLU  38           HB2      GLU  38   5.545  -0.964  -2.991
  278   1HG   GLU  38           HG1      GLU  38   3.096  -2.496  -3.341
  279   2HG   GLU  38           HG2      GLU  38   3.435  -1.501  -4.759
  280    H    PHE  39           HN       PHE  39   3.488   1.229  -0.644
  281    HA   PHE  39           HA       PHE  39   0.547   1.013  -0.972
  282   1HB   PHE  39           HB1      PHE  39   2.050   2.969   0.787
  283   2HB   PHE  39           HB2      PHE  39   0.324   2.619   0.818
  284    HD1  PHE  39           HD2      PHE  39   0.966  -0.482   0.302
  285    HD2  PHE  39           HD1      PHE  39   2.188   2.418   3.233
  286    HE1  PHE  39           HE2      PHE  39   1.362  -2.303   1.936
  287    HE2  PHE  39           HE1      PHE  39   2.586   0.592   4.867
  288    HZ   PHE  39           HZ       PHE  39   2.174  -1.771   4.218
  289    H    GLY  40           HN       GLY  40  -0.369   2.489  -2.454
  290   1HA   GLY  40           HA1      GLY  40   1.570   4.480  -3.564
  291   2HA   GLY  40           HA2      GLY  40   0.400   3.627  -4.563
  292    H    CYS  41           HN       CYS  41  -0.622   5.456  -5.329
  293    HA   CYS  41           HA       CYS  41  -1.811   7.332  -3.381
  294   1HB   CYS  41           HB1      CYS  41  -0.603   8.424  -5.127
  295   2HB   CYS  41           HB2      CYS  41  -1.332   7.422  -6.368
  296    H    ALA  42           HN       ALA  42  -4.024   7.983  -3.799
  297    HA   ALA  42           HA       ALA  42  -5.798   6.410  -5.440
  298   1HB   ALA  42           HB1      ALA  42  -5.068   5.264  -2.935
  299   2HB   ALA  42           HB3      ALA  42  -6.743   5.798  -2.809
  300   3HB   ALA  42           HB2      ALA  42  -6.269   4.680  -4.088
  301    H    ALA  43           HN       ALA  43  -8.146   6.732  -4.486
  302    HA   ALA  43           HA       ALA  43  -8.393   9.603  -3.752
  303   1HB   ALA  43           HB3      ALA  43  -9.970   7.789  -5.538
  304   2HB   ALA  43           HB2      ALA  43 -10.796   9.132  -4.748
  305   3HB   ALA  43           HB1      ALA  43  -9.433   9.444  -5.825
  306    H    THR  44           HN       THR  44  -9.813   6.367  -3.231
  307    HA   THR  44           HA       THR  44 -10.575   7.233  -0.504
  308    HB   THR  44           HB       THR  44 -12.851   6.537  -0.708
  309    HG1  THR  44           HG1      THR  44 -12.242   5.686  -3.340
  310   1HG2  THR  44          HG23      THR  44 -12.239   8.754  -1.754
  311   2HG2  THR  44          HG22      THR  44 -12.225   7.938  -3.318
  312   3HG2  THR  44          HG21      THR  44 -13.719   8.032  -2.385
  313    H    CYS  45           HN       CYS  45 -10.843   5.424   0.940
  314    HA   CYS  45           HA       CYS  45  -9.072   3.423   0.909
  315   1HB   CYS  45           HB1      CYS  45 -10.708   3.981   2.730
  316   2HB   CYS  45           HB2      CYS  45 -11.902   3.023   1.860
  317    HA   PRO  46           HA       PRO  46 -10.551   0.900  -2.502
  318   1HB   PRO  46           HB1      PRO  46  -8.286  -0.673  -2.634
  319   2HB   PRO  46           HB2      PRO  46  -8.425   0.932  -3.371
  320   1HG   PRO  46           HG1      PRO  46  -6.856   0.095  -1.015
  321   2HG   PRO  46           HG2      PRO  46  -6.725   1.568  -1.978
  322   1HD   PRO  46           HD1      PRO  46  -8.013   1.211   0.594
  323   2HD   PRO  46           HD2      PRO  46  -7.813   2.711  -0.336
  324    H    SER  47           HN       SER  47 -11.836  -0.902  -2.338
  325    HA   SER  47           HA       SER  47 -11.369  -2.731  -0.024
  326   1HB   SER  47           HB1      SER  47 -13.906  -2.792  -1.602
  327   2HB   SER  47           HB2      SER  47 -13.656  -3.041   0.123
  328    HG   SER  47           HG       SER  47 -13.567  -0.586  -1.280
  329    H    VAL  48           HN       VAL  48  -9.835  -2.986  -2.448
  330    HA   VAL  48           HA       VAL  48 -11.024  -5.412  -3.694
  331    HB   VAL  48           HB       VAL  48  -8.908  -3.505  -4.592
  332   1HG1  VAL  48          HG12      VAL  48  -9.556  -6.270  -5.589
  333   2HG1  VAL  48          HG11      VAL  48  -8.860  -5.053  -6.659
  334   3HG1  VAL  48          HG13      VAL  48  -7.972  -5.582  -5.229
  335   1HG2  VAL  48          HG23      VAL  48 -11.720  -3.980  -5.157
  336   2HG2  VAL  48          HG22      VAL  48 -10.716  -2.599  -5.595
  337   3HG2  VAL  48          HG21      VAL  48 -10.744  -4.030  -6.625
  338    H    ASN  49           HN       ASN  49 -10.036  -7.391  -3.383
  339    HA   ASN  49           HA       ASN  49  -7.421  -7.386  -2.014
  340   1HB   ASN  49           HB1      ASN  49  -9.470  -7.950  -0.566
  341   2HB   ASN  49           HB2      ASN  49  -9.559  -9.442  -1.501
  342   1HD2  ASN  49          HD22      ASN  49  -6.989 -10.973   0.351
  343   2HD2  ASN  49          HD21      ASN  49  -8.297 -11.145  -0.718
  344    H    THR  50           HN       THR  50  -7.298  -7.586  -4.681
  345    HA   THR  50           HA       THR  50  -7.674 -10.262  -5.711
  346    HB   THR  50           HB       THR  50  -5.572  -8.713  -7.026
  347    HG1  THR  50           HG1      THR  50  -6.512  -6.892  -6.375
  348   1HG2  THR  50          HG21      THR  50  -7.218 -10.583  -7.849
  349   2HG2  THR  50          HG23      THR  50  -8.329  -9.235  -8.093
  350   3HG2  THR  50          HG22      THR  50  -6.782  -9.270  -8.942
  351    H    GLY  51           HN       GLY  51  -6.634 -11.565  -4.041
  352   1HA   GLY  51           HA1      GLY  51  -4.807 -12.669  -3.053
  353   2HA   GLY  51           HA2      GLY  51  -4.012 -12.407  -4.607
  354    H    THR  52           HN       THR  52  -5.112  -9.618  -2.890
  355    HA   THR  52           HA       THR  52  -2.406  -9.135  -1.747
  356    HB   THR  52           HB       THR  52  -3.912  -7.345  -3.673
  357    HG1  THR  52           HG1      THR  52  -1.408  -8.642  -3.612
  358   1HG2  THR  52          HG22      THR  52  -2.321  -6.599  -1.404
  359   2HG2  THR  52          HG21      THR  52  -1.441  -6.187  -2.876
  360   3HG2  THR  52          HG23      THR  52  -3.066  -5.554  -2.613
  361    H    GLU  53           HN       GLU  53  -2.491  -7.977   0.197
  362    HA   GLU  53           HA       GLU  53  -5.182  -7.543   1.308
  363   1HB   GLU  53           HB1      GLU  53  -2.571  -6.896   2.679
  364   2HB   GLU  53           HB2      GLU  53  -4.115  -7.331   3.414
  365   1HG   GLU  53           HG1      GLU  53  -3.289  -9.418   1.606
  366   2HG   GLU  53           HG2      GLU  53  -1.977  -9.065   2.731
  367    H    ILE  54           HN       ILE  54  -6.077  -5.658   0.443
  368    HA   ILE  54           HA       ILE  54  -4.345  -3.257   0.295
  369    HB   ILE  54           HB       ILE  54  -6.481  -4.211  -1.288
  370   1HG1  ILE  54          HG11      ILE  54  -5.136  -1.505  -1.305
  371   2HG1  ILE  54          HG12      ILE  54  -4.452  -2.974  -2.000
  372   1HG2  ILE  54          HG23      ILE  54  -7.887  -2.909   0.483
  373   2HG2  ILE  54          HG22      ILE  54  -7.250  -1.484  -0.334
  374   3HG2  ILE  54          HG21      ILE  54  -8.202  -2.651  -1.228
  375   1HD1  ILE  54          HD12      ILE  54  -7.167  -2.590  -2.929
  376   2HD1  ILE  54          HD13      ILE  54  -6.197  -1.156  -3.263
  377   3HD1  ILE  54          HD11      ILE  54  -5.684  -2.730  -3.872
  378    H    LYS  55           HN       LYS  55  -5.694  -1.184   0.919
  379    HA   LYS  55           HA       LYS  55  -7.570  -1.211   3.030
  380   1HB   LYS  55           HB1      LYS  55  -4.726  -1.591   3.817
  381   2HB   LYS  55           HB2      LYS  55  -5.653  -0.419   4.757
  382   1HG   LYS  55           HG1      LYS  55  -7.400  -2.553   4.468
  383   2HG   LYS  55           HG2      LYS  55  -5.836  -3.334   4.706
  384   1HD   LYS  55           HD1      LYS  55  -6.220  -2.980   6.923
  385   2HD   LYS  55           HD2      LYS  55  -5.771  -1.310   6.579
  386   1HE   LYS  55           HE1      LYS  55  -8.429  -1.411   5.804
  387   2HE   LYS  55           HE2      LYS  55  -8.396  -2.444   7.234
  388   1HZ   LYS  55           HZ3      LYS  55  -7.089   0.205   7.218
  389   2HZ   LYS  55           HZ1      LYS  55  -8.739   0.041   7.576
  390   3HZ   LYS  55           HZ2      LYS  55  -7.579  -0.728   8.550
  391    H    CYS  56           HN       CYS  56  -7.178   0.979   4.404
  392    HA   CYS  56           HA       CYS  56  -6.586   3.065   2.352
  393   1HB   CYS  56           HB1      CYS  56  -7.819   4.220   4.658
  394   2HB   CYS  56           HB2      CYS  56  -8.488   4.066   3.039
  395    H    CYS  57           HN       CYS  57  -5.199   4.810   2.929
  396    HA   CYS  57           HA       CYS  57  -4.020   4.955   5.590
  397   1HB   CYS  57           HB1      CYS  57  -2.844   2.987   4.698
  398   2HB   CYS  57           HB2      CYS  57  -2.356   3.911   3.280
  399    H    SER  58           HN       SER  58  -2.990   6.945   5.865
  400    HA   SER  58           HA       SER  58  -2.584   8.545   3.396
  401   1HB   SER  58           HB1      SER  58  -3.878  10.279   4.122
  402   2HB   SER  58           HB2      SER  58  -4.652   9.029   5.091
  403    HG   SER  58           HG       SER  58  -2.638  10.844   5.862
  404    H    ALA  59           HN       ALA  59  -1.310   7.385   6.256
  405    HA   ALA  59           HA       ALA  59   1.206   8.764   5.805
  406   1HB   ALA  59           HB3      ALA  59  -0.409   9.476   8.271
  407   2HB   ALA  59           HB2      ALA  59   1.277   9.922   8.005
  408   3HB   ALA  59           HB1      ALA  59   0.016  10.571   6.955
  409    H    ASP  60           HN       ASP  60   0.765   8.206   9.115
  410    HA   ASP  60           HA       ASP  60   2.116   5.580   8.871
  411   1HB   ASP  60           HB1      ASP  60   3.131   7.312  10.366
  412   2HB   ASP  60           HB2      ASP  60   1.650   7.311  11.326
  413    H    LYS  61           HN       LYS  61  -0.662   5.950   8.246
  414    HA   LYS  61           HA       LYS  61  -1.998   4.521  10.473
  415   1HB   LYS  61           HB1      LYS  61  -3.238   6.485   9.906
  416   2HB   LYS  61           HB2      LYS  61  -3.070   6.167   8.178
  417   1HG   LYS  61           HG1      LYS  61  -4.619   4.396   8.234
  418   2HG   LYS  61           HG2      LYS  61  -4.446   4.176   9.975
  419   1HD   LYS  61           HD1      LYS  61  -5.666   6.187  10.435
  420   2HD   LYS  61           HD2      LYS  61  -5.594   6.694   8.747
  421   1HE   LYS  61           HE1      LYS  61  -7.317   5.320   8.132
  422   2HE   LYS  61           HE2      LYS  61  -6.820   4.039   9.239
  423   1HZ   LYS  61           HZ3      LYS  61  -7.556   5.915  10.965
  424   2HZ   LYS  61           HZ1      LYS  61  -8.603   6.289   9.683
  425   3HZ   LYS  61           HZ2      LYS  61  -8.621   4.734  10.367
  426    H    CYS  62           HN       CYS  62  -0.403   3.940   7.657
  427    HA   CYS  62           HA       CYS  62  -1.981   2.201   6.132
  428   1HB   CYS  62           HB1      CYS  62   0.959   2.097   6.842
  429   2HB   CYS  62           HB2      CYS  62   0.225   0.988   5.686
  430    H    ASN  63           HN       ASN  63  -0.599   1.727   9.305
  431    HA   ASN  63           HA       ASN  63  -1.375  -1.137   9.270
  432   1HB   ASN  63           HB1      ASN  63  -0.197  -1.158  11.514
  433   2HB   ASN  63           HB2      ASN  63   0.837  -0.761  10.139
  434   1HD2  ASN  63          HD22      ASN  63   1.836   2.021  12.126
  435   2HD2  ASN  63          HD21      ASN  63   2.299   0.505  11.518
  436    H    THR  64           HN       THR  64  -2.383   1.947  10.489
  437    HA   THR  64           HA       THR  64  -4.217   2.567  11.804
  438    HB   THR  64           HB       THR  64  -5.776   0.232  11.923
  439    HG1  THR  64           HG1      THR  64  -5.227  -0.870  10.239
  440   1HG2  THR  64          HG22      THR  64  -5.670   2.811  10.449
  441   2HG2  THR  64          HG21      THR  64  -6.791   1.588   9.849
  442   3HG2  THR  64          HG23      THR  64  -6.926   2.170  11.509
  443    H    TYR  65           HN       TYR  65  -2.826   2.612  13.701
  444    HA   TYR  65           HA       TYR  65  -2.008   1.835  15.783
  445   1HB   TYR  65           HB1      TYR  65  -4.034   2.757  16.513
  446   2HB   TYR  65           HB2      TYR  65  -4.991   1.525  15.700
  447    HD1  TYR  65           HD2      TYR  65  -2.043   1.247  18.000
  448    HD2  TYR  65           HD1      TYR  65  -6.201   0.370  17.355
  449    HE1  TYR  65           HE2      TYR  65  -2.087  -0.083  20.094
  450    HE2  TYR  65           HE1      TYR  65  -6.244  -0.961  19.449
  451    HH   TYR  65           HH       TYR  65  -3.324  -1.295  21.475
  452    HA   PRO  66           HA       PRO  66  -1.840  -2.629  14.659
  453   1HB   PRO  66           HB1      PRO  66   0.911  -2.731  14.607
  454   2HB   PRO  66           HB2      PRO  66  -0.087  -2.334  13.198
  455   1HG   PRO  66           HG1      PRO  66   1.561  -0.536  14.932
  456   2HG   PRO  66           HG2      PRO  66   1.112  -0.345  13.229
  457   1HD   PRO  66           HD1      PRO  66  -0.087   0.969  15.440
  458   2HD   PRO  66           HD2      PRO  66  -0.735   0.904  13.788
   
  No H/Q in entry =         458
  Start of MODEL    7
    1   1H    ARG   1           HT1      ARG   1   2.551  15.771  -0.805
    2   2H    ARG   1           HT2      ARG   1   2.808  15.800  -2.484
    3   3H    ARG   1           HT3      ARG   1   1.505  14.922  -1.835
    4    HA   ARG   1           HA       ARG   1   3.245  13.411  -2.460
    5   1HB   ARG   1           HB1      ARG   1   4.886  15.520  -1.550
    6   2HB   ARG   1           HB2      ARG   1   5.190  14.161  -0.466
    7   1HG   ARG   1           HG1      ARG   1   6.159  12.914  -2.110
    8   2HG   ARG   1           HG2      ARG   1   4.997  13.445  -3.327
    9   1HD   ARG   1           HD1      ARG   1   6.235  15.741  -3.139
   10   2HD   ARG   1           HD2      ARG   1   7.533  14.793  -2.413
   11    HE   ARG   1           HE       ARG   1   6.487  14.344  -5.179
   12   1HH1  ARG   1          HH21      ARG   1   8.421  12.884  -2.899
   13   2HH1  ARG   1          HH22      ARG   1   9.854  12.832  -3.870
   14   1HH2  ARG   1          HH11      ARG   1   8.546  14.838  -6.378
   15   2HH2  ARG   1          HH12      ARG   1   9.925  13.939  -5.840
   16    H    GLU   2           HN       GLU   2   2.033  11.843  -1.465
   17    HA   GLU   2           HA       GLU   2   2.250  11.646   1.510
   18   1HB   GLU   2           HB1      GLU   2  -0.079  12.169   0.468
   19   2HB   GLU   2           HB2      GLU   2  -0.044  10.492  -0.078
   20   1HG   GLU   2           HG1      GLU   2  -1.156  10.496   2.051
   21   2HG   GLU   2           HG2      GLU   2   0.460   9.847   2.333
   22    H    CYS   3           HN       CYS   3   2.282   9.383   2.289
   23    HA   CYS   3           HA       CYS   3   2.740   7.068   2.080
   24   1HB   CYS   3           HB1      CYS   3   3.248   7.447  -0.869
   25   2HB   CYS   3           HB2      CYS   3   2.769   5.976  -0.020
   26    H    TYR   4           HN       TYR   4   4.610   9.149  -0.067
   27    HA   TYR   4           HA       TYR   4   6.914   9.240  -0.471
   28   1HB   TYR   4           HB1      TYR   4   8.103   9.318   1.953
   29   2HB   TYR   4           HB2      TYR   4   7.215  10.683   1.277
   30    HD1  TYR   4           HD1      TYR   4   4.615  10.712   1.754
   31    HD2  TYR   4           HD2      TYR   4   7.455   8.437   4.041
   32    HE1  TYR   4           HE1      TYR   4   3.005  10.593   3.637
   33    HE2  TYR   4           HE2      TYR   4   5.843   8.316   5.922
   34    HH   TYR   4           HH       TYR   4   3.754   9.933   6.659
   35    H    LEU   5           HN       LEU   5   7.801   7.540   2.440
   36    HA   LEU   5           HA       LEU   5   8.252   5.210   0.790
   37   1HB   LEU   5           HB1      LEU   5  10.494   6.191   2.426
   38   2HB   LEU   5           HB2      LEU   5  10.499   5.029   1.112
   39    HG   LEU   5           HG       LEU   5   9.590   7.814   0.548
   40   1HD1  LEU   5          HD11      LEU   5  12.474   6.930   0.810
   41   2HD1  LEU   5          HD13      LEU   5  11.958   8.426   0.030
   42   3HD1  LEU   5          HD12      LEU   5  11.670   8.185   1.754
   43   1HD2  LEU   5          HD22      LEU   5  10.315   5.416  -0.897
   44   2HD2  LEU   5          HD23      LEU   5   9.536   6.878  -1.500
   45   3HD2  LEU   5          HD21      LEU   5  11.296   6.780  -1.435
   46    H    ASN   6           HN       ASN   6   6.357   5.039   2.761
   47    HA   ASN   6           HA       ASN   6   7.182   4.266   5.340
   48   1HB   ASN   6           HB1      ASN   6   5.259   2.426   4.913
   49   2HB   ASN   6           HB2      ASN   6   4.863   4.125   5.148
   50   1HD2  ASN   6          HD22      ASN   6   4.638   2.528   1.359
   51   2HD2  ASN   6          HD21      ASN   6   5.639   1.786   2.512
   52    HA   PRO   7           HA       PRO   7   9.562   0.638   4.665
   53   1HB   PRO   7           HB1      PRO   7   8.539  -1.203   6.454
   54   2HB   PRO   7           HB2      PRO   7   9.602   0.141   6.901
   55   1HG   PRO   7           HG1      PRO   7   6.634  -0.140   7.243
   56   2HG   PRO   7           HG2      PRO   7   7.798   0.738   8.249
   57   1HD   PRO   7           HD1      PRO   7   6.074   1.911   6.376
   58   2HD   PRO   7           HD2      PRO   7   7.544   2.675   7.012
   59    H    HIS   8           HN       HIS   8   8.553   0.412   2.474
   60    HA   HIS   8           HA       HIS   8   7.961  -2.133   1.665
   61   1HB   HIS   8           HB1      HIS   8   5.695  -1.014   3.117
   62   2HB   HIS   8           HB2      HIS   8   5.252  -1.493   1.478
   63    HD1  HIS   8           HD1      HIS   8   3.887  -3.447   2.800
   64    HD2  HIS   8           HD2      HIS   8   8.045  -3.719   2.890
   65    HE1  HIS   8           HE1      HIS   8   4.434  -5.821   3.494
   66    H    ASP   9           HN       ASP   9   9.170  -0.729   0.032
   67    HA   ASP   9           HA       ASP   9   9.238   0.295  -2.080
   68   1HB   ASP   9           HB1      ASP   9   6.644  -1.110  -1.948
   69   2HB   ASP   9           HB2      ASP   9   6.746   0.158  -3.172
   70    H    THR  10           HN       THR  10   5.839   1.115  -1.553
   71    HA   THR  10           HA       THR  10   4.830   3.156  -0.976
   72    HB   THR  10           HB       THR  10   7.288   4.815  -1.018
   73    HG1  THR  10           HG1      THR  10   6.929   3.066   1.160
   74   1HG2  THR  10          HG21      THR  10   5.059   4.329   0.961
   75   2HG2  THR  10          HG23      THR  10   6.331   5.527   1.136
   76   3HG2  THR  10          HG22      THR  10   5.184   5.664  -0.184
   77    H    GLN  11           HN       GLN  11   4.817   5.495  -1.978
   78    HA   GLN  11           HA       GLN  11   5.997   6.007  -4.496
   79   1HB   GLN  11           HB1      GLN  11   4.758   4.220  -5.464
   80   2HB   GLN  11           HB2      GLN  11   3.314   4.616  -4.530
   81   1HG   GLN  11           HG1      GLN  11   2.625   6.109  -6.082
   82   2HG   GLN  11           HG2      GLN  11   4.214   6.868  -6.154
   83   1HE2  GLN  11          HE22      GLN  11   3.141   4.741  -9.278
   84   2HE2  GLN  11          HE21      GLN  11   2.104   5.557  -8.210
   85    H    THR  12           HN       THR  12   6.092   8.110  -3.628
   86    HA   THR  12           HA       THR  12   4.273   9.577  -2.236
   87    HB   THR  12           HB       THR  12   5.296  11.535  -3.039
   88    HG1  THR  12           HG1      THR  12   6.570  11.171  -5.135
   89   1HG2  THR  12          HG23      THR  12   6.821   9.322  -2.372
   90   2HG2  THR  12          HG22      THR  12   7.592   9.917  -3.842
   91   3HG2  THR  12          HG21      THR  12   7.404  10.985  -2.452
   92    H    CYS  13           HN       CYS  13   2.827  11.350  -2.979
   93    HA   CYS  13           HA       CYS  13   1.422  10.874  -5.536
   94   1HB   CYS  13           HB1      CYS  13   0.200   9.441  -4.024
   95   2HB   CYS  13           HB2      CYS  13   0.166  10.694  -2.787
   96    HA   PRO  14           HA       PRO  14   1.853  15.295  -4.200
   97   1HB   PRO  14           HB1      PRO  14   3.175  16.101  -6.482
   98   2HB   PRO  14           HB2      PRO  14   3.990  15.523  -5.019
   99   1HG   PRO  14           HG1      PRO  14   3.549  14.128  -7.631
  100   2HG   PRO  14           HG2      PRO  14   4.851  13.907  -6.449
  101   1HD   PRO  14           HD1      PRO  14   2.595  12.224  -6.783
  102   2HD   PRO  14           HD2      PRO  14   3.703  12.214  -5.394
  103    H    SER  15           HN       SER  15   1.507  14.439  -7.676
  104    HA   SER  15           HA       SER  15  -0.840  16.273  -7.789
  105   1HB   SER  15           HB1      SER  15   0.880  15.067  -9.977
  106   2HB   SER  15           HB2      SER  15  -0.529  16.080 -10.273
  107    HG   SER  15           HG       SER  15   0.731  17.710 -10.004
  108    H    GLY  16           HN       GLY  16  -2.871  15.459  -8.183
  109   1HA   GLY  16           HA1      GLY  16  -4.118  13.633  -9.480
  110   2HA   GLY  16           HA2      GLY  16  -3.058  12.507  -8.632
  111    H    GLN  17           HN       GLN  17  -4.104  11.547  -6.960
  112    HA   GLN  17           HA       GLN  17  -6.419  12.894  -5.719
  113   1HB   GLN  17           HB1      GLN  17  -5.224  10.158  -5.176
  114   2HB   GLN  17           HB2      GLN  17  -6.774  10.752  -4.577
  115   1HG   GLN  17           HG1      GLN  17  -7.392   9.516  -6.478
  116   2HG   GLN  17           HG2      GLN  17  -7.309  11.163  -7.101
  117   1HE2  GLN  17          HE22      GLN  17  -4.247   8.576  -8.067
  118   2HE2  GLN  17          HE21      GLN  17  -5.068   8.366  -6.597
  119    H    GLU  18           HN       GLU  18  -6.188  11.802  -3.106
  120    HA   GLU  18           HA       GLU  18  -3.660  12.968  -2.055
  121   1HB   GLU  18           HB1      GLU  18  -6.402  13.684  -0.978
  122   2HB   GLU  18           HB2      GLU  18  -4.852  14.315  -0.422
  123   1HG   GLU  18           HG1      GLU  18  -4.485  15.212  -2.758
  124   2HG   GLU  18           HG2      GLU  18  -6.148  14.752  -3.128
  125    H    ILE  19           HN       ILE  19  -5.524  10.325  -2.193
  126    HA   ILE  19           HA       ILE  19  -5.251   9.632   0.695
  127    HB   ILE  19           HB       ILE  19  -6.600   7.991  -1.437
  128   1HG1  ILE  19          HG11      ILE  19  -7.346  10.592  -0.753
  129   2HG1  ILE  19          HG12      ILE  19  -8.381   9.390  -1.508
  130   1HG2  ILE  19          HG21      ILE  19  -6.723   8.120   1.582
  131   2HG2  ILE  19          HG22      ILE  19  -7.918   7.250   0.618
  132   3HG2  ILE  19          HG23      ILE  19  -6.223   6.763   0.572
  133   1HD1  ILE  19          HD11      ILE  19  -8.068   9.651   1.494
  134   2HD1  ILE  19          HD12      ILE  19  -9.337  10.466   0.580
  135   3HD1  ILE  19          HD13      ILE  19  -9.273   8.704   0.622
  136    H    CYS  20           HN       CYS  20  -4.394   7.523   1.190
  137    HA   CYS  20           HA       CYS  20  -2.441   6.532  -0.850
  138   1HB   CYS  20           HB1      CYS  20  -1.486   7.879   1.155
  139   2HB   CYS  20           HB2      CYS  20  -1.905   6.466   2.121
  140    H    TYR  21           HN       TYR  21  -3.020   4.464  -1.386
  141    HA   TYR  21           HA       TYR  21  -4.493   2.900   0.675
  142   1HB   TYR  21           HB1      TYR  21  -5.355   1.554  -1.057
  143   2HB   TYR  21           HB2      TYR  21  -5.308   3.152  -1.793
  144    HD1  TYR  21           HD2      TYR  21  -3.208   0.061  -1.391
  145    HD2  TYR  21           HD1      TYR  21  -4.210   3.450  -3.824
  146    HE1  TYR  21           HE2      TYR  21  -1.730  -0.793  -3.187
  147    HE2  TYR  21           HE1      TYR  21  -2.732   2.597  -5.625
  148    HH   TYR  21           HH       TYR  21  -0.736  -0.296  -5.140
  149    H    VAL  22           HN       VAL  22  -3.753   0.697   1.131
  150    HA   VAL  22           HA       VAL  22  -0.853   0.385   0.487
  151    HB   VAL  22           HB       VAL  22  -0.432  -0.453   2.686
  152   1HG1  VAL  22          HG13      VAL  22  -0.734   2.049   2.435
  153   2HG1  VAL  22          HG12      VAL  22  -2.378   1.846   3.040
  154   3HG1  VAL  22          HG11      VAL  22  -1.004   1.447   4.070
  155   1HG2  VAL  22          HG21      VAL  22  -3.438  -0.547   2.877
  156   2HG2  VAL  22          HG23      VAL  22  -2.281  -1.854   3.130
  157   3HG2  VAL  22          HG22      VAL  22  -2.423  -0.560   4.319
  158    H    LYS  23           HN       LYS  23  -0.759  -1.235  -0.985
  159    HA   LYS  23           HA       LYS  23  -2.628  -3.538  -0.699
  160   1HB   LYS  23           HB1      LYS  23  -0.942  -2.457  -2.950
  161   2HB   LYS  23           HB2      LYS  23  -1.478  -4.136  -2.981
  162   1HG   LYS  23           HG1      LYS  23  -3.771  -3.516  -2.990
  163   2HG   LYS  23           HG2      LYS  23  -3.407  -1.860  -2.502
  164   1HD   LYS  23           HD1      LYS  23  -3.752  -1.570  -4.783
  165   2HD   LYS  23           HD2      LYS  23  -2.010  -1.850  -4.753
  166   1HE   LYS  23           HE1      LYS  23  -3.476  -4.358  -4.843
  167   2HE   LYS  23           HE2      LYS  23  -3.919  -3.318  -6.195
  168   1HZ   LYS  23           HZ3      LYS  23  -1.302  -2.985  -6.212
  169   2HZ   LYS  23           HZ1      LYS  23  -1.358  -4.550  -5.559
  170   3HZ   LYS  23           HZ2      LYS  23  -2.069  -4.236  -7.069
  171    H    SER  24           HN       SER  24  -1.844  -5.533  -0.057
  172    HA   SER  24           HA       SER  24   1.120  -5.813   0.035
  173   1HB   SER  24           HB1      SER  24  -0.884  -6.199   2.238
  174   2HB   SER  24           HB2      SER  24   0.593  -7.158   2.229
  175    HG   SER  24           HG       SER  24   0.356  -4.344   2.273
  176    H    TRP  25           HN       TRP  25   1.496  -7.415  -1.436
  177    HA   TRP  25           HA       TRP  25   0.005  -9.973  -1.032
  178   1HB   TRP  25           HB1      TRP  25  -0.228 -10.255  -3.455
  179   2HB   TRP  25           HB2      TRP  25  -1.005  -8.755  -2.947
  180    HD1  TRP  25           HD1      TRP  25   1.660 -10.048  -5.217
  181    HE1  TRP  25           HE1      TRP  25   2.850  -8.049  -6.347
  182    HE3  TRP  25           HE3      TRP  25  -0.170  -6.303  -2.368
  183    HZ2  TRP  25           HZ2      TRP  25   2.994  -5.178  -6.026
  184    HZ3  TRP  25           HZ3      TRP  25   0.486  -3.992  -2.741
  185    HH2  TRP  25           HH2      TRP  25   2.066  -3.383  -4.570
  186    H    CYS  26           HN       CYS  26   1.439 -11.609  -0.793
  187    HA   CYS  26           HA       CYS  26   4.249 -11.172  -1.666
  188   1HB   CYS  26           HB1      CYS  26   2.985 -12.472   0.582
  189   2HB   CYS  26           HB2      CYS  26   4.012 -13.621  -0.276
  190    H    ASN  27           HN       ASN  27   5.092 -13.772  -1.956
  191    HA   ASN  27           HA       ASN  27   3.519 -14.683  -4.334
  192   1HB   ASN  27           HB1      ASN  27   6.342 -14.164  -3.925
  193   2HB   ASN  27           HB2      ASN  27   6.082 -15.835  -4.428
  194   1HD2  ASN  27          HD22      ASN  27   4.275 -14.598  -7.460
  195   2HD2  ASN  27          HD21      ASN  27   3.870 -15.584  -6.138
  196    H    ALA  28           HN       ALA  28   3.744 -15.403  -1.243
  197    HA   ALA  28           HA       ALA  28   3.100 -17.353  -0.108
  198   1HB   ALA  28           HB1      ALA  28   2.035 -18.039  -2.313
  199   2HB   ALA  28           HB3      ALA  28   3.529 -18.902  -2.660
  200   3HB   ALA  28           HB2      ALA  28   2.551 -19.362  -1.270
  201    H    TRP  29           HN       TRP  29   5.969 -16.728  -1.610
  202    HA   TRP  29           HA       TRP  29   7.374 -18.609   0.199
  203   1HB   TRP  29           HB1      TRP  29   7.798 -18.376  -2.764
  204   2HB   TRP  29           HB2      TRP  29   8.983 -19.067  -1.687
  205    HD1  TRP  29           HD1      TRP  29   5.172 -19.557  -2.333
  206    HE1  TRP  29           HE1      TRP  29   4.700 -22.094  -2.170
  207    HE3  TRP  29           HE3      TRP  29   9.808 -21.168  -1.213
  208    HZ2  TRP  29           HZ2      TRP  29   6.161 -24.520  -1.618
  209    HZ3  TRP  29           HZ3      TRP  29  10.297 -23.594  -0.861
  210    HH2  TRP  29           HH2      TRP  29   8.470 -25.267  -1.064
  211    H    CYS  30           HN       CYS  30   6.885 -15.597  -0.055
  212    HA   CYS  30           HA       CYS  30   9.474 -14.441  -0.707
  213   1HB   CYS  30           HB1      CYS  30   8.481 -12.376   0.303
  214   2HB   CYS  30           HB2      CYS  30   7.530 -13.074  -1.006
  215    H    SER  31           HN       SER  31   9.695 -16.489   1.352
  216    HA   SER  31           HA       SER  31   9.776 -15.606   3.992
  217   1HB   SER  31           HB1      SER  31  10.355 -17.889   3.472
  218   2HB   SER  31           HB2      SER  31  11.734 -17.373   2.505
  219    HG   SER  31           HG       SER  31  11.435 -16.852   5.272
  220    H    SER  32           HN       SER  32  10.315 -13.382   4.071
  221    HA   SER  32           HA       SER  32  11.696 -11.475   3.921
  222   1HB   SER  32           HB1      SER  32  13.976 -13.136   4.841
  223   2HB   SER  32           HB2      SER  32  13.373 -11.606   5.468
  224    HG   SER  32           HG       SER  32  12.543 -14.202   6.025
  225    H    ARG  33           HN       ARG  33  11.712 -11.497   1.614
  226    HA   ARG  33           HA       ARG  33  14.459 -11.850   0.550
  227   1HB   ARG  33           HB1      ARG  33  13.308 -13.909  -0.097
  228   2HB   ARG  33           HB2      ARG  33  11.971 -12.977  -0.770
  229   1HG   ARG  33           HG1      ARG  33  13.808 -11.842  -2.229
  230   2HG   ARG  33           HG2      ARG  33  14.799 -13.232  -1.784
  231   1HD   ARG  33           HD1      ARG  33  12.030 -13.798  -2.725
  232   2HD   ARG  33           HD2      ARG  33  13.183 -13.244  -3.939
  233    HE   ARG  33           HE       ARG  33  14.112 -15.447  -2.216
  234   1HH1  ARG  33          HH21      ARG  33  12.277 -14.606  -4.991
  235   2HH1  ARG  33          HH22      ARG  33  12.834 -15.945  -5.938
  236   1HH2  ARG  33          HH11      ARG  33  15.022 -17.095  -3.508
  237   2HH2  ARG  33          HH12      ARG  33  14.388 -17.355  -5.098
  238    H    GLY  34           HN       GLY  34  11.494 -11.257  -1.284
  239   1HA   GLY  34           HA1      GLY  34  12.021  -8.353  -1.342
  240   2HA   GLY  34           HA2      GLY  34  12.203  -9.203  -2.879
  241    H    LYS  35           HN       LYS  35   9.852  -9.386  -0.183
  242    HA   LYS  35           HA       LYS  35   7.603 -10.150  -1.620
  243   1HB   LYS  35           HB1      LYS  35   7.461  -8.002   0.502
  244   2HB   LYS  35           HB2      LYS  35   6.272  -9.251   0.139
  245   1HG   LYS  35           HG1      LYS  35   7.253 -10.586   1.663
  246   2HG   LYS  35           HG2      LYS  35   8.730 -10.571   0.699
  247   1HD   LYS  35           HD1      LYS  35   9.630  -8.747   1.902
  248   2HD   LYS  35           HD2      LYS  35   8.056  -8.285   2.549
  249   1HE   LYS  35           HE1      LYS  35   9.665 -10.751   3.275
  250   2HE   LYS  35           HE2      LYS  35   9.332  -9.365   4.314
  251   1HZ   LYS  35           HZ2      LYS  35   6.875  -9.980   3.735
  252   2HZ   LYS  35           HZ3      LYS  35   7.541 -11.518   3.452
  253   3HZ   LYS  35           HZ1      LYS  35   7.702 -10.792   4.977
  254    H    VAL  36           HN       VAL  36   5.735  -8.808  -2.374
  255    HA   VAL  36           HA       VAL  36   6.697  -6.274  -3.649
  256    HB   VAL  36           HB       VAL  36   4.256  -7.501  -4.756
  257   1HG1  VAL  36          HG11      VAL  36   5.557  -5.577  -5.716
  258   2HG1  VAL  36          HG13      VAL  36   6.877  -6.698  -6.051
  259   3HG1  VAL  36          HG12      VAL  36   5.318  -6.905  -6.851
  260   1HG2  VAL  36          HG21      VAL  36   6.924  -8.924  -5.030
  261   2HG2  VAL  36          HG23      VAL  36   5.494  -9.564  -4.219
  262   3HG2  VAL  36          HG22      VAL  36   5.473  -9.292  -5.962
  263    H    LEU  37           HN       LEU  37   5.932  -5.876  -1.159
  264    HA   LEU  37           HA       LEU  37   3.027  -5.262  -1.176
  265   1HB   LEU  37           HB1      LEU  37   5.093  -5.684   0.982
  266   2HB   LEU  37           HB2      LEU  37   3.544  -4.936   1.330
  267    HG   LEU  37           HG       LEU  37   2.343  -6.898   0.765
  268   1HD1  LEU  37          HD13      LEU  37   4.887  -7.793  -0.609
  269   2HD1  LEU  37          HD12      LEU  37   3.516  -8.865  -0.326
  270   3HD1  LEU  37          HD11      LEU  37   3.331  -7.450  -1.360
  271   1HD2  LEU  37          HD23      LEU  37   4.805  -7.274   2.347
  272   2HD2  LEU  37          HD22      LEU  37   3.125  -7.591   2.781
  273   3HD2  LEU  37          HD21      LEU  37   4.019  -8.758   1.806
  274    H    GLU  38           HN       GLU  38   3.026  -3.246  -2.264
  275    HA   GLU  38           HA       GLU  38   4.538  -1.076  -0.868
  276   1HB   GLU  38           HB1      GLU  38   4.883   0.038  -2.966
  277   2HB   GLU  38           HB2      GLU  38   5.372  -1.642  -3.195
  278   1HG   GLU  38           HG1      GLU  38   2.725  -1.793  -3.830
  279   2HG   GLU  38           HG2      GLU  38   3.097  -0.156  -4.370
  280    H    PHE  39           HN       PHE  39   3.502   1.097  -1.173
  281    HA   PHE  39           HA       PHE  39   0.549   0.874  -1.369
  282   1HB   PHE  39           HB1      PHE  39   1.937   2.800   0.488
  283   2HB   PHE  39           HB2      PHE  39   0.268   2.231   0.547
  284    HD1  PHE  39           HD2      PHE  39   0.615  -0.685   0.169
  285    HD2  PHE  39           HD1      PHE  39   2.891   2.089   2.536
  286    HE1  PHE  39           HE2      PHE  39   1.307  -2.535   1.669
  287    HE2  PHE  39           HE1      PHE  39   3.584   0.236   4.035
  288    HZ   PHE  39           HZ       PHE  39   2.792  -2.078   3.601
  289    H    GLY  40           HN       GLY  40  -0.494   2.715  -2.348
  290   1HA   GLY  40           HA1      GLY  40   1.378   4.755  -3.470
  291   2HA   GLY  40           HA2      GLY  40   0.231   3.935  -4.524
  292    H    CYS  41           HN       CYS  41  -0.908   5.840  -5.056
  293    HA   CYS  41           HA       CYS  41  -2.159   7.365  -2.849
  294   1HB   CYS  41           HB1      CYS  41  -0.959   8.364  -4.943
  295   2HB   CYS  41           HB2      CYS  41  -2.447   7.981  -5.777
  296    H    ALA  42           HN       ALA  42  -4.462   8.088  -3.579
  297    HA   ALA  42           HA       ALA  42  -6.124   6.445  -5.179
  298   1HB   ALA  42           HB3      ALA  42  -5.276   5.092  -2.874
  299   2HB   ALA  42           HB2      ALA  42  -6.921   5.616  -2.515
  300   3HB   ALA  42           HB1      ALA  42  -6.601   4.627  -3.939
  301    H    ALA  43           HN       ALA  43  -8.494   6.506  -4.125
  302    HA   ALA  43           HA       ALA  43  -8.910   9.328  -3.285
  303   1HB   ALA  43           HB3      ALA  43 -10.775   7.441  -4.748
  304   2HB   ALA  43           HB2      ALA  43 -11.149   9.108  -4.310
  305   3HB   ALA  43           HB1      ALA  43  -9.872   8.768  -5.478
  306    H    THR  44           HN       THR  44 -10.088   5.990  -2.772
  307    HA   THR  44           HA       THR  44 -10.732   6.735   0.014
  308    HB   THR  44           HB       THR  44 -13.004   6.217  -0.069
  309    HG1  THR  44           HG1      THR  44 -13.361   4.394  -1.039
  310   1HG2  THR  44          HG23      THR  44 -12.482   8.255  -1.422
  311   2HG2  THR  44          HG22      THR  44 -12.479   7.246  -2.868
  312   3HG2  THR  44          HG21      THR  44 -13.962   7.443  -1.935
  313    H    CYS  45           HN       CYS  45 -10.412   5.031   1.397
  314    HA   CYS  45           HA       CYS  45  -8.830   2.923   0.958
  315   1HB   CYS  45           HB1      CYS  45  -9.870   3.659   3.130
  316   2HB   CYS  45           HB2      CYS  45 -11.290   2.721   2.681
  317    HA   PRO  46           HA       PRO  46 -11.449   0.548  -1.869
  318   1HB   PRO  46           HB1      PRO  46  -9.397  -0.996  -2.862
  319   2HB   PRO  46           HB2      PRO  46  -9.783   0.629  -3.452
  320   1HG   PRO  46           HG1      PRO  46  -7.511  -0.276  -1.753
  321   2HG   PRO  46           HG2      PRO  46  -7.631   1.151  -2.791
  322   1HD   PRO  46           HD1      PRO  46  -7.909   1.050   0.051
  323   2HD   PRO  46           HD2      PRO  46  -8.205   2.450  -1.002
  324    H    SER  47           HN       SER  47 -10.949  -2.137  -2.364
  325    HA   SER  47           HA       SER  47 -11.029  -3.341   0.376
  326   1HB   SER  47           HB1      SER  47 -12.324  -4.872  -1.770
  327   2HB   SER  47           HB2      SER  47 -12.926  -4.461  -0.167
  328    HG   SER  47           HG       SER  47 -13.002  -2.918  -2.519
  329    H    VAL  48           HN       VAL  48 -11.161  -6.036  -0.842
  330    HA   VAL  48           HA       VAL  48  -8.287  -6.262  -1.579
  331    HB   VAL  48           HB       VAL  48 -10.182  -8.238  -0.374
  332   1HG1  VAL  48          HG11      VAL  48  -8.050  -8.821  -2.046
  333   2HG1  VAL  48          HG13      VAL  48  -7.354  -8.955  -0.432
  334   3HG1  VAL  48          HG12      VAL  48  -8.760  -9.925  -0.869
  335   1HG2  VAL  48          HG21      VAL  48  -8.312  -6.296   0.677
  336   2HG2  VAL  48          HG23      VAL  48  -9.466  -7.306   1.550
  337   3HG2  VAL  48          HG22      VAL  48  -7.860  -7.928   1.172
  338    H    ASN  49           HN       ASN  49  -8.490  -5.959  -3.848
  339    HA   ASN  49           HA       ASN  49 -10.444  -7.121  -5.500
  340   1HB   ASN  49           HB1      ASN  49  -8.932  -5.399  -6.331
  341   2HB   ASN  49           HB2      ASN  49  -7.550  -6.475  -6.122
  342   1HD2  ASN  49          HD22      ASN  49 -10.211  -7.798  -8.958
  343   2HD2  ASN  49          HD21      ASN  49 -10.775  -7.366  -7.416
  344    H    THR  50           HN       THR  50  -7.362  -8.347  -6.459
  345    HA   THR  50           HA       THR  50  -8.369 -11.065  -6.481
  346    HB   THR  50           HB       THR  50  -6.707 -10.106  -8.123
  347    HG1  THR  50           HG1      THR  50  -6.986 -12.442  -7.433
  348   1HG2  THR  50          HG23      THR  50  -5.327  -9.478  -5.729
  349   2HG2  THR  50          HG22      THR  50  -4.350 -10.674  -6.581
  350   3HG2  THR  50          HG21      THR  50  -4.806  -9.173  -7.387
  351    H    GLY  51           HN       GLY  51  -5.461 -11.916  -5.549
  352   1HA   GLY  51           HA1      GLY  51  -6.283 -12.333  -2.752
  353   2HA   GLY  51           HA2      GLY  51  -4.886 -13.069  -3.543
  354    H    THR  52           HN       THR  52  -5.729  -9.627  -3.486
  355    HA   THR  52           HA       THR  52  -3.135  -9.099  -2.116
  356    HB   THR  52           HB       THR  52  -4.806  -7.511  -4.077
  357    HG1  THR  52           HG1      THR  52  -2.352  -7.402  -4.731
  358   1HG2  THR  52          HG21      THR  52  -2.894  -6.554  -1.999
  359   2HG2  THR  52          HG23      THR  52  -2.730  -5.857  -3.611
  360   3HG2  THR  52          HG22      THR  52  -4.258  -5.720  -2.743
  361    H    GLU  53           HN       GLU  53  -3.270  -8.309  -0.053
  362    HA   GLU  53           HA       GLU  53  -5.924  -7.597   0.998
  363   1HB   GLU  53           HB1      GLU  53  -4.896  -7.655   3.173
  364   2HB   GLU  53           HB2      GLU  53  -4.267  -9.033   2.271
  365   1HG   GLU  53           HG1      GLU  53  -2.314  -7.501   1.610
  366   2HG   GLU  53           HG2      GLU  53  -2.895  -6.403   2.864
  367    H    ILE  54           HN       ILE  54  -6.598  -5.524   0.687
  368    HA   ILE  54           HA       ILE  54  -4.534  -3.386   0.624
  369    HB   ILE  54           HB       ILE  54  -6.879  -3.890  -0.922
  370   1HG1  ILE  54          HG11      ILE  54  -5.526  -1.271  -1.160
  371   2HG1  ILE  54          HG12      ILE  54  -4.465  -2.678  -1.215
  372   1HG2  ILE  54          HG23      ILE  54  -7.020  -1.281   0.624
  373   2HG2  ILE  54          HG22      ILE  54  -8.048  -1.714  -0.744
  374   3HG2  ILE  54          HG21      ILE  54  -8.156  -2.619   0.769
  375   1HD1  ILE  54          HD11      ILE  54  -6.944  -2.312  -2.925
  376   2HD1  ILE  54          HD12      ILE  54  -5.292  -2.035  -3.476
  377   3HD1  ILE  54          HD13      ILE  54  -5.806  -3.657  -3.014
  378    H    LYS  55           HN       LYS  55  -4.997  -1.397   1.814
  379    HA   LYS  55           HA       LYS  55  -6.984  -1.600   3.984
  380   1HB   LYS  55           HB1      LYS  55  -4.218  -0.800   4.786
  381   2HB   LYS  55           HB2      LYS  55  -5.491  -1.542   5.750
  382   1HG   LYS  55           HG1      LYS  55  -5.162  -3.653   4.408
  383   2HG   LYS  55           HG2      LYS  55  -3.761  -2.889   3.657
  384   1HD   LYS  55           HD1      LYS  55  -3.360  -2.461   6.377
  385   2HD   LYS  55           HD2      LYS  55  -4.026  -4.092   6.311
  386   1HE   LYS  55           HE1      LYS  55  -1.999  -3.524   4.245
  387   2HE   LYS  55           HE2      LYS  55  -1.382  -3.471   5.896
  388   1HZ   LYS  55           HZ2      LYS  55  -3.121  -5.678   5.565
  389   2HZ   LYS  55           HZ3      LYS  55  -1.907  -5.719   4.377
  390   3HZ   LYS  55           HZ1      LYS  55  -1.482  -5.666   6.017
  391    H    CYS  56           HN       CYS  56  -6.692   0.579   5.343
  392    HA   CYS  56           HA       CYS  56  -6.633   2.747   3.307
  393   1HB   CYS  56           HB1      CYS  56  -7.513   3.255   6.118
  394   2HB   CYS  56           HB2      CYS  56  -8.173   3.879   4.609
  395    H    CYS  57           HN       CYS  57  -5.060   4.313   3.389
  396    HA   CYS  57           HA       CYS  57  -3.472   4.657   5.859
  397   1HB   CYS  57           HB1      CYS  57  -2.375   2.798   4.679
  398   2HB   CYS  57           HB2      CYS  57  -2.256   3.783   3.224
  399    H    SER  58           HN       SER  58  -2.363   6.644   5.905
  400    HA   SER  58           HA       SER  58  -2.610   8.349   3.503
  401   1HB   SER  58           HB1      SER  58  -3.182  10.238   5.260
  402   2HB   SER  58           HB2      SER  58  -4.458   9.212   4.611
  403    HG   SER  58           HG       SER  58  -3.463   9.349   7.145
  404    H    ALA  59           HN       ALA  59  -0.753   7.212   6.026
  405    HA   ALA  59           HA       ALA  59   1.496   8.874   5.221
  406   1HB   ALA  59           HB1      ALA  59   0.293   9.249   7.978
  407   2HB   ALA  59           HB3      ALA  59   1.872   9.860   7.487
  408   3HB   ALA  59           HB2      ALA  59   0.409  10.470   6.711
  409    H    ASP  60           HN       ASP  60   1.796   8.073   8.482
  410    HA   ASP  60           HA       ASP  60   3.246   5.588   7.767
  411   1HB   ASP  60           HB1      ASP  60   4.546   7.184   9.088
  412   2HB   ASP  60           HB2      ASP  60   3.254   7.290  10.285
  413    H    LYS  61           HN       LYS  61   0.380   5.793   7.795
  414    HA   LYS  61           HA       LYS  61  -0.345   4.155  10.156
  415   1HB   LYS  61           HB1      LYS  61  -1.794   6.040  10.022
  416   2HB   LYS  61           HB2      LYS  61  -1.970   5.867   8.276
  417   1HG   LYS  61           HG1      LYS  61  -3.279   3.869   8.525
  418   2HG   LYS  61           HG2      LYS  61  -2.900   3.762  10.244
  419   1HD   LYS  61           HD1      LYS  61  -3.985   6.302   9.996
  420   2HD   LYS  61           HD2      LYS  61  -4.960   5.342   8.883
  421   1HE   LYS  61           HE1      LYS  61  -4.361   4.240  11.609
  422   2HE   LYS  61           HE2      LYS  61  -5.606   5.480  11.445
  423   1HZ   LYS  61           HZ2      LYS  61  -6.698   4.115   9.777
  424   2HZ   LYS  61           HZ3      LYS  61  -5.504   2.919   9.944
  425   3HZ   LYS  61           HZ1      LYS  61  -6.541   3.265  11.240
  426    H    CYS  62           HN       CYS  62   0.663   3.779   7.068
  427    HA   CYS  62           HA       CYS  62  -1.161   2.041   5.821
  428   1HB   CYS  62           HB1      CYS  62   1.867   2.060   5.803
  429   2HB   CYS  62           HB2      CYS  62   0.909   1.013   4.759
  430    H    ASN  63           HN       ASN  63   1.534   1.165   8.006
  431    HA   ASN  63           HA       ASN  63   0.235  -1.485   8.376
  432   1HB   ASN  63           HB1      ASN  63   2.488  -2.056   9.447
  433   2HB   ASN  63           HB2      ASN  63   2.509  -1.762   7.709
  434   1HD2  ASN  63          HD22      ASN  63   4.999   0.681   8.174
  435   2HD2  ASN  63          HD21      ASN  63   4.447  -0.665   7.299
  436    H    THR  64           HN       THR  64  -1.365  -0.445   9.843
  437    HA   THR  64           HA       THR  64  -0.591  -0.716  12.604
  438    HB   THR  64           HB       THR  64  -1.464   2.001  12.546
  439    HG1  THR  64           HG1      THR  64   0.714   2.598  11.531
  440   1HG2  THR  64          HG21      THR  64  -0.090   0.612  14.214
  441   2HG2  THR  64          HG23      THR  64   1.290   0.948  13.169
  442   3HG2  THR  64          HG22      THR  64   0.426   2.278  13.943
  443    H    TYR  65           HN       TYR  65  -2.499  -2.023  12.602
  444    HA   TYR  65           HA       TYR  65  -4.988  -1.418  11.624
  445   1HB   TYR  65           HB1      TYR  65  -4.197  -3.529  12.891
  446   2HB   TYR  65           HB2      TYR  65  -4.733  -2.680  14.338
  447    HD1  TYR  65           HD1      TYR  65  -7.111  -1.998  14.596
  448    HD2  TYR  65           HD2      TYR  65  -5.774  -4.396  11.291
  449    HE1  TYR  65           HE1      TYR  65  -9.459  -2.634  14.108
  450    HE2  TYR  65           HE2      TYR  65  -8.121  -5.032  10.801
  451    HH   TYR  65           HH       TYR  65 -10.739  -3.426  11.958
  452    HA   PRO  66           HA       PRO  66  -6.024   1.067  15.568
  453   1HB   PRO  66           HB1      PRO  66  -3.930   1.720  17.229
  454   2HB   PRO  66           HB2      PRO  66  -4.917   0.261  17.416
  455   1HG   PRO  66           HG1      PRO  66  -2.130   0.551  16.383
  456   2HG   PRO  66           HG2      PRO  66  -2.901  -0.849  17.143
  457   1HD   PRO  66           HD1      PRO  66  -2.449  -0.455  14.361
  458   2HD   PRO  66           HD2      PRO  66  -3.439  -1.728  15.095
   
  No H/Q in entry =         458
  Start of MODEL    8
    1   1H    ARG   1           HT2      ARG   1   2.974  16.323  -1.630
    2   2H    ARG   1           HT3      ARG   1   2.810  16.260  -3.320
    3   3H    ARG   1           HT1      ARG   1   1.643  15.531  -2.329
    4    HA   ARG   1           HA       ARG   1   2.979  13.806  -3.177
    5   1HB   ARG   1           HB1      ARG   1   4.891  15.712  -3.417
    6   2HB   ARG   1           HB2      ARG   1   5.480  14.856  -1.991
    7   1HG   ARG   1           HG1      ARG   1   5.999  13.000  -3.185
    8   2HG   ARG   1           HG2      ARG   1   4.521  13.096  -4.146
    9   1HD   ARG   1           HD1      ARG   1   6.017  13.636  -5.803
   10   2HD   ARG   1           HD2      ARG   1   5.818  15.250  -5.120
   11    HE   ARG   1           HE       ARG   1   7.973  13.615  -3.945
   12   1HH1  ARG   1          HH11      ARG   1   8.458  16.302  -3.444
   13   2HH1  ARG   1          HH12      ARG   1   9.366  16.897  -4.794
   14   1HH2  ARG   1          HH21      ARG   1   8.503  14.261  -6.876
   15   2HH2  ARG   1          HH22      ARG   1   9.391  15.741  -6.737
   16    H    GLU   2           HN       GLU   2   2.586  12.175  -1.791
   17    HA   GLU   2           HA       GLU   2   3.713  12.250   0.938
   18   1HB   GLU   2           HB1      GLU   2   1.266  13.156   0.893
   19   2HB   GLU   2           HB2      GLU   2   0.816  11.479   0.579
   20   1HG   GLU   2           HG1      GLU   2   1.841  10.746   2.635
   21   2HG   GLU   2           HG2      GLU   2   2.572  12.331   2.898
   22    H    CYS   3           HN       CYS   3   3.444   9.965   1.930
   23    HA   CYS   3           HA       CYS   3   3.467   7.600   1.713
   24   1HB   CYS   3           HB1      CYS   3   2.668   8.044  -1.142
   25   2HB   CYS   3           HB2      CYS   3   2.461   6.572  -0.195
   26    H    TYR   4           HN       TYR   4   5.830   9.103   1.257
   27    HA   TYR   4           HA       TYR   4   7.087   7.610  -0.992
   28   1HB   TYR   4           HB1      TYR   4   8.957   9.471  -0.171
   29   2HB   TYR   4           HB2      TYR   4   7.882   9.626  -1.550
   30    HD1  TYR   4           HD1      TYR   4   7.643  10.052   2.191
   31    HD2  TYR   4           HD2      TYR   4   6.711  11.618  -1.699
   32    HE1  TYR   4           HE1      TYR   4   6.597  12.041   3.242
   33    HE2  TYR   4           HE2      TYR   4   5.671  13.599  -0.650
   34    HH   TYR   4           HH       TYR   4   6.162  14.710   2.095
   35    H    LEU   5           HN       LEU   5   6.579   6.819   1.942
   36    HA   LEU   5           HA       LEU   5   9.279   5.876   2.410
   37   1HB   LEU   5           HB1      LEU   5   7.577   7.445   4.223
   38   2HB   LEU   5           HB2      LEU   5   8.719   6.298   4.872
   39    HG   LEU   5           HG       LEU   5   9.453   8.411   2.842
   40   1HD1  LEU   5          HD13      LEU   5   8.606   9.031   5.354
   41   2HD1  LEU   5          HD12      LEU   5  10.320   8.748   5.659
   42   3HD1  LEU   5          HD11      LEU   5   9.823   9.963   4.481
   43   1HD2  LEU   5          HD21      LEU   5  10.827   6.198   4.120
   44   2HD2  LEU   5          HD22      LEU   5  11.382   7.240   2.810
   45   3HD2  LEU   5          HD23      LEU   5  11.633   7.722   4.489
   46    H    ASN   6           HN       ASN   6   6.934   5.526   4.906
   47    HA   ASN   6           HA       ASN   6   6.019   3.605   5.855
   48   1HB   ASN   6           HB1      ASN   6   4.368   2.636   4.556
   49   2HB   ASN   6           HB2      ASN   6   4.668   4.102   3.632
   50   1HD2  ASN   6          HD22      ASN   6   5.322   2.194   0.765
   51   2HD2  ASN   6          HD21      ASN   6   4.582   3.555   1.457
   52    HA   PRO   7           HA       PRO   7   8.844   0.261   5.646
   53   1HB   PRO   7           HB1      PRO   7   7.247  -1.839   6.420
   54   2HB   PRO   7           HB2      PRO   7   7.814  -0.578   7.528
   55   1HG   PRO   7           HG1      PRO   7   5.097  -1.001   6.364
   56   2HG   PRO   7           HG2      PRO   7   5.555  -0.175   7.862
   57   1HD   PRO   7           HD1      PRO   7   4.866   1.044   5.371
   58   2HD   PRO   7           HD2      PRO   7   5.532   1.860   6.802
   59    H    HIS   8           HN       HIS   8   8.189   0.732   3.010
   60    HA   HIS   8           HA       HIS   8   8.465  -1.835   1.772
   61   1HB   HIS   8           HB1      HIS   8   5.709  -0.775   2.098
   62   2HB   HIS   8           HB2      HIS   8   6.116  -1.417   0.507
   63    HD1  HIS   8           HD1      HIS   8   4.116  -2.954   2.279
   64    HD2  HIS   8           HD2      HIS   8   8.217  -3.699   2.269
   65    HE1  HIS   8           HE1      HIS   8   4.415  -5.322   3.129
   66    H    ASP   9           HN       ASP   9   7.538  -1.405  -0.755
   67    HA   ASP   9           HA       ASP   9   9.414   0.308  -1.938
   68   1HB   ASP   9           HB1      ASP   9   7.640  -1.441  -2.936
   69   2HB   ASP   9           HB2      ASP   9   6.782   0.054  -3.310
   70    H    THR  10           HN       THR  10   5.951   1.057  -1.349
   71    HA   THR  10           HA       THR  10   4.992   3.135  -0.795
   72    HB   THR  10           HB       THR  10   7.483   4.695  -1.163
   73    HG1  THR  10           HG1      THR  10   7.229   2.557   0.658
   74   1HG2  THR  10          HG21      THR  10   5.046   4.886   0.250
   75   2HG2  THR  10          HG23      THR  10   6.302   4.738   1.464
   76   3HG2  THR  10          HG22      THR  10   6.385   6.022   0.269
   77    H    GLN  11           HN       GLN  11   4.639   5.315  -1.929
   78    HA   GLN  11           HA       GLN  11   5.676   5.696  -4.577
   79   1HB   GLN  11           HB1      GLN  11   4.269   3.889  -5.247
   80   2HB   GLN  11           HB2      GLN  11   2.937   4.465  -4.246
   81   1HG   GLN  11           HG1      GLN  11   2.787   6.500  -5.675
   82   2HG   GLN  11           HG2      GLN  11   4.065   5.846  -6.701
   83   1HE2  GLN  11          HE22      GLN  11   1.877   3.698  -8.451
   84   2HE2  GLN  11          HE21      GLN  11   3.448   4.321  -8.295
   85    H    THR  12           HN       THR  12   5.927   7.859  -4.058
   86    HA   THR  12           HA       THR  12   4.391   9.553  -2.563
   87    HB   THR  12           HB       THR  12   5.386  11.352  -3.744
   88    HG1  THR  12           HG1      THR  12   6.053  11.162  -5.845
   89   1HG2  THR  12          HG21      THR  12   6.849   9.069  -2.988
   90   2HG2  THR  12          HG23      THR  12   7.551   9.605  -4.514
   91   3HG2  THR  12          HG22      THR  12   7.458  10.716  -3.148
   92    H    CYS  13           HN       CYS  13   2.978  11.377  -3.364
   93    HA   CYS  13           HA       CYS  13   1.236  10.728  -5.651
   94   1HB   CYS  13           HB1      CYS  13   0.173   9.484  -3.864
   95   2HB   CYS  13           HB2      CYS  13   0.292  10.867  -2.780
   96    HA   PRO  14           HA       PRO  14   1.902  15.238  -4.744
   97   1HB   PRO  14           HB1      PRO  14   3.062  15.821  -7.172
   98   2HB   PRO  14           HB2      PRO  14   3.978  15.340  -5.734
   99   1HG   PRO  14           HG1      PRO  14   3.300  13.752  -8.182
  100   2HG   PRO  14           HG2      PRO  14   4.692  13.597  -7.099
  101   1HD   PRO  14           HD1      PRO  14   2.389  11.945  -7.105
  102   2HD   PRO  14           HD2      PRO  14   3.607  12.023  -5.813
  103    H    SER  15           HN       SER  15   1.237  13.993  -8.046
  104    HA   SER  15           HA       SER  15  -1.150  15.794  -8.121
  105   1HB   SER  15           HB1      SER  15  -0.681  15.026 -10.733
  106   2HB   SER  15           HB2      SER  15  -0.152  16.545 -10.015
  107    HG   SER  15           HG       SER  15   1.780  15.858 -10.381
  108    H    GLY  16           HN       GLY  16  -3.079  14.740  -8.082
  109   1HA   GLY  16           HA1      GLY  16  -4.116  12.765  -9.579
  110   2HA   GLY  16           HA2      GLY  16  -3.103  11.813  -8.492
  111    H    GLN  17           HN       GLN  17  -3.800  11.501  -6.367
  112    HA   GLN  17           HA       GLN  17  -6.460  12.698  -5.694
  113   1HB   GLN  17           HB1      GLN  17  -5.315  10.027  -4.821
  114   2HB   GLN  17           HB2      GLN  17  -6.908  10.656  -4.401
  115   1HG   GLN  17           HG1      GLN  17  -7.711   9.738  -6.295
  116   2HG   GLN  17           HG2      GLN  17  -6.696  10.849  -7.215
  117   1HE2  GLN  17          HE22      GLN  17  -5.552   6.944  -6.768
  118   2HE2  GLN  17          HE21      GLN  17  -6.844   7.563  -5.857
  119    H    GLU  18           HN       GLU  18  -6.427  11.771  -2.982
  120    HA   GLU  18           HA       GLU  18  -4.062  13.179  -1.835
  121   1HB   GLU  18           HB1      GLU  18  -5.502  14.417  -0.300
  122   2HB   GLU  18           HB2      GLU  18  -6.001  14.752  -1.959
  123   1HG   GLU  18           HG1      GLU  18  -7.626  12.726  -1.591
  124   2HG   GLU  18           HG2      GLU  18  -7.353  13.051   0.122
  125    H    ILE  19           HN       ILE  19  -5.759  10.381  -1.956
  126    HA   ILE  19           HA       ILE  19  -5.449   9.775   0.948
  127    HB   ILE  19           HB       ILE  19  -6.714   8.007  -1.130
  128   1HG1  ILE  19          HG11      ILE  19  -7.584  10.615  -0.453
  129   2HG1  ILE  19          HG12      ILE  19  -8.484   9.395  -1.342
  130   1HG2  ILE  19          HG21      ILE  19  -6.874   8.263   1.879
  131   2HG2  ILE  19          HG22      ILE  19  -8.023   7.301   0.947
  132   3HG2  ILE  19          HG23      ILE  19  -6.308   6.885   0.936
  133   1HD1  ILE  19          HD13      ILE  19  -8.453   9.613   1.684
  134   2HD1  ILE  19          HD11      ILE  19  -9.714  10.293   0.654
  135   3HD1  ILE  19          HD12      ILE  19  -9.469   8.547   0.713
  136    H    CYS  20           HN       CYS  20  -4.463   7.740   1.497
  137    HA   CYS  20           HA       CYS  20  -2.422   6.865  -0.511
  138   1HB   CYS  20           HB1      CYS  20  -1.724   8.132   1.708
  139   2HB   CYS  20           HB2      CYS  20  -1.978   6.550   2.441
  140    H    TYR  21           HN       TYR  21  -2.881   4.804  -1.184
  141    HA   TYR  21           HA       TYR  21  -4.429   3.099   0.707
  142   1HB   TYR  21           HB1      TYR  21  -5.244   1.880  -1.111
  143   2HB   TYR  21           HB2      TYR  21  -5.147   3.507  -1.764
  144    HD1  TYR  21           HD2      TYR  21  -2.007   3.480  -2.000
  145    HD2  TYR  21           HD1      TYR  21  -5.105   0.774  -3.240
  146    HE1  TYR  21           HE2      TYR  21  -0.554   2.645  -3.827
  147    HE2  TYR  21           HE1      TYR  21  -3.646  -0.060  -5.061
  148    HH   TYR  21           HH       TYR  21  -0.436   1.363  -5.640
  149    H    VAL  22           HN       VAL  22  -3.741   0.841   0.988
  150    HA   VAL  22           HA       VAL  22  -0.798   0.558   0.527
  151    HB   VAL  22           HB       VAL  22  -0.552  -0.425   2.705
  152   1HG1  VAL  22          HG11      VAL  22  -0.787   2.108   2.528
  153   2HG1  VAL  22          HG13      VAL  22  -2.454   1.908   3.065
  154   3HG1  VAL  22          HG12      VAL  22  -1.125   1.436   4.121
  155   1HG2  VAL  22          HG22      VAL  22  -3.496  -0.674   2.476
  156   2HG2  VAL  22          HG21      VAL  22  -2.331  -1.750   3.247
  157   3HG2  VAL  22          HG23      VAL  22  -2.879  -0.299   4.085
  158    H    LYS  23           HN       LYS  23  -0.600  -0.990  -1.007
  159    HA   LYS  23           HA       LYS  23  -2.426  -3.348  -0.864
  160   1HB   LYS  23           HB1      LYS  23  -1.580  -3.769  -3.231
  161   2HB   LYS  23           HB2      LYS  23  -2.570  -2.325  -3.027
  162   1HG   LYS  23           HG1      LYS  23  -0.515  -0.953  -2.859
  163   2HG   LYS  23           HG2      LYS  23   0.464  -2.401  -3.091
  164   1HD   LYS  23           HD1      LYS  23  -1.530  -1.231  -5.055
  165   2HD   LYS  23           HD2      LYS  23   0.225  -1.243  -5.226
  166   1HE   LYS  23           HE1      LYS  23   0.193  -3.718  -5.246
  167   2HE   LYS  23           HE2      LYS  23  -1.564  -3.692  -5.102
  168   1HZ   LYS  23           HZ1      LYS  23  -0.873  -2.006  -7.203
  169   2HZ   LYS  23           HZ2      LYS  23   0.013  -3.440  -7.417
  170   3HZ   LYS  23           HZ3      LYS  23  -1.681  -3.494  -7.290
  171    H    SER  24           HN       SER  24  -1.539  -5.182  -0.064
  172    HA   SER  24           HA       SER  24   1.399  -5.563  -0.393
  173   1HB   SER  24           HB1      SER  24   1.039  -6.787   1.960
  174   2HB   SER  24           HB2      SER  24   1.421  -5.071   1.855
  175    HG   SER  24           HG       SER  24  -0.433  -5.605   3.185
  176    H    TRP  25           HN       TRP  25   1.753  -7.423  -1.493
  177    HA   TRP  25           HA       TRP  25   0.087  -9.809  -0.854
  178   1HB   TRP  25           HB1      TRP  25  -0.368 -10.247  -3.204
  179   2HB   TRP  25           HB2      TRP  25  -0.927  -8.615  -2.823
  180    HD1  TRP  25           HD1      TRP  25   1.410 -10.457  -5.071
  181    HE1  TRP  25           HE1      TRP  25   2.794  -8.756  -6.441
  182    HE3  TRP  25           HE3      TRP  25   0.263  -6.252  -2.525
  183    HZ2  TRP  25           HZ2      TRP  25   3.342  -5.918  -6.408
  184    HZ3  TRP  25           HZ3      TRP  25   1.205  -4.098  -3.152
  185    HH2  TRP  25           HH2      TRP  25   2.750  -3.885  -5.095
  186    H    CYS  26           HN       CYS  26   1.244 -11.751  -1.097
  187    HA   CYS  26           HA       CYS  26   3.955 -11.552  -2.320
  188   1HB   CYS  26           HB1      CYS  26   5.045 -12.460  -0.477
  189   2HB   CYS  26           HB2      CYS  26   3.834 -11.459   0.312
  190    H    ASN  27           HN       ASN  27   4.709 -14.197  -1.857
  191    HA   ASN  27           HA       ASN  27   2.672 -15.640  -3.500
  192   1HB   ASN  27           HB1      ASN  27   4.721 -17.130  -4.037
  193   2HB   ASN  27           HB2      ASN  27   4.670 -15.523  -4.763
  194   1HD2  ASN  27          HD22      ASN  27   7.457 -14.318  -2.922
  195   2HD2  ASN  27          HD21      ASN  27   6.170 -13.907  -3.949
  196    H    ALA  28           HN       ALA  28   3.265 -18.227  -3.134
  197    HA   ALA  28           HA       ALA  28   2.451 -18.693  -0.384
  198   1HB   ALA  28           HB1      ALA  28   2.927 -20.431  -2.780
  199   2HB   ALA  28           HB3      ALA  28   2.774 -21.170  -1.186
  200   3HB   ALA  28           HB2      ALA  28   1.447 -20.213  -1.845
  201    H    TRP  29           HN       TRP  29   5.369 -18.004  -1.604
  202    HA   TRP  29           HA       TRP  29   6.764 -19.585   0.497
  203   1HB   TRP  29           HB1      TRP  29   7.816 -19.046  -2.268
  204   2HB   TRP  29           HB2      TRP  29   8.590 -19.980  -1.013
  205    HD1  TRP  29           HD1      TRP  29   5.056 -20.072  -2.666
  206    HE1  TRP  29           HE1      TRP  29   4.519 -22.559  -3.140
  207    HE3  TRP  29           HE3      TRP  29   9.270 -22.176  -0.867
  208    HZ2  TRP  29           HZ2      TRP  29   5.764 -25.136  -2.778
  209    HZ3  TRP  29           HZ3      TRP  29   9.617 -24.651  -0.920
  210    HH2  TRP  29           HH2      TRP  29   7.859 -26.128  -1.874
  211    H    CYS  30           HN       CYS  30   5.802 -16.656   0.038
  212    HA   CYS  30           HA       CYS  30   8.168 -15.047  -0.232
  213   1HB   CYS  30           HB1      CYS  30   6.766 -13.254   0.843
  214   2HB   CYS  30           HB2      CYS  30   6.037 -14.003  -0.577
  215    H    SER  31           HN       SER  31   7.456 -17.206   2.208
  216    HA   SER  31           HA       SER  31   7.843 -16.007   4.656
  217   1HB   SER  31           HB1      SER  31   8.671 -18.043   5.433
  218   2HB   SER  31           HB2      SER  31   7.885 -18.553   3.942
  219    HG   SER  31           HG       SER  31   9.997 -19.371   4.066
  220    H    SER  32           HN       SER  32   9.039 -14.108   4.611
  221    HA   SER  32           HA       SER  32  10.919 -12.724   4.440
  222   1HB   SER  32           HB1      SER  32  12.612 -15.134   4.974
  223   2HB   SER  32           HB2      SER  32  12.806 -13.489   5.569
  224    HG   SER  32           HG       SER  32  11.883 -14.288   7.285
  225    H    ARG  33           HN       ARG  33  10.300 -12.922   2.134
  226    HA   ARG  33           HA       ARG  33  12.667 -13.850   0.571
  227   1HB   ARG  33           HB1      ARG  33  10.411 -15.271   0.461
  228   2HB   ARG  33           HB2      ARG  33   9.961 -14.015  -0.691
  229   1HG   ARG  33           HG1      ARG  33  12.421 -14.522  -1.616
  230   2HG   ARG  33           HG2      ARG  33  12.102 -16.092  -0.878
  231   1HD   ARG  33           HD1      ARG  33  10.201 -16.467  -2.246
  232   2HD   ARG  33           HD2      ARG  33  10.099 -14.769  -2.713
  233    HE   ARG  33           HE       ARG  33  11.349 -15.572  -4.562
  234   1HH1  ARG  33          HH11      ARG  33  13.775 -14.829  -2.977
  235   2HH1  ARG  33          HH12      ARG  33  14.708 -16.288  -3.032
  236   1HH2  ARG  33          HH21      ARG  33  12.044 -18.270  -4.028
  237   2HH2  ARG  33          HH22      ARG  33  13.728 -18.235  -3.627
  238    H    GLY  34           HN       GLY  34  10.922 -12.910  -1.846
  239   1HA   GLY  34           HA1      GLY  34  11.632 -10.032  -1.507
  240   2HA   GLY  34           HA2      GLY  34  11.523 -10.865  -3.058
  241    H    LYS  35           HN       LYS  35   9.312 -10.595  -0.252
  242    HA   LYS  35           HA       LYS  35   6.900 -10.702  -1.641
  243   1HB   LYS  35           HB1      LYS  35   7.419  -8.826   0.682
  244   2HB   LYS  35           HB2      LYS  35   5.880  -9.557   0.227
  245   1HG   LYS  35           HG1      LYS  35   6.367 -11.465   1.338
  246   2HG   LYS  35           HG2      LYS  35   7.968 -11.562   0.603
  247   1HD   LYS  35           HD1      LYS  35   8.900 -10.086   2.257
  248   2HD   LYS  35           HD2      LYS  35   7.300  -9.667   2.871
  249   1HE   LYS  35           HE1      LYS  35   8.682 -12.359   3.057
  250   2HE   LYS  35           HE2      LYS  35   8.288 -11.274   4.390
  251   1HZ   LYS  35           HZ1      LYS  35   5.906 -11.520   3.636
  252   2HZ   LYS  35           HZ2      LYS  35   6.434 -12.822   2.680
  253   3HZ   LYS  35           HZ3      LYS  35   6.605 -12.880   4.369
  254    H    VAL  36           HN       VAL  36   5.676  -9.250  -2.835
  255    HA   VAL  36           HA       VAL  36   7.039  -6.700  -3.579
  256    HB   VAL  36           HB       VAL  36   4.649  -7.367  -5.119
  257   1HG1  VAL  36          HG11      VAL  36   7.390  -6.404  -5.477
  258   2HG1  VAL  36          HG13      VAL  36   6.871  -7.476  -6.777
  259   3HG1  VAL  36          HG12      VAL  36   5.938  -6.026  -6.404
  260   1HG2  VAL  36          HG23      VAL  36   6.893  -9.405  -4.986
  261   2HG2  VAL  36          HG22      VAL  36   5.182  -9.685  -4.659
  262   3HG2  VAL  36          HG21      VAL  36   5.720  -9.327  -6.301
  263    H    LEU  37           HN       LEU  37   6.186  -6.016  -1.340
  264    HA   LEU  37           HA       LEU  37   3.300  -5.309  -1.457
  265   1HB   LEU  37           HB1      LEU  37   5.269  -5.751   0.782
  266   2HB   LEU  37           HB2      LEU  37   3.737  -4.940   1.048
  267    HG   LEU  37           HG       LEU  37   2.494  -6.870   0.421
  268   1HD1  LEU  37          HD13      LEU  37   5.118  -7.831  -0.705
  269   2HD1  LEU  37          HD12      LEU  37   3.799  -8.952  -0.368
  270   3HD1  LEU  37          HD11      LEU  37   3.573  -7.650  -1.533
  271   1HD2  LEU  37          HD21      LEU  37   4.743  -7.214   2.286
  272   2HD2  LEU  37          HD23      LEU  37   3.018  -7.494   2.533
  273   3HD2  LEU  37          HD22      LEU  37   4.005  -8.716   1.730
  274    H    GLU  38           HN       GLU  38   3.026  -3.214  -2.156
  275    HA   GLU  38           HA       GLU  38   4.784  -1.134  -0.937
  276   1HB   GLU  38           HB1      GLU  38   4.733   0.075  -3.148
  277   2HB   GLU  38           HB2      GLU  38   5.659  -1.427  -3.165
  278   1HG   GLU  38           HG1      GLU  38   4.388  -1.936  -4.985
  279   2HG   GLU  38           HG2      GLU  38   3.139  -2.319  -3.800
  280    H    PHE  39           HN       PHE  39   3.792   1.076  -1.174
  281    HA   PHE  39           HA       PHE  39   0.827   0.935  -1.189
  282   1HB   PHE  39           HB1      PHE  39   2.482   2.749   0.580
  283   2HB   PHE  39           HB2      PHE  39   0.740   2.480   0.659
  284    HD1  PHE  39           HD2      PHE  39   0.740  -0.512   0.203
  285    HD2  PHE  39           HD1      PHE  39   3.148   1.975   2.749
  286    HE1  PHE  39           HE2      PHE  39   1.111  -2.434   1.727
  287    HE2  PHE  39           HE1      PHE  39   3.520   0.053   4.274
  288    HZ   PHE  39           HZ       PHE  39   2.501  -2.154   3.763
  289    H    GLY  40           HN       GLY  40  -0.179   3.116  -1.732
  290   1HA   GLY  40           HA1      GLY  40   1.612   5.025  -3.072
  291   2HA   GLY  40           HA2      GLY  40   0.517   4.152  -4.141
  292    H    CYS  41           HN       CYS  41  -0.794   5.898  -4.712
  293    HA   CYS  41           HA       CYS  41  -2.054   7.486  -2.549
  294   1HB   CYS  41           HB1      CYS  41  -0.966   8.388  -4.765
  295   2HB   CYS  41           HB2      CYS  41  -2.487   7.917  -5.487
  296    H    ALA  42           HN       ALA  42  -4.417   8.086  -3.419
  297    HA   ALA  42           HA       ALA  42  -6.020   6.211  -4.775
  298   1HB   ALA  42           HB1      ALA  42  -5.212   5.358  -2.115
  299   2HB   ALA  42           HB3      ALA  42  -6.966   5.483  -2.248
  300   3HB   ALA  42           HB2      ALA  42  -6.069   4.456  -3.365
  301    H    ALA  43           HN       ALA  43  -8.391   6.333  -3.849
  302    HA   ALA  43           HA       ALA  43  -8.894   9.179  -3.148
  303   1HB   ALA  43           HB3      ALA  43 -10.001   7.399  -5.151
  304   2HB   ALA  43           HB2      ALA  43 -11.272   8.037  -4.109
  305   3HB   ALA  43           HB1      ALA  43 -10.207   9.142  -4.979
  306    H    THR  44           HN       THR  44 -10.009   5.841  -2.555
  307    HA   THR  44           HA       THR  44 -10.768   6.640   0.178
  308    HB   THR  44           HB       THR  44 -12.806   7.025  -1.243
  309    HG1  THR  44           HG1      THR  44 -12.854   4.897   0.628
  310   1HG2  THR  44          HG23      THR  44 -11.992   4.514  -2.326
  311   2HG2  THR  44          HG22      THR  44 -13.574   4.294  -1.582
  312   3HG2  THR  44          HG21      THR  44 -13.349   5.525  -2.823
  313    H    CYS  45           HN       CYS  45 -10.734   4.874   1.602
  314    HA   CYS  45           HA       CYS  45  -9.039   2.827   1.342
  315   1HB   CYS  45           HB1      CYS  45 -10.404   3.450   3.359
  316   2HB   CYS  45           HB2      CYS  45 -11.713   2.491   2.678
  317    HA   PRO  46           HA       PRO  46 -11.162   0.499  -1.914
  318   1HB   PRO  46           HB1      PRO  46  -8.906  -0.853  -2.739
  319   2HB   PRO  46           HB2      PRO  46  -9.347   0.769  -3.298
  320   1HG   PRO  46           HG1      PRO  46  -7.199  -0.058  -1.417
  321   2HG   PRO  46           HG2      PRO  46  -7.337   1.421  -2.374
  322   1HD   PRO  46           HD1      PRO  46  -7.900   1.091   0.415
  323   2HD   PRO  46           HD2      PRO  46  -8.170   2.543  -0.571
  324    H    SER  47           HN       SER  47 -12.014  -1.600  -1.844
  325    HA   SER  47           HA       SER  47 -10.895  -3.406   0.265
  326   1HB   SER  47           HB1      SER  47 -13.117  -2.446   0.848
  327   2HB   SER  47           HB2      SER  47 -13.784  -3.160  -0.618
  328    HG   SER  47           HG       SER  47 -12.356  -4.806   1.123
  329    H    VAL  48           HN       VAL  48  -9.711  -3.810  -2.062
  330    HA   VAL  48           HA       VAL  48 -11.246  -5.910  -3.502
  331    HB   VAL  48           HB       VAL  48  -8.878  -4.251  -4.248
  332   1HG1  VAL  48          HG11      VAL  48  -9.859  -6.831  -5.435
  333   2HG1  VAL  48          HG13      VAL  48  -9.078  -5.623  -6.454
  334   3HG1  VAL  48          HG12      VAL  48  -8.201  -6.334  -5.099
  335   1HG2  VAL  48          HG21      VAL  48 -11.581  -4.724  -5.524
  336   2HG2  VAL  48          HG23      VAL  48 -11.106  -3.283  -4.624
  337   3HG2  VAL  48          HG22      VAL  48 -10.330  -3.657  -6.163
  338    H    ASN  49           HN       ASN  49 -10.704  -8.014  -3.084
  339    HA   ASN  49           HA       ASN  49  -8.123  -8.501  -1.737
  340   1HB   ASN  49           HB1      ASN  49 -10.370  -9.073  -0.586
  341   2HB   ASN  49           HB2      ASN  49 -10.436 -10.421  -1.721
  342   1HD2  ASN  49          HD22      ASN  49  -8.665 -11.617   1.343
  343   2HD2  ASN  49          HD21      ASN  49 -10.222 -11.034   1.001
  344    H    THR  50           HN       THR  50  -8.635  -8.363  -4.692
  345    HA   THR  50           HA       THR  50  -8.581 -11.055  -5.735
  346    HB   THR  50           HB       THR  50  -7.184  -9.067  -7.363
  347    HG1  THR  50           HG1      THR  50  -8.577  -7.491  -7.256
  348   1HG2  THR  50          HG22      THR  50  -9.579 -10.871  -7.571
  349   2HG2  THR  50          HG21      THR  50  -9.292  -9.639  -8.800
  350   3HG2  THR  50          HG23      THR  50  -8.087 -10.894  -8.512
  351    H    GLY  51           HN       GLY  51  -6.963 -12.087  -4.366
  352   1HA   GLY  51           HA1      GLY  51  -4.770 -12.704  -3.765
  353   2HA   GLY  51           HA2      GLY  51  -4.389 -12.326  -5.449
  354    H    THR  52           HN       THR  52  -5.710  -9.821  -3.451
  355    HA   THR  52           HA       THR  52  -3.008  -8.695  -2.924
  356    HB   THR  52           HB       THR  52  -5.264  -7.336  -4.424
  357    HG1  THR  52           HG1      THR  52  -3.396  -6.965  -5.845
  358   1HG2  THR  52          HG21      THR  52  -2.792  -6.183  -3.114
  359   2HG2  THR  52          HG23      THR  52  -3.691  -5.343  -4.378
  360   3HG2  THR  52          HG22      THR  52  -4.471  -5.718  -2.842
  361    H    GLU  53           HN       GLU  53  -2.923  -7.826  -0.887
  362    HA   GLU  53           HA       GLU  53  -5.483  -7.569   0.593
  363   1HB   GLU  53           HB1      GLU  53  -2.807  -7.226   1.895
  364   2HB   GLU  53           HB2      GLU  53  -4.283  -7.934   2.549
  365   1HG   GLU  53           HG1      GLU  53  -3.650  -9.581   0.390
  366   2HG   GLU  53           HG2      GLU  53  -2.085  -9.218   1.117
  367    H    ILE  54           HN       ILE  54  -6.212  -5.514  -0.130
  368    HA   ILE  54           HA       ILE  54  -4.322  -3.252   0.187
  369    HB   ILE  54           HB       ILE  54  -6.034  -3.743  -1.829
  370   1HG1  ILE  54          HG11      ILE  54  -5.630  -0.911  -0.896
  371   2HG1  ILE  54          HG12      ILE  54  -4.274  -1.897  -1.445
  372   1HG2  ILE  54          HG21      ILE  54  -7.860  -3.198   0.128
  373   2HG2  ILE  54          HG22      ILE  54  -7.626  -1.608  -0.594
  374   3HG2  ILE  54          HG23      ILE  54  -8.140  -2.960  -1.594
  375   1HD1  ILE  54          HD12      ILE  54  -6.194  -2.328  -3.399
  376   2HD1  ILE  54          HD13      ILE  54  -6.398  -0.621  -3.008
  377   3HD1  ILE  54          HD11      ILE  54  -4.827  -1.222  -3.534
  378    H    LYS  55           HN       LYS  55  -5.141  -1.270   1.267
  379    HA   LYS  55           HA       LYS  55  -7.360  -1.559   3.145
  380   1HB   LYS  55           HB1      LYS  55  -4.501  -1.794   4.014
  381   2HB   LYS  55           HB2      LYS  55  -5.641  -0.957   5.068
  382   1HG   LYS  55           HG1      LYS  55  -6.977  -3.281   4.209
  383   2HG   LYS  55           HG2      LYS  55  -5.336  -3.802   4.591
  384   1HD   LYS  55           HD1      LYS  55  -5.500  -3.085   6.825
  385   2HD   LYS  55           HD2      LYS  55  -6.840  -1.992   6.473
  386   1HE   LYS  55           HE1      LYS  55  -7.300  -4.879   5.920
  387   2HE   LYS  55           HE2      LYS  55  -7.192  -4.413   7.617
  388   1HZ   LYS  55           HZ1      LYS  55  -8.766  -2.550   6.185
  389   2HZ   LYS  55           HZ2      LYS  55  -9.364  -4.121   5.933
  390   3HZ   LYS  55           HZ3      LYS  55  -9.198  -3.514   7.511
  391    H    CYS  56           HN       CYS  56  -6.957   0.498   4.814
  392    HA   CYS  56           HA       CYS  56  -6.643   2.795   2.945
  393   1HB   CYS  56           HB1      CYS  56  -7.616   3.587   5.546
  394   2HB   CYS  56           HB2      CYS  56  -8.419   3.716   3.986
  395    H    CYS  57           HN       CYS  57  -5.281   4.544   3.492
  396    HA   CYS  57           HA       CYS  57  -3.758   4.554   5.980
  397   1HB   CYS  57           HB1      CYS  57  -2.589   2.757   4.791
  398   2HB   CYS  57           HB2      CYS  57  -2.396   3.791   3.378
  399    H    SER  58           HN       SER  58  -2.586   6.507   6.212
  400    HA   SER  58           HA       SER  58  -2.691   8.364   3.914
  401   1HB   SER  58           HB1      SER  58  -3.927   8.791   6.617
  402   2HB   SER  58           HB2      SER  58  -3.378  10.168   5.666
  403    HG   SER  58           HG       SER  58  -5.516   9.746   5.163
  404    H    ALA  59           HN       ALA  59  -0.983   7.055   6.471
  405    HA   ALA  59           HA       ALA  59   1.317   8.739   5.873
  406   1HB   ALA  59           HB3      ALA  59  -0.048   9.002   8.566
  407   2HB   ALA  59           HB2      ALA  59   1.580   9.586   8.222
  408   3HB   ALA  59           HB1      ALA  59   0.197  10.280   7.376
  409    H    ASP  60           HN       ASP  60   1.450   7.774   9.098
  410    HA   ASP  60           HA       ASP  60   2.954   5.336   8.337
  411   1HB   ASP  60           HB1      ASP  60   3.953   7.108   9.895
  412   2HB   ASP  60           HB2      ASP  60   2.752   6.603  11.084
  413    H    LYS  61           HN       LYS  61   0.093   5.499   8.194
  414    HA   LYS  61           HA       LYS  61  -0.741   3.716  10.408
  415   1HB   LYS  61           HB1      LYS  61  -2.206   5.589  10.329
  416   2HB   LYS  61           HB2      LYS  61  -2.282   5.543   8.568
  417   1HG   LYS  61           HG1      LYS  61  -3.581   3.525   8.596
  418   2HG   LYS  61           HG2      LYS  61  -3.293   3.291  10.320
  419   1HD   LYS  61           HD1      LYS  61  -4.800   4.949  10.930
  420   2HD   LYS  61           HD2      LYS  61  -4.592   5.836   9.420
  421   1HE   LYS  61           HE1      LYS  61  -5.864   4.147   8.207
  422   2HE   LYS  61           HE2      LYS  61  -5.974   3.145   9.655
  423   1HZ   LYS  61           HZ3      LYS  61  -6.888   5.693  10.316
  424   2HZ   LYS  61           HZ1      LYS  61  -7.642   5.260   8.860
  425   3HZ   LYS  61           HZ2      LYS  61  -7.786   4.254  10.221
  426    H    CYS  62           HN       CYS  62   0.367   3.613   7.303
  427    HA   CYS  62           HA       CYS  62  -1.352   1.909   5.888
  428   1HB   CYS  62           HB1      CYS  62   1.671   2.022   5.981
  429   2HB   CYS  62           HB2      CYS  62   0.791   1.003   4.846
  430    H    ASN  63           HN       ASN  63   1.249   0.984   8.161
  431    HA   ASN  63           HA       ASN  63   0.065  -1.741   8.264
  432   1HB   ASN  63           HB1      ASN  63   2.213  -2.439   9.235
  433   2HB   ASN  63           HB2      ASN  63   2.479  -1.601   7.707
  434   1HD2  ASN  63          HD22      ASN  63   4.181  -0.151  11.032
  435   2HD2  ASN  63          HD21      ASN  63   3.484  -1.696  10.937
  436    H    THR  64           HN       THR  64  -1.532  -0.112   9.604
  437    HA   THR  64           HA       THR  64  -0.774   0.540  12.292
  438    HB   THR  64           HB       THR  64  -3.550   0.001  12.254
  439    HG1  THR  64           HG1      THR  64  -3.945   0.117  10.195
  440   1HG2  THR  64          HG21      THR  64  -1.737   2.386  12.123
  441   2HG2  THR  64          HG23      THR  64  -3.486   2.602  12.045
  442   3HG2  THR  64          HG22      THR  64  -2.752   1.837  13.454
  443    H    TYR  65           HN       TYR  65  -1.443  -0.549  14.257
  444    HA   TYR  65           HA       TYR  65  -0.679  -3.033  14.797
  445   1HB   TYR  65           HB1      TYR  65  -1.660  -1.667  16.526
  446   2HB   TYR  65           HB2      TYR  65  -3.253  -1.795  15.781
  447    HD1  TYR  65           HD2      TYR  65  -0.769  -4.543  16.064
  448    HD2  TYR  65           HD1      TYR  65  -4.439  -2.881  17.561
  449    HE1  TYR  65           HE2      TYR  65  -1.196  -6.630  17.336
  450    HE2  TYR  65           HE1      TYR  65  -4.865  -4.968  18.834
  451    HH   TYR  65           HH       TYR  65  -3.090  -7.838  18.303
  452    HA   PRO  66           HA       PRO  66  -3.445  -5.218  11.886
  453   1HB   PRO  66           HB1      PRO  66  -1.566  -7.110  11.199
  454   2HB   PRO  66           HB2      PRO  66  -1.722  -5.539  10.393
  455   1HG   PRO  66           HG1      PRO  66   0.326  -6.474  12.363
  456   2HG   PRO  66           HG2      PRO  66   0.471  -5.249  11.093
  457   1HD   PRO  66           HD1      PRO  66   0.095  -4.762  13.860
  458   2HD   PRO  66           HD2      PRO  66  -0.078  -3.570  12.556
   
  No H/Q in entry =         458
  Start of MODEL    9
    1   1H    ARG   1           HT3      ARG   1   2.233  14.526   0.436
    2   2H    ARG   1           HT1      ARG   1   2.776  14.774  -1.151
    3   3H    ARG   1           HT2      ARG   1   1.110  14.772  -0.815
    4    HA   ARG   1           HA       ARG   1   1.136  12.660  -1.450
    5   1HB   ARG   1           HB1      ARG   1   3.053  11.692  -2.248
    6   2HB   ARG   1           HB2      ARG   1   3.693  13.314  -2.040
    7   1HG   ARG   1           HG1      ARG   1   3.860  11.174   0.098
    8   2HG   ARG   1           HG2      ARG   1   5.141  11.491  -1.069
    9   1HD   ARG   1           HD1      ARG   1   5.071  13.921  -0.281
   10   2HD   ARG   1           HD2      ARG   1   4.060  13.360   1.050
   11    HE   ARG   1           HE       ARG   1   5.963  11.985   1.814
   12   1HH1  ARG   1          HH21      ARG   1   7.248  12.236  -1.034
   13   2HH1  ARG   1          HH22      ARG   1   8.636  13.195  -0.641
   14   1HH2  ARG   1          HH11      ARG   1   7.449  14.110   2.484
   15   2HH2  ARG   1          HH12      ARG   1   8.749  14.255   1.350
   16    H    GLU   2           HN       GLU   2   0.995  10.556  -0.342
   17    HA   GLU   2           HA       GLU   2   1.637  10.713   2.568
   18   1HB   GLU   2           HB1      GLU   2  -0.929   9.542   1.469
   19   2HB   GLU   2           HB2      GLU   2  -0.517   9.820   3.161
   20   1HG   GLU   2           HG1      GLU   2  -0.169  12.322   2.064
   21   2HG   GLU   2           HG2      GLU   2  -1.537  11.703   1.137
   22    H    CYS   3           HN       CYS   3   3.324   9.427   0.911
   23    HA   CYS   3           HA       CYS   3   3.035   6.633   1.767
   24   1HB   CYS   3           HB1      CYS   3   3.695   7.142  -1.123
   25   2HB   CYS   3           HB2      CYS   3   3.151   5.645  -0.370
   26    H    TYR   4           HN       TYR   4   4.877   9.056   0.009
   27    HA   TYR   4           HA       TYR   4   7.182   9.386  -0.237
   28   1HB   TYR   4           HB1      TYR   4   8.256   8.881   2.231
   29   2HB   TYR   4           HB2      TYR   4   7.445  10.380   1.779
   30    HD1  TYR   4           HD2      TYR   4   4.800  10.358   2.027
   31    HD2  TYR   4           HD1      TYR   4   7.448   7.656   4.068
   32    HE1  TYR   4           HE2      TYR   4   3.041   9.910   3.717
   33    HE2  TYR   4           HE1      TYR   4   5.688   7.209   5.759
   34    HH   TYR   4           HH       TYR   4   3.101   9.099   6.262
   35    H    LEU   5           HN       LEU   5   7.601   6.853   2.223
   36    HA   LEU   5           HA       LEU   5   8.667   5.138   0.142
   37   1HB   LEU   5           HB1      LEU   5  10.203   6.110   2.479
   38   2HB   LEU   5           HB2      LEU   5  10.678   4.687   1.568
   39    HG   LEU   5           HG       LEU   5  10.078   7.208   0.070
   40   1HD1  LEU   5          HD12      LEU   5  12.434   6.728   1.870
   41   2HD1  LEU   5          HD11      LEU   5  12.667   7.612   0.362
   42   3HD1  LEU   5          HD13      LEU   5  11.543   8.222   1.577
   43   1HD2  LEU   5          HD23      LEU   5  10.975   4.668  -0.584
   44   2HD2  LEU   5          HD21      LEU   5  11.113   6.096  -1.609
   45   3HD2  LEU   5          HD22      LEU   5  12.458   5.622  -0.571
   46    H    ASN   6           HN       ASN   6   7.878   5.308   3.622
   47    HA   ASN   6           HA       ASN   6   7.076   3.598   5.028
   48   1HB   ASN   6           HB1      ASN   6   6.413   1.898   2.645
   49   2HB   ASN   6           HB2      ASN   6   5.476   2.182   4.112
   50   1HD2  ASN   6          HD22      ASN   6   4.179   4.123   1.053
   51   2HD2  ASN   6          HD21      ASN   6   4.811   2.549   1.119
   52    HA   PRO   7           HA       PRO   7  10.166   0.452   5.102
   53   1HB   PRO   7           HB1      PRO   7   8.878  -1.928   5.600
   54   2HB   PRO   7           HB2      PRO   7   9.102  -0.650   6.807
   55   1HG   PRO   7           HG1      PRO   7   6.639  -1.455   5.332
   56   2HG   PRO   7           HG2      PRO   7   6.789  -0.628   6.891
   57   1HD   PRO   7           HD1      PRO   7   6.186   0.551   4.361
   58   2HD   PRO   7           HD2      PRO   7   6.524   1.416   5.877
   59    H    HIS   8           HN       HIS   8   8.735   0.771   2.331
   60    HA   HIS   8           HA       HIS   8  10.362  -0.892   0.813
   61   1HB   HIS   8           HB1      HIS   8   8.583  -2.686   0.174
   62   2HB   HIS   8           HB2      HIS   8   9.518  -2.900   1.653
   63    HD1  HIS   8           HD1      HIS   8   7.229  -4.384   2.200
   64    HD2  HIS   8           HD2      HIS   8   6.884  -0.231   2.288
   65    HE1  HIS   8           HE1      HIS   8   5.107  -3.872   3.485
   66    H    ASP   9           HN       ASP   9  10.217  -0.180  -1.239
   67    HA   ASP   9           HA       ASP   9   9.444   1.110  -3.046
   68   1HB   ASP   9           HB1      ASP   9   7.246  -0.858  -2.448
   69   2HB   ASP   9           HB2      ASP   9   7.138   0.244  -3.821
   70    H    THR  10           HN       THR  10   7.107   2.161  -3.830
   71    HA   THR  10           HA       THR  10   5.288   3.262  -2.163
   72    HB   THR  10           HB       THR  10   6.703   5.665  -2.139
   73    HG1  THR  10           HG1      THR  10   8.682   4.953  -2.345
   74   1HG2  THR  10          HG21      THR  10   5.190   4.458  -0.415
   75   2HG2  THR  10          HG23      THR  10   6.692   3.791   0.212
   76   3HG2  THR  10          HG22      THR  10   6.444   5.530   0.183
   77    H    GLN  11           HN       GLN  11   4.393   5.404  -3.051
   78    HA   GLN  11           HA       GLN  11   5.175   5.891  -5.839
   79   1HB   GLN  11           HB1      GLN  11   3.025   4.295  -5.310
   80   2HB   GLN  11           HB2      GLN  11   2.261   5.885  -5.385
   81   1HG   GLN  11           HG1      GLN  11   3.697   6.172  -7.557
   82   2HG   GLN  11           HG2      GLN  11   3.788   4.412  -7.515
   83   1HE2  GLN  11          HE22      GLN  11   0.754   5.269  -9.488
   84   2HE2  GLN  11          HE21      GLN  11   2.430   5.474  -9.670
   85    H    THR  12           HN       THR  12   3.448   6.921  -2.952
   86    HA   THR  12           HA       THR  12   3.121   9.054  -2.082
   87    HB   THR  12           HB       THR  12   4.563  10.749  -2.679
   88    HG1  THR  12           HG1      THR  12   5.459  10.599  -4.973
   89   1HG2  THR  12          HG21      THR  12   5.681   8.426  -2.325
   90   2HG2  THR  12          HG23      THR  12   6.053   8.530  -4.046
   91   3HG2  THR  12          HG22      THR  12   6.664   9.757  -2.936
   92    H    CYS  13           HN       CYS  13   1.578  10.658  -2.320
   93    HA   CYS  13           HA       CYS  13   0.249  10.884  -4.984
   94   1HB   CYS  13           HB1      CYS  13  -0.976   9.370  -3.328
   95   2HB   CYS  13           HB2      CYS  13  -1.207  10.804  -2.334
   96    HA   PRO  14           HA       PRO  14   1.194  14.961  -2.882
   97   1HB   PRO  14           HB1      PRO  14   2.997  15.855  -4.762
   98   2HB   PRO  14           HB2      PRO  14   3.453  14.957  -3.303
   99   1HG   PRO  14           HG1      PRO  14   3.305  14.027  -6.145
  100   2HG   PRO  14           HG2      PRO  14   4.339  13.445  -4.829
  101   1HD   PRO  14           HD1      PRO  14   1.981  12.190  -5.774
  102   2HD   PRO  14           HD2      PRO  14   2.815  11.826  -4.249
  103    H    SER  15           HN       SER  15   1.152  14.427  -6.435
  104    HA   SER  15           HA       SER  15  -0.597  16.819  -6.705
  105   1HB   SER  15           HB1      SER  15   0.162  17.018  -8.875
  106   2HB   SER  15           HB2      SER  15   1.549  16.193  -8.168
  107    HG   SER  15           HG       SER  15   0.980  14.343  -9.082
  108    H    GLY  16           HN       GLY  16  -2.551  16.635  -8.038
  109   1HA   GLY  16           HA1      GLY  16  -4.470  15.521  -8.844
  110   2HA   GLY  16           HA2      GLY  16  -3.565  14.007  -8.771
  111    H    GLN  17           HN       GLN  17  -4.432  12.599  -7.331
  112    HA   GLN  17           HA       GLN  17  -6.350  13.436  -5.331
  113   1HB   GLN  17           HB1      GLN  17  -4.915  10.803  -5.785
  114   2HB   GLN  17           HB2      GLN  17  -6.185  11.037  -4.583
  115   1HG   GLN  17           HG1      GLN  17  -7.771  10.800  -6.165
  116   2HG   GLN  17           HG2      GLN  17  -7.052  12.097  -7.120
  117   1HE2  GLN  17          HE22      GLN  17  -5.480   8.361  -7.842
  118   2HE2  GLN  17          HE21      GLN  17  -5.719   8.865  -6.239
  119    H    GLU  18           HN       GLU  18  -5.829  12.280  -2.991
  120    HA   GLU  18           HA       GLU  18  -3.068  13.028  -2.178
  121   1HB   GLU  18           HB1      GLU  18  -3.956  14.304  -0.247
  122   2HB   GLU  18           HB2      GLU  18  -4.442  15.028  -1.780
  123   1HG   GLU  18           HG1      GLU  18  -6.526  14.973  -0.843
  124   2HG   GLU  18           HG2      GLU  18  -6.500  13.290  -1.373
  125    H    ILE  19           HN       ILE  19  -4.971  10.564  -2.397
  126    HA   ILE  19           HA       ILE  19  -4.816   9.662   0.442
  127    HB   ILE  19           HB       ILE  19  -6.093   8.189  -1.852
  128   1HG1  ILE  19          HG11      ILE  19  -6.826  10.764  -1.123
  129   2HG1  ILE  19          HG12      ILE  19  -7.870   9.600  -1.920
  130   1HG2  ILE  19          HG21      ILE  19  -6.373   8.162   1.159
  131   2HG2  ILE  19          HG22      ILE  19  -7.546   7.387   0.093
  132   3HG2  ILE  19          HG23      ILE  19  -5.867   6.844   0.102
  133   1HD1  ILE  19          HD12      ILE  19  -7.621   9.654   1.087
  134   2HD1  ILE  19          HD13      ILE  19  -8.738  10.731   0.248
  135   3HD1  ILE  19          HD11      ILE  19  -8.924   8.983   0.104
  136    H    CYS  20           HN       CYS  20  -4.039   7.470   0.792
  137    HA   CYS  20           HA       CYS  20  -2.025   6.606  -1.246
  138   1HB   CYS  20           HB1      CYS  20  -1.026   7.814   0.773
  139   2HB   CYS  20           HB2      CYS  20  -1.577   6.450   1.746
  140    H    TYR  21           HN       TYR  21  -2.275   4.472  -1.785
  141    HA   TYR  21           HA       TYR  21  -4.069   2.859  -0.038
  142   1HB   TYR  21           HB1      TYR  21  -4.576   1.529  -1.918
  143   2HB   TYR  21           HB2      TYR  21  -4.439   3.147  -2.602
  144    HD1  TYR  21           HD2      TYR  21  -2.528  -0.004  -1.995
  145    HD2  TYR  21           HD1      TYR  21  -2.832   3.629  -4.271
  146    HE1  TYR  21           HE2      TYR  21  -0.715  -0.792  -3.491
  147    HE2  TYR  21           HE1      TYR  21  -1.018   2.839  -5.769
  148    HH   TYR  21           HH       TYR  21   0.041   0.800  -6.455
  149    H    VAL  22           HN       VAL  22  -3.392   0.631   0.476
  150    HA   VAL  22           HA       VAL  22  -0.419   0.328   0.354
  151    HB   VAL  22           HB       VAL  22  -0.386  -0.520   2.601
  152   1HG1  VAL  22          HG12      VAL  22  -1.187   2.095   1.996
  153   2HG1  VAL  22          HG13      VAL  22  -2.279   1.591   3.285
  154   3HG1  VAL  22          HG11      VAL  22  -0.536   1.535   3.536
  155   1HG2  VAL  22          HG22      VAL  22  -3.323  -0.724   2.153
  156   2HG2  VAL  22          HG21      VAL  22  -2.229  -1.842   2.966
  157   3HG2  VAL  22          HG23      VAL  22  -2.773  -0.383   3.794
  158    H    LYS  23           HN       LYS  23  -0.078  -1.331  -1.048
  159    HA   LYS  23           HA       LYS  23  -1.969  -3.636  -1.033
  160   1HB   LYS  23           HB1      LYS  23   0.112  -2.657  -2.993
  161   2HB   LYS  23           HB2      LYS  23  -0.532  -4.297  -3.088
  162   1HG   LYS  23           HG1      LYS  23  -2.737  -3.521  -3.482
  163   2HG   LYS  23           HG2      LYS  23  -2.337  -1.878  -2.979
  164   1HD   LYS  23           HD1      LYS  23  -2.165  -1.543  -5.240
  165   2HD   LYS  23           HD2      LYS  23  -0.549  -2.206  -4.991
  166   1HE   LYS  23           HE1      LYS  23  -1.104  -3.827  -6.462
  167   2HE   LYS  23           HE2      LYS  23  -2.206  -4.451  -5.235
  168   1HZ   LYS  23           HZ1      LYS  23  -3.572  -2.377  -6.327
  169   2HZ   LYS  23           HZ2      LYS  23  -2.785  -3.055  -7.671
  170   3HZ   LYS  23           HZ3      LYS  23  -3.800  -4.014  -6.704
  171    H    SER  24           HN       SER  24  -1.309  -5.585  -0.162
  172    HA   SER  24           HA       SER  24   1.606  -5.952   0.307
  173   1HB   SER  24           HB1      SER  24   0.609  -7.061   2.568
  174   2HB   SER  24           HB2      SER  24   1.161  -5.391   2.479
  175    HG   SER  24           HG       SER  24  -1.105  -5.947   3.269
  176    H    TRP  25           HN       TRP  25   1.899  -7.683  -1.081
  177    HA   TRP  25           HA       TRP  25   0.209 -10.093  -0.499
  178   1HB   TRP  25           HB1      TRP  25   0.418 -10.715  -2.870
  179   2HB   TRP  25           HB2      TRP  25  -0.341  -9.132  -2.703
  180    HD1  TRP  25           HD1      TRP  25   2.646 -10.820  -4.197
  181    HE1  TRP  25           HE1      TRP  25   4.104  -9.045  -5.380
  182    HE3  TRP  25           HE3      TRP  25   0.474  -6.648  -2.363
  183    HZ2  TRP  25           HZ2      TRP  25   4.309  -6.167  -5.487
  184    HZ3  TRP  25           HZ3      TRP  25   1.295  -4.434  -2.957
  185    HH2  TRP  25           HH2      TRP  25   3.209  -4.148  -4.526
  186    H    CYS  26           HN       CYS  26   1.445 -12.119  -1.490
  187    HA   CYS  26           HA       CYS  26   4.379 -11.865  -1.039
  188   1HB   CYS  26           HB1      CYS  26   2.470 -13.156   0.739
  189   2HB   CYS  26           HB2      CYS  26   3.664 -14.306   0.140
  190    H    ASN  27           HN       ASN  27   5.111 -14.467  -1.291
  191    HA   ASN  27           HA       ASN  27   3.964 -15.265  -3.940
  192   1HB   ASN  27           HB1      ASN  27   6.675 -14.747  -3.103
  193   2HB   ASN  27           HB2      ASN  27   6.519 -16.429  -3.608
  194   1HD2  ASN  27          HD22      ASN  27   6.944 -15.216  -6.915
  195   2HD2  ASN  27          HD21      ASN  27   7.605 -16.148  -5.659
  196    H    ALA  28           HN       ALA  28   3.693 -16.069  -0.872
  197    HA   ALA  28           HA       ALA  28   2.867 -18.045   0.087
  198   1HB   ALA  28           HB1      ALA  28   2.786 -18.675  -2.647
  199   2HB   ALA  28           HB3      ALA  28   3.664 -20.000  -1.884
  200   3HB   ALA  28           HB2      ALA  28   2.044 -19.583  -1.332
  201    H    TRP  29           HN       TRP  29   5.937 -17.371  -0.911
  202    HA   TRP  29           HA       TRP  29   7.059 -19.345   1.002
  203   1HB   TRP  29           HB1      TRP  29   8.190 -18.719  -1.717
  204   2HB   TRP  29           HB2      TRP  29   8.918 -19.757  -0.519
  205    HD1  TRP  29           HD1      TRP  29   5.413 -19.546  -2.208
  206    HE1  TRP  29           HE1      TRP  29   4.696 -21.972  -2.755
  207    HE3  TRP  29           HE3      TRP  29   9.419 -22.002  -0.392
  208    HZ2  TRP  29           HZ2      TRP  29   5.740 -24.645  -2.440
  209    HZ3  TRP  29           HZ3      TRP  29   9.582 -24.493  -0.501
  210    HH2  TRP  29           HH2      TRP  29   7.740 -25.812  -1.526
  211    H    CYS  30           HN       CYS  30   6.501 -16.288   0.827
  212    HA   CYS  30           HA       CYS  30   9.123 -15.049   0.817
  213   1HB   CYS  30           HB1      CYS  30   7.870 -13.094   1.802
  214   2HB   CYS  30           HB2      CYS  30   7.272 -13.668   0.247
  215    H    SER  31           HN       SER  31   8.782 -17.281   2.808
  216    HA   SER  31           HA       SER  31   8.458 -16.461   5.445
  217   1HB   SER  31           HB1      SER  31   9.022 -18.782   4.809
  218   2HB   SER  31           HB2      SER  31  10.652 -18.270   4.383
  219    HG   SER  31           HG       SER  31  10.447 -17.343   6.718
  220    H    SER  32           HN       SER  32   9.116 -14.299   5.741
  221    HA   SER  32           HA       SER  32  10.610 -12.483   5.915
  222   1HB   SER  32           HB1      SER  32  12.710 -14.234   7.010
  223   2HB   SER  32           HB2      SER  32  11.957 -12.804   7.709
  224    HG   SER  32           HG       SER  32  11.263 -15.453   7.961
  225    H    ARG  33           HN       ARG  33  10.935 -12.376   3.635
  226    HA   ARG  33           HA       ARG  33  13.763 -12.929   2.901
  227   1HB   ARG  33           HB1      ARG  33  11.997 -14.669   1.995
  228   2HB   ARG  33           HB2      ARG  33  11.632 -13.389   0.837
  229   1HG   ARG  33           HG1      ARG  33  13.324 -14.619  -0.245
  230   2HG   ARG  33           HG2      ARG  33  14.213 -13.287   0.495
  231   1HD   ARG  33           HD1      ARG  33  13.835 -15.686   2.199
  232   2HD   ARG  33           HD2      ARG  33  14.897 -15.898   0.807
  233    HE   ARG  33           HE       ARG  33  15.533 -14.391   3.182
  234   1HH1  ARG  33          HH11      ARG  33  16.006 -14.739  -0.213
  235   2HH1  ARG  33          HH12      ARG  33  17.411 -13.727  -0.256
  236   1HH2  ARG  33          HH21      ARG  33  17.292 -12.962   3.123
  237   2HH2  ARG  33          HH22      ARG  33  18.140 -12.722   1.632
  238    H    GLY  34           HN       GLY  34  10.922 -11.700   1.112
  239   1HA   GLY  34           HA1      GLY  34  11.765  -8.938   1.297
  240   2HA   GLY  34           HA2      GLY  34  12.224  -9.644  -0.254
  241    H    LYS  35           HN       LYS  35   9.336  -9.770   1.876
  242    HA   LYS  35           HA       LYS  35   7.375 -10.281  -0.011
  243   1HB   LYS  35           HB1      LYS  35   7.175  -8.221   2.211
  244   2HB   LYS  35           HB2      LYS  35   5.815  -9.004   1.404
  245   1HG   LYS  35           HG1      LYS  35   6.652 -11.209   2.193
  246   2HG   LYS  35           HG2      LYS  35   7.962 -10.389   3.045
  247   1HD   LYS  35           HD1      LYS  35   5.652  -9.036   3.856
  248   2HD   LYS  35           HD2      LYS  35   5.174 -10.733   3.829
  249   1HE   LYS  35           HE1      LYS  35   6.078 -10.319   6.012
  250   2HE   LYS  35           HE2      LYS  35   7.309 -11.223   5.131
  251   1HZ   LYS  35           HZ2      LYS  35   8.142  -8.880   4.487
  252   2HZ   LYS  35           HZ3      LYS  35   7.258  -8.369   5.844
  253   3HZ   LYS  35           HZ1      LYS  35   8.512  -9.498   6.026
  254    H    VAL  36           HN       VAL  36   6.136  -8.994  -1.459
  255    HA   VAL  36           HA       VAL  36   7.524  -6.504  -2.324
  256    HB   VAL  36           HB       VAL  36   5.275  -7.564  -3.940
  257   1HG1  VAL  36          HG13      VAL  36   8.110  -6.647  -4.494
  258   2HG1  VAL  36          HG12      VAL  36   6.967  -7.136  -5.745
  259   3HG1  VAL  36          HG11      VAL  36   6.629  -5.722  -4.746
  260   1HG2  VAL  36          HG23      VAL  36   7.874  -9.092  -3.582
  261   2HG2  VAL  36          HG22      VAL  36   6.248  -9.686  -3.246
  262   3HG2  VAL  36          HG21      VAL  36   6.741  -9.360  -4.907
  263    H    LEU  37           HN       LEU  37   6.484  -5.505  -0.342
  264    HA   LEU  37           HA       LEU  37   3.620  -4.861  -0.773
  265   1HB   LEU  37           HB1      LEU  37   5.447  -4.937   1.615
  266   2HB   LEU  37           HB2      LEU  37   3.899  -4.113   1.672
  267    HG   LEU  37           HG       LEU  37   2.743  -6.063   1.753
  268   1HD1  LEU  37          HD13      LEU  37   3.345  -6.619  -0.629
  269   2HD1  LEU  37          HD12      LEU  37   4.778  -7.443  -0.018
  270   3HD1  LEU  37          HD11      LEU  37   3.172  -8.032   0.403
  271   1HD2  LEU  37          HD22      LEU  37   5.532  -6.757   2.544
  272   2HD2  LEU  37          HD21      LEU  37   4.075  -6.665   3.536
  273   3HD2  LEU  37          HD23      LEU  37   4.331  -8.047   2.471
  274    H    GLU  38           HN       GLU  38   3.435  -2.971  -1.882
  275    HA   GLU  38           HA       GLU  38   5.114  -0.668  -0.972
  276   1HB   GLU  38           HB1      GLU  38   5.388   0.075  -3.228
  277   2HB   GLU  38           HB2      GLU  38   5.773  -1.645  -3.244
  278   1HG   GLU  38           HG1      GLU  38   4.240  -1.839  -4.894
  279   2HG   GLU  38           HG2      GLU  38   3.016  -1.576  -3.649
  280    H    PHE  39           HN       PHE  39   4.045   1.398  -1.110
  281    HA   PHE  39           HA       PHE  39   1.094   1.198  -1.404
  282   1HB   PHE  39           HB1      PHE  39   2.509   3.213   0.345
  283   2HB   PHE  39           HB2      PHE  39   0.810   2.742   0.385
  284    HD1  PHE  39           HD2      PHE  39   1.323  -0.278   0.045
  285    HD2  PHE  39           HD1      PHE  39   3.030   2.677   2.656
  286    HE1  PHE  39           HE2      PHE  39   1.863  -2.049   1.695
  287    HE2  PHE  39           HE1      PHE  39   3.573   0.905   4.305
  288    HZ   PHE  39           HZ       PHE  39   2.989  -1.459   3.824
  289    H    GLY  40           HN       GLY  40   0.072   3.010  -2.486
  290   1HA   GLY  40           HA1      GLY  40   1.984   4.946  -3.703
  291   2HA   GLY  40           HA2      GLY  40   0.877   4.056  -4.744
  292    H    CYS  41           HN       CYS  41  -0.209   5.937  -5.444
  293    HA   CYS  41           HA       CYS  41  -1.543   7.598  -3.399
  294   1HB   CYS  41           HB1      CYS  41  -0.474   8.936  -5.030
  295   2HB   CYS  41           HB2      CYS  41  -0.994   7.906  -6.354
  296    H    ALA  42           HN       ALA  42  -3.803   8.114  -3.793
  297    HA   ALA  42           HA       ALA  42  -5.462   6.433  -5.471
  298   1HB   ALA  42           HB3      ALA  42  -4.856   5.591  -2.716
  299   2HB   ALA  42           HB2      ALA  42  -6.579   5.665  -3.082
  300   3HB   ALA  42           HB1      ALA  42  -5.512   4.656  -4.059
  301    H    ALA  43           HN       ALA  43  -7.853   6.685  -4.609
  302    HA   ALA  43           HA       ALA  43  -8.199   9.547  -3.879
  303   1HB   ALA  43           HB1      ALA  43  -9.004   8.438  -6.167
  304   2HB   ALA  43           HB3      ALA  43 -10.390   7.990  -5.172
  305   3HB   ALA  43           HB2      ALA  43  -9.956   9.689  -5.365
  306    H    THR  44           HN       THR  44  -9.521   6.270  -3.350
  307    HA   THR  44           HA       THR  44 -10.356   7.105  -0.659
  308    HB   THR  44           HB       THR  44 -12.284   7.723  -2.126
  309    HG1  THR  44           HG1      THR  44 -12.786   7.143  -0.058
  310   1HG2  THR  44          HG22      THR  44 -11.669   5.564  -3.593
  311   2HG2  THR  44          HG21      THR  44 -12.897   4.841  -2.554
  312   3HG2  THR  44          HG23      THR  44 -13.299   6.237  -3.554
  313    H    CYS  45           HN       CYS  45 -10.667   5.324   0.728
  314    HA   CYS  45           HA       CYS  45  -9.158   3.128   0.608
  315   1HB   CYS  45           HB1      CYS  45 -10.648   3.810   2.497
  316   2HB   CYS  45           HB2      CYS  45 -12.001   3.088   1.630
  317    HA   PRO  46           HA       PRO  46 -10.775   0.717  -2.773
  318   1HB   PRO  46           HB1      PRO  46  -9.328  -1.578  -2.288
  319   2HB   PRO  46           HB2      PRO  46  -8.650  -0.134  -3.062
  320   1HG   PRO  46           HG1      PRO  46  -8.299  -1.146  -0.275
  321   2HG   PRO  46           HG2      PRO  46  -7.184  -0.197  -1.271
  322   1HD   PRO  46           HD1      PRO  46  -8.800   0.773   0.802
  323   2HD   PRO  46           HD2      PRO  46  -7.984   1.759  -0.426
  324    H    SER  47           HN       SER  47 -11.753  -1.602  -3.030
  325    HA   SER  47           HA       SER  47 -13.020  -2.528  -0.496
  326   1HB   SER  47           HB1      SER  47 -14.387  -1.686  -3.047
  327   2HB   SER  47           HB2      SER  47 -15.139  -2.855  -1.966
  328    HG   SER  47           HG       SER  47 -15.605  -0.532  -1.614
  329    H    VAL  48           HN       VAL  48 -11.036  -3.363  -2.876
  330    HA   VAL  48           HA       VAL  48 -12.214  -6.075  -3.250
  331    HB   VAL  48           HB       VAL  48 -10.292  -4.485  -4.891
  332   1HG1  VAL  48          HG11      VAL  48 -10.929  -7.435  -5.020
  333   2HG1  VAL  48          HG13      VAL  48 -10.220  -6.547  -6.369
  334   3HG1  VAL  48          HG12      VAL  48  -9.340  -6.690  -4.847
  335   1HG2  VAL  48          HG21      VAL  48 -13.109  -5.178  -5.006
  336   2HG2  VAL  48          HG23      VAL  48 -12.217  -3.990  -5.957
  337   3HG2  VAL  48          HG22      VAL  48 -12.262  -5.677  -6.470
  338    H    ASN  49           HN       ASN  49 -11.302  -7.576  -1.920
  339    HA   ASN  49           HA       ASN  49  -8.420  -7.324  -1.335
  340   1HB   ASN  49           HB1      ASN  49 -10.022  -6.752   0.589
  341   2HB   ASN  49           HB2      ASN  49 -10.417  -8.469   0.605
  342   1HD2  ASN  49          HD22      ASN  49  -7.491  -7.747   2.916
  343   2HD2  ASN  49          HD21      ASN  49  -9.034  -7.054   2.779
  344    H    THR  50           HN       THR  50  -8.820  -8.825  -3.434
  345    HA   THR  50           HA       THR  50  -9.667 -11.542  -2.896
  346    HB   THR  50           HB       THR  50  -9.677 -10.601  -5.174
  347    HG1  THR  50           HG1      THR  50  -9.031 -12.925  -4.572
  348   1HG2  THR  50          HG22      THR  50  -7.102  -9.691  -4.428
  349   2HG2  THR  50          HG21      THR  50  -6.874 -10.802  -5.781
  350   3HG2  THR  50          HG23      THR  50  -7.943  -9.409  -5.953
  351    H    GLY  51           HN       GLY  51  -6.773 -12.116  -4.377
  352   1HA   GLY  51           HA1      GLY  51  -5.585 -13.121  -1.903
  353   2HA   GLY  51           HA2      GLY  51  -4.907 -13.292  -3.526
  354    H    THR  52           HN       THR  52  -5.815 -10.109  -3.073
  355    HA   THR  52           HA       THR  52  -3.012  -9.312  -2.492
  356    HB   THR  52           HB       THR  52  -5.359  -7.916  -3.807
  357    HG1  THR  52           HG1      THR  52  -2.744  -8.277  -4.793
  358   1HG2  THR  52          HG23      THR  52  -2.989  -6.796  -2.463
  359   2HG2  THR  52          HG22      THR  52  -3.199  -6.242  -4.124
  360   3HG2  THR  52          HG21      THR  52  -4.489  -6.005  -2.945
  361    H    GLU  53           HN       GLU  53  -2.578  -8.407  -0.512
  362    HA   GLU  53           HA       GLU  53  -4.834  -7.862   1.298
  363   1HB   GLU  53           HB1      GLU  53  -1.923  -7.397   1.944
  364   2HB   GLU  53           HB2      GLU  53  -3.239  -7.809   3.042
  365   1HG   GLU  53           HG1      GLU  53  -2.713  -9.778   0.884
  366   2HG   GLU  53           HG2      GLU  53  -1.448  -9.624   2.101
  367    H    ILE  54           HN       ILE  54  -5.625  -5.986   0.020
  368    HA   ILE  54           HA       ILE  54  -3.856  -3.615   0.092
  369    HB   ILE  54           HB       ILE  54  -5.868  -4.517  -1.691
  370   1HG1  ILE  54          HG11      ILE  54  -4.730  -1.758  -1.826
  371   2HG1  ILE  54          HG12      ILE  54  -3.631  -3.134  -1.897
  372   1HG2  ILE  54          HG23      ILE  54  -7.458  -3.276  -0.175
  373   2HG2  ILE  54          HG22      ILE  54  -6.582  -1.809  -0.597
  374   3HG2  ILE  54          HG21      ILE  54  -7.421  -2.714  -1.843
  375   1HD1  ILE  54          HD13      ILE  54  -6.055  -2.786  -3.688
  376   2HD1  ILE  54          HD11      ILE  54  -4.405  -2.382  -4.160
  377   3HD1  ILE  54          HD12      ILE  54  -4.835  -4.055  -3.806
  378    H    LYS  55           HN       LYS  55  -5.147  -1.522   0.667
  379    HA   LYS  55           HA       LYS  55  -7.254  -1.637   2.599
  380   1HB   LYS  55           HB1      LYS  55  -4.441  -1.809   3.596
  381   2HB   LYS  55           HB2      LYS  55  -5.564  -0.781   4.484
  382   1HG   LYS  55           HG1      LYS  55  -7.103  -2.984   4.125
  383   2HG   LYS  55           HG2      LYS  55  -5.506  -3.729   4.192
  384   1HD   LYS  55           HD1      LYS  55  -6.061  -1.648   6.238
  385   2HD   LYS  55           HD2      LYS  55  -6.962  -3.155   6.407
  386   1HE   LYS  55           HE1      LYS  55  -4.231  -3.771   5.762
  387   2HE   LYS  55           HE2      LYS  55  -4.253  -2.649   7.122
  388   1HZ   LYS  55           HZ3      LYS  55  -6.259  -4.666   7.360
  389   2HZ   LYS  55           HZ1      LYS  55  -4.708  -5.340   7.238
  390   3HZ   LYS  55           HZ2      LYS  55  -5.048  -4.211   8.461
  391    H    CYS  56           HN       CYS  56  -7.122   0.574   3.946
  392    HA   CYS  56           HA       CYS  56  -6.405   2.671   1.944
  393   1HB   CYS  56           HB1      CYS  56  -7.960   3.895   3.928
  394   2HB   CYS  56           HB2      CYS  56  -8.500   3.432   2.321
  395    H    CYS  57           HN       CYS  57  -4.904   4.196   2.500
  396    HA   CYS  57           HA       CYS  57  -4.176   4.539   5.347
  397   1HB   CYS  57           HB1      CYS  57  -2.678   2.776   4.795
  398   2HB   CYS  57           HB2      CYS  57  -2.342   3.457   3.206
  399    H    SER  58           HN       SER  58  -3.285   6.566   5.749
  400    HA   SER  58           HA       SER  58  -2.619   8.235   3.401
  401   1HB   SER  58           HB1      SER  58  -4.689   9.185   3.604
  402   2HB   SER  58           HB2      SER  58  -4.877   8.648   5.272
  403    HG   SER  58           HG       SER  58  -4.186  10.497   5.917
  404    H    ALA  59           HN       ALA  59  -1.616   7.004   6.231
  405    HA   ALA  59           HA       ALA  59   0.480   9.020   6.486
  406   1HB   ALA  59           HB2      ALA  59  -1.634   8.753   8.637
  407   2HB   ALA  59           HB1      ALA  59  -0.059   9.498   8.914
  408   3HB   ALA  59           HB3      ALA  59  -1.180  10.212   7.755
  409    H    ASP  60           HN       ASP  60  -0.088   7.655   9.501
  410    HA   ASP  60           HA       ASP  60   1.897   5.527   8.950
  411   1HB   ASP  60           HB1      ASP  60   2.187   7.204  10.878
  412   2HB   ASP  60           HB2      ASP  60   0.834   6.381  11.656
  413    H    LYS  61           HN       LYS  61  -0.850   5.399   8.090
  414    HA   LYS  61           HA       LYS  61  -1.922   3.244   9.814
  415   1HB   LYS  61           HB1      LYS  61  -3.568   4.954   9.546
  416   2HB   LYS  61           HB2      LYS  61  -3.243   5.078   7.816
  417   1HG   LYS  61           HG1      LYS  61  -4.414   3.146   7.324
  418   2HG   LYS  61           HG2      LYS  61  -4.089   2.422   8.897
  419   1HD   LYS  61           HD1      LYS  61  -6.489   3.132   8.566
  420   2HD   LYS  61           HD2      LYS  61  -5.710   3.866   9.967
  421   1HE   LYS  61           HE1      LYS  61  -5.409   5.368   7.437
  422   2HE   LYS  61           HE2      LYS  61  -7.056   5.279   8.058
  423   1HZ   LYS  61           HZ1      LYS  61  -5.513   5.782  10.257
  424   2HZ   LYS  61           HZ2      LYS  61  -4.828   6.759   9.047
  425   3HZ   LYS  61           HZ3      LYS  61  -6.477   6.906   9.430
  426    H    CYS  62           HN       CYS  62  -0.009   3.604   7.220
  427    HA   CYS  62           HA       CYS  62  -1.147   1.866   5.263
  428   1HB   CYS  62           HB1      CYS  62   1.668   2.735   5.899
  429   2HB   CYS  62           HB2      CYS  62   1.341   1.574   4.616
  430    H    ASN  63           HN       ASN  63   0.474   1.265   8.284
  431    HA   ASN  63           HA       ASN  63   0.716  -1.619   7.617
  432   1HB   ASN  63           HB1      ASN  63   2.127  -1.788   9.601
  433   2HB   ASN  63           HB2      ASN  63   2.705  -0.463   8.591
  434   1HD2  ASN  63          HD22      ASN  63   1.454   0.305  12.347
  435   2HD2  ASN  63          HD21      ASN  63   1.608  -1.276  11.748
  436    H    THR  64           HN       THR  64  -0.591   0.550  10.133
  437    HA   THR  64           HA       THR  64  -2.368   0.230  11.634
  438    HB   THR  64           HB       THR  64  -3.681  -2.004  10.414
  439    HG1  THR  64           HG1      THR  64  -3.274   0.065   8.578
  440   1HG2  THR  64          HG21      THR  64  -4.085   0.809  11.129
  441   2HG2  THR  64          HG23      THR  64  -5.013   0.305   9.716
  442   3HG2  THR  64          HG22      THR  64  -5.201  -0.553  11.245
  443    H    TYR  65           HN       TYR  65  -0.935  -0.611  13.264
  444    HA   TYR  65           HA       TYR  65   0.229  -2.953  13.754
  445   1HB   TYR  65           HB1      TYR  65  -0.241  -1.065  15.411
  446   2HB   TYR  65           HB2      TYR  65  -1.737  -1.921  15.790
  447    HD1  TYR  65           HD1      TYR  65   1.957  -2.084  15.886
  448    HD2  TYR  65           HD2      TYR  65  -1.711  -4.041  16.974
  449    HE1  TYR  65           HE1      TYR  65   3.217  -3.615  17.376
  450    HE2  TYR  65           HE2      TYR  65  -0.451  -5.573  18.464
  451    HH   TYR  65           HH       TYR  65   2.848  -5.972  18.324
  452    HA   PRO  66           HA       PRO  66  -3.364  -5.647  12.913
  453   1HB   PRO  66           HB1      PRO  66  -1.859  -7.644  11.765
  454   2HB   PRO  66           HB2      PRO  66  -2.501  -6.256  10.869
  455   1HG   PRO  66           HG1      PRO  66   0.295  -6.803  11.783
  456   2HG   PRO  66           HG2      PRO  66  -0.264  -5.849  10.399
  457   1HD   PRO  66           HD1      PRO  66   0.634  -4.831  12.887
  458   2HD   PRO  66           HD2      PRO  66  -0.227  -3.915  11.632
   
  No H/Q in entry =         458
  Start of MODEL   10
    1   1H    ARG   1           HT1      ARG   1   3.551  15.222  -0.789
    2   2H    ARG   1           HT2      ARG   1   4.072  15.486  -2.385
    3   3H    ARG   1           HT3      ARG   1   2.439  15.714  -1.972
    4    HA   ARG   1           HA       ARG   1   2.131  13.676  -2.740
    5   1HB   ARG   1           HB1      ARG   1   3.849  12.440  -3.633
    6   2HB   ARG   1           HB2      ARG   1   4.730  13.941  -3.390
    7   1HG   ARG   1           HG1      ARG   1   4.642  11.679  -1.378
    8   2HG   ARG   1           HG2      ARG   1   5.954  11.945  -2.525
    9   1HD   ARG   1           HD1      ARG   1   5.805  14.416  -1.454
   10   2HD   ARG   1           HD2      ARG   1   5.230  13.476  -0.077
   11    HE   ARG   1           HE       ARG   1   7.476  12.099  -0.788
   12   1HH1  ARG   1          HH21      ARG   1   7.462  15.326  -1.573
   13   2HH1  ARG   1          HH22      ARG   1   8.759  15.786  -0.522
   14   1HH2  ARG   1          HH11      ARG   1   8.873  12.731   1.113
   15   2HH2  ARG   1          HH12      ARG   1   9.558  14.318   0.998
   16    H    GLU   2           HN       GLU   2   1.920  11.441  -1.845
   17    HA   GLU   2           HA       GLU   2   2.355  11.376   1.109
   18   1HB   GLU   2           HB1      GLU   2  -0.113  11.625  -0.058
   19   2HB   GLU   2           HB2      GLU   2   0.035   9.872   0.065
   20   1HG   GLU   2           HG1      GLU   2   0.443  10.013   2.444
   21   2HG   GLU   2           HG2      GLU   2   0.555  11.772   2.370
   22    H    CYS   3           HN       CYS   3   2.371   9.059   1.923
   23    HA   CYS   3           HA       CYS   3   2.892   6.777   1.703
   24   1HB   CYS   3           HB1      CYS   3   3.374   7.166  -1.244
   25   2HB   CYS   3           HB2      CYS   3   2.923   5.689  -0.394
   26    H    TYR   4           HN       TYR   4   4.713   9.023  -0.338
   27    HA   TYR   4           HA       TYR   4   7.030   9.227  -0.691
   28   1HB   TYR   4           HB1      TYR   4   8.085   9.011   1.855
   29   2HB   TYR   4           HB2      TYR   4   7.413  10.480   1.149
   30    HD1  TYR   4           HD2      TYR   4   4.865  10.882   1.424
   31    HD2  TYR   4           HD1      TYR   4   7.061   8.011   3.748
   32    HE1  TYR   4           HE2      TYR   4   3.054  10.869   3.119
   33    HE2  TYR   4           HE1      TYR   4   5.250   7.999   5.445
   34    HH   TYR   4           HH       TYR   4   2.427  10.149   5.127
   35    H    LEU   5           HN       LEU   5   7.506   7.161   2.138
   36    HA   LEU   5           HA       LEU   5   8.370   5.049   0.348
   37   1HB   LEU   5           HB1      LEU   5  10.044   5.738   2.677
   38   2HB   LEU   5           HB2      LEU   5  10.454   4.779   1.268
   39    HG   LEU   5           HG       LEU   5   9.826   7.123   0.069
   40   1HD1  LEU   5          HD12      LEU   5   9.628   7.934   2.613
   41   2HD1  LEU   5          HD11      LEU   5  11.369   8.133   2.417
   42   3HD1  LEU   5          HD13      LEU   5  10.258   8.992   1.351
   43   1HD2  LEU   5          HD23      LEU   5  12.307   5.824   1.002
   44   2HD2  LEU   5          HD21      LEU   5  11.885   6.422  -0.603
   45   3HD2  LEU   5          HD22      LEU   5  12.477   7.539   0.628
   46    H    ASN   6           HN       ASN   6   8.097   5.754   3.834
   47    HA   ASN   6           HA       ASN   6   7.289   4.376   5.555
   48   1HB   ASN   6           HB1      ASN   6   5.132   3.626   5.198
   49   2HB   ASN   6           HB2      ASN   6   5.290   4.655   3.780
   50   1HD2  ASN   6          HD22      ASN   6   4.718   1.950   1.608
   51   2HD2  ASN   6          HD21      ASN   6   4.598   3.617   1.907
   52    HA   PRO   7           HA       PRO   7   9.276   0.460   5.304
   53   1HB   PRO   7           HB1      PRO   7   7.683  -1.130   6.886
   54   2HB   PRO   7           HB2      PRO   7   8.761   0.124   7.521
   55   1HG   PRO   7           HG1      PRO   7   5.786   0.129   7.258
   56   2HG   PRO   7           HG2      PRO   7   6.810   1.032   8.386
   57   1HD   PRO   7           HD1      PRO   7   5.593   2.031   6.007
   58   2HD   PRO   7           HD2      PRO   7   6.808   2.864   7.001
   59    H    HIS   8           HN       HIS   8   8.124   0.573   2.888
   60    HA   HIS   8           HA       HIS   8   7.673  -2.018   2.016
   61   1HB   HIS   8           HB1      HIS   8   5.351  -0.951   3.435
   62   2HB   HIS   8           HB2      HIS   8   4.957  -1.463   1.794
   63    HD1  HIS   8           HD1      HIS   8   3.625  -3.392   3.254
   64    HD2  HIS   8           HD2      HIS   8   7.785  -3.636   3.148
   65    HE1  HIS   8           HE1      HIS   8   4.221  -5.750   3.946
   66    H    ASP   9           HN       ASP   9   8.817  -0.801   0.320
   67    HA   ASP   9           HA       ASP   9   8.930   0.564  -1.617
   68   1HB   ASP   9           HB1      ASP   9   6.733  -1.402  -1.805
   69   2HB   ASP   9           HB2      ASP   9   6.654  -0.099  -2.987
   70    H    THR  10           HN       THR  10   6.725   1.669  -3.141
   71    HA   THR  10           HA       THR  10   4.832   3.093  -1.783
   72    HB   THR  10           HB       THR  10   6.466   5.342  -2.025
   73    HG1  THR  10           HG1      THR  10   8.399   4.723  -1.585
   74   1HG2  THR  10          HG23      THR  10   5.730   3.721   0.430
   75   2HG2  THR  10          HG22      THR  10   6.343   5.362   0.462
   76   3HG2  THR  10          HG21      THR  10   4.791   5.029  -0.283
   77    H    GLN  11           HN       GLN  11   4.158   5.138  -3.049
   78    HA   GLN  11           HA       GLN  11   5.104   5.012  -5.836
   79   1HB   GLN  11           HB1      GLN  11   2.182   5.249  -5.130
   80   2HB   GLN  11           HB2      GLN  11   2.888   4.949  -6.718
   81   1HG   GLN  11           HG1      GLN  11   3.350   3.045  -4.423
   82   2HG   GLN  11           HG2      GLN  11   1.904   2.924  -5.427
   83   1HE2  GLN  11          HE21      GLN  11   2.752   3.343  -7.980
   84   2HE2  GLN  11          HE22      GLN  11   3.980   2.256  -8.420
   85    H    THR  12           HN       THR  12   4.316   6.917  -3.148
   86    HA   THR  12           HA       THR  12   4.162   9.228  -2.832
   87    HB   THR  12           HB       THR  12   5.545  10.582  -4.203
   88    HG1  THR  12           HG1      THR  12   4.702  10.151  -6.205
   89   1HG2  THR  12          HG23      THR  12   6.453   8.195  -3.187
   90   2HG2  THR  12          HG22      THR  12   7.024   8.128  -4.854
   91   3HG2  THR  12          HG21      THR  12   7.484   9.479  -3.817
   92    H    CYS  13           HN       CYS  13   2.807  10.962  -3.318
   93    HA   CYS  13           HA       CYS  13   1.134  10.839  -5.751
   94   1HB   CYS  13           HB1      CYS  13   0.015   9.432  -4.032
   95   2HB   CYS  13           HB2      CYS  13   0.024  10.809  -2.935
   96    HA   PRO  14           HA       PRO  14   2.244  15.061  -4.048
   97   1HB   PRO  14           HB1      PRO  14   3.721  15.848  -6.241
   98   2HB   PRO  14           HB2      PRO  14   4.414  15.066  -4.812
   99   1HG   PRO  14           HG1      PRO  14   3.858  13.931  -7.527
  100   2HG   PRO  14           HG2      PRO  14   5.100  13.466  -6.352
  101   1HD   PRO  14           HD1      PRO  14   2.672  12.094  -6.829
  102   2HD   PRO  14           HD2      PRO  14   3.725  11.872  -5.415
  103    H    SER  15           HN       SER  15   1.124  13.862  -7.169
  104    HA   SER  15           HA       SER  15  -0.680  16.228  -7.356
  105   1HB   SER  15           HB1      SER  15   0.856  15.010  -9.674
  106   2HB   SER  15           HB2      SER  15  -0.299  16.335  -9.786
  107    HG   SER  15           HG       SER  15   2.293  16.327  -8.821
  108    H    GLY  16           HN       GLY  16  -2.772  15.614  -7.711
  109   1HA   GLY  16           HA1      GLY  16  -4.224  14.111  -9.182
  110   2HA   GLY  16           HA2      GLY  16  -3.231  12.785  -8.575
  111    H    GLN  17           HN       GLN  17  -4.465  11.641  -7.151
  112    HA   GLN  17           HA       GLN  17  -6.640  12.807  -5.650
  113   1HB   GLN  17           HB1      GLN  17  -5.189  10.181  -5.200
  114   2HB   GLN  17           HB2      GLN  17  -6.766  10.618  -4.544
  115   1HG   GLN  17           HG1      GLN  17  -6.143  10.527  -7.510
  116   2HG   GLN  17           HG2      GLN  17  -6.869   9.187  -6.623
  117   1HE2  GLN  17          HE22      GLN  17  -9.533  11.473  -8.096
  118   2HE2  GLN  17          HE21      GLN  17  -8.163  10.743  -8.783
  119    H    GLU  18           HN       GLU  18  -6.299  11.776  -3.066
  120    HA   GLU  18           HA       GLU  18  -3.812  13.058  -2.054
  121   1HB   GLU  18           HB1      GLU  18  -6.442  13.616  -0.701
  122   2HB   GLU  18           HB2      GLU  18  -4.928  14.514  -0.589
  123   1HG   GLU  18           HG1      GLU  18  -5.364  14.812  -3.214
  124   2HG   GLU  18           HG2      GLU  18  -7.038  14.591  -2.704
  125    H    ILE  19           HN       ILE  19  -5.546  10.330  -2.171
  126    HA   ILE  19           HA       ILE  19  -5.199   9.644   0.712
  127    HB   ILE  19           HB       ILE  19  -6.522   7.941  -1.380
  128   1HG1  ILE  19          HG11      ILE  19  -7.357  10.533  -0.811
  129   2HG1  ILE  19          HG12      ILE  19  -8.366   9.261  -1.478
  130   1HG2  ILE  19          HG21      ILE  19  -6.608   8.143   1.630
  131   2HG2  ILE  19          HG22      ILE  19  -7.843   7.269   0.722
  132   3HG2  ILE  19          HG23      ILE  19  -6.157   6.756   0.637
  133   1HD1  ILE  19          HD13      ILE  19  -8.009   9.754   1.493
  134   2HD1  ILE  19          HD11      ILE  19  -9.353  10.387   0.542
  135   3HD1  ILE  19          HD12      ILE  19  -9.153   8.645   0.733
  136    H    CYS  20           HN       CYS  20  -4.234   7.578   1.192
  137    HA   CYS  20           HA       CYS  20  -2.345   6.617  -0.919
  138   1HB   CYS  20           HB1      CYS  20  -1.216   8.013   0.874
  139   2HB   CYS  20           HB2      CYS  20  -1.703   6.786   2.041
  140    H    TYR  21           HN       TYR  21  -2.918   4.517  -1.385
  141    HA   TYR  21           HA       TYR  21  -4.267   2.995   0.784
  142   1HB   TYR  21           HB1      TYR  21  -5.115   1.529  -0.863
  143   2HB   TYR  21           HB2      TYR  21  -5.203   3.117  -1.619
  144    HD1  TYR  21           HD2      TYR  21  -2.835   0.208  -1.278
  145    HD2  TYR  21           HD1      TYR  21  -4.316   3.397  -3.740
  146    HE1  TYR  21           HE2      TYR  21  -1.424  -0.589  -3.156
  147    HE2  TYR  21           HE1      TYR  21  -2.905   2.604  -5.621
  148    HH   TYR  21           HH       TYR  21  -1.365   1.146  -6.271
  149    H    VAL  22           HN       VAL  22  -3.563   0.742   1.151
  150    HA   VAL  22           HA       VAL  22  -0.658   0.418   0.547
  151    HB   VAL  22           HB       VAL  22  -0.253  -0.379   2.775
  152   1HG1  VAL  22          HG12      VAL  22  -0.392   2.091   2.550
  153   2HG1  VAL  22          HG13      VAL  22  -2.112   2.023   2.929
  154   3HG1  VAL  22          HG11      VAL  22  -0.922   1.567   4.147
  155   1HG2  VAL  22          HG23      VAL  22  -3.263  -0.382   2.970
  156   2HG2  VAL  22          HG22      VAL  22  -2.147  -1.721   3.244
  157   3HG2  VAL  22          HG21      VAL  22  -2.242  -0.399   4.407
  158    H    LYS  23           HN       LYS  23  -0.621  -1.234  -0.903
  159    HA   LYS  23           HA       LYS  23  -2.555  -3.467  -0.594
  160   1HB   LYS  23           HB1      LYS  23  -0.870  -2.403  -2.817
  161   2HB   LYS  23           HB2      LYS  23  -1.215  -4.134  -2.818
  162   1HG   LYS  23           HG1      LYS  23  -3.684  -3.168  -2.273
  163   2HG   LYS  23           HG2      LYS  23  -3.042  -1.837  -3.235
  164   1HD   LYS  23           HD1      LYS  23  -2.244  -3.771  -4.837
  165   2HD   LYS  23           HD2      LYS  23  -3.501  -4.701  -4.021
  166   1HE   LYS  23           HE1      LYS  23  -4.504  -3.690  -5.966
  167   2HE   LYS  23           HE2      LYS  23  -5.104  -2.818  -4.556
  168   1HZ   LYS  23           HZ1      LYS  23  -3.363  -1.151  -4.934
  169   2HZ   LYS  23           HZ2      LYS  23  -2.887  -1.973  -6.342
  170   3HZ   LYS  23           HZ3      LYS  23  -4.430  -1.268  -6.246
  171    H    SER  24           HN       SER  24  -1.893  -5.518   0.005
  172    HA   SER  24           HA       SER  24   1.042  -5.932   0.260
  173   1HB   SER  24           HB1      SER  24  -1.063  -6.124   2.372
  174   2HB   SER  24           HB2      SER  24   0.263  -7.282   2.419
  175    HG   SER  24           HG       SER  24   1.462  -5.770   3.183
  176    H    TRP  25           HN       TRP  25   1.280  -7.442  -1.335
  177    HA   TRP  25           HA       TRP  25  -0.287  -9.973  -0.999
  178   1HB   TRP  25           HB1      TRP  25  -0.320 -10.230  -3.430
  179   2HB   TRP  25           HB2      TRP  25  -1.042  -8.680  -2.992
  180    HD1  TRP  25           HD1      TRP  25   1.798 -10.169  -4.925
  181    HE1  TRP  25           HE1      TRP  25   3.189  -8.261  -5.974
  182    HE3  TRP  25           HE3      TRP  25  -0.183  -6.262  -2.417
  183    HZ2  TRP  25           HZ2      TRP  25   3.422  -5.391  -5.721
  184    HZ3  TRP  25           HZ3      TRP  25   0.619  -3.992  -2.778
  185    HH2  TRP  25           HH2      TRP  25   2.417  -3.514  -4.431
  186    H    CYS  26           HN       CYS  26   0.896 -11.899  -1.518
  187    HA   CYS  26           HA       CYS  26   3.800 -11.602  -2.088
  188   1HB   CYS  26           HB1      CYS  26   4.016 -11.684   0.222
  189   2HB   CYS  26           HB2      CYS  26   2.556 -12.635   0.437
  190    H    ASN  27           HN       ASN  27   4.760 -13.755  -2.656
  191    HA   ASN  27           HA       ASN  27   2.677 -15.598  -3.763
  192   1HB   ASN  27           HB1      ASN  27   5.497 -15.214  -4.811
  193   2HB   ASN  27           HB2      ASN  27   4.181 -16.102  -5.580
  194   1HD2  ASN  27          HD22      ASN  27   4.566 -12.234  -6.415
  195   2HD2  ASN  27          HD21      ASN  27   5.798 -13.205  -5.768
  196    H    ALA  28           HN       ALA  28   4.561 -17.680  -4.405
  197    HA   ALA  28           HA       ALA  28   4.963 -18.737  -1.681
  198   1HB   ALA  28           HB2      ALA  28   5.109 -19.961  -4.439
  199   2HB   ALA  28           HB1      ALA  28   5.634 -20.837  -3.001
  200   3HB   ALA  28           HB3      ALA  28   3.956 -20.315  -3.151
  201    H    TRP  29           HN       TRP  29   6.690 -16.596  -2.920
  202    HA   TRP  29           HA       TRP  29   9.300 -18.029  -2.697
  203   1HB   TRP  29           HB1      TRP  29   8.737 -15.539  -4.275
  204   2HB   TRP  29           HB2      TRP  29  10.210 -16.484  -4.269
  205    HD1  TRP  29           HD1      TRP  29   6.449 -17.391  -4.810
  206    HE1  TRP  29           HE1      TRP  29   6.346 -18.935  -6.883
  207    HE3  TRP  29           HE3      TRP  29  11.357 -17.553  -5.951
  208    HZ2  TRP  29           HZ2      TRP  29   8.170 -20.096  -8.794
  209    HZ3  TRP  29           HZ3      TRP  29  12.201 -18.876  -7.898
  210    HH2  TRP  29           HH2      TRP  29  10.603 -20.149  -9.315
  211    H    CYS  30           HN       CYS  30   7.324 -15.807  -1.100
  212    HA   CYS  30           HA       CYS  30   9.278 -13.870  -0.286
  213   1HB   CYS  30           HB1      CYS  30   6.848 -14.659   1.309
  214   2HB   CYS  30           HB2      CYS  30   7.642 -13.095   1.220
  215    H    SER  31           HN       SER  31   9.652 -17.025   0.259
  216    HA   SER  31           HA       SER  31   9.736 -17.578   2.958
  217   1HB   SER  31           HB1      SER  31  11.048 -19.330   2.362
  218   2HB   SER  31           HB2      SER  31  10.815 -18.751   0.717
  219    HG   SER  31           HG       SER  31  13.019 -18.492   2.390
  220    H    SER  32           HN       SER  32  10.121 -15.820   4.279
  221    HA   SER  32           HA       SER  32  11.284 -13.987   5.205
  222   1HB   SER  32           HB1      SER  32  13.673 -15.787   5.067
  223   2HB   SER  32           HB2      SER  32  13.179 -14.700   6.361
  224    HG   SER  32           HG       SER  32  11.206 -16.201   6.332
  225    H    ARG  33           HN       ARG  33  11.137 -12.936   3.082
  226    HA   ARG  33           HA       ARG  33  13.865 -12.166   2.200
  227   1HB   ARG  33           HB1      ARG  33  13.065 -13.894   0.599
  228   2HB   ARG  33           HB2      ARG  33  11.662 -12.887   0.242
  229   1HG   ARG  33           HG1      ARG  33  13.085 -11.116  -0.610
  230   2HG   ARG  33           HG2      ARG  33  14.535 -11.971  -0.085
  231   1HD   ARG  33           HD1      ARG  33  13.565 -13.901  -1.609
  232   2HD   ARG  33           HD2      ARG  33  12.702 -12.572  -2.381
  233    HE   ARG  33           HE       ARG  33  14.748 -12.189  -3.475
  234   1HH1  ARG  33          HH11      ARG  33  16.287 -10.535  -2.098
  235   2HH1  ARG  33          HH12      ARG  33  17.537 -11.437  -1.309
  236   1HH2  ARG  33          HH21      ARG  33  15.911 -14.483  -1.634
  237   2HH2  ARG  33          HH22      ARG  33  17.324 -13.672  -1.046
  238    H    GLY  34           HN       GLY  34  10.725 -11.383   0.724
  239   1HA   GLY  34           HA1      GLY  34  10.198  -8.974   2.097
  240   2HA   GLY  34           HA2      GLY  34  11.260  -8.571   0.747
  241    H    LYS  35           HN       LYS  35   8.115  -9.890   1.624
  242    HA   LYS  35           HA       LYS  35   7.004 -10.578  -0.835
  243   1HB   LYS  35           HB1      LYS  35   5.567  -8.846   1.190
  244   2HB   LYS  35           HB2      LYS  35   4.861 -10.033   0.093
  245   1HG   LYS  35           HG1      LYS  35   5.197 -11.670   1.615
  246   2HG   LYS  35           HG2      LYS  35   6.916 -11.297   1.671
  247   1HD   LYS  35           HD1      LYS  35   6.174  -9.296   3.180
  248   2HD   LYS  35           HD2      LYS  35   4.686 -10.221   3.384
  249   1HE   LYS  35           HE1      LYS  35   7.024 -11.921   3.678
  250   2HE   LYS  35           HE2      LYS  35   7.085 -10.565   4.804
  251   1HZ   LYS  35           HZ1      LYS  35   4.469 -11.488   4.790
  252   2HZ   LYS  35           HZ2      LYS  35   5.457 -12.865   4.898
  253   3HZ   LYS  35           HZ3      LYS  35   5.605 -11.619   6.043
  254    H    VAL  36           HN       VAL  36   5.370  -9.134  -2.092
  255    HA   VAL  36           HA       VAL  36   6.791  -6.618  -2.812
  256    HB   VAL  36           HB       VAL  36   4.417  -7.442  -4.379
  257   1HG1  VAL  36          HG13      VAL  36   6.228  -5.639  -4.857
  258   2HG1  VAL  36          HG12      VAL  36   7.232  -6.998  -5.359
  259   3HG1  VAL  36          HG11      VAL  36   5.710  -6.673  -6.188
  260   1HG2  VAL  36          HG21      VAL  36   6.745  -9.264  -3.914
  261   2HG2  VAL  36          HG23      VAL  36   5.057  -9.662  -4.233
  262   3HG2  VAL  36          HG22      VAL  36   6.105  -9.144  -5.553
  263    H    LEU  37           HN       LEU  37   5.864  -5.804  -0.661
  264    HA   LEU  37           HA       LEU  37   3.005  -5.045  -0.894
  265   1HB   LEU  37           HB1      LEU  37   4.951  -5.324   1.389
  266   2HB   LEU  37           HB2      LEU  37   3.408  -4.510   1.581
  267    HG   LEU  37           HG       LEU  37   2.221  -6.468   1.482
  268   1HD1  LEU  37          HD13      LEU  37   2.931  -6.876  -0.915
  269   2HD1  LEU  37          HD12      LEU  37   4.319  -7.758  -0.286
  270   3HD1  LEU  37          HD11      LEU  37   2.686  -8.343   0.027
  271   1HD2  LEU  37          HD22      LEU  37   4.957  -7.036   2.424
  272   2HD2  LEU  37          HD21      LEU  37   3.410  -7.268   3.239
  273   3HD2  LEU  37          HD23      LEU  37   3.969  -8.451   2.058
  274    H    GLU  38           HN       GLU  38   2.920  -3.101  -1.976
  275    HA   GLU  38           HA       GLU  38   4.617  -0.893  -0.887
  276   1HB   GLU  38           HB1      GLU  38   4.814   0.047  -3.113
  277   2HB   GLU  38           HB2      GLU  38   5.341  -1.635  -3.178
  278   1HG   GLU  38           HG1      GLU  38   2.627  -1.836  -3.650
  279   2HG   GLU  38           HG2      GLU  38   3.047  -0.334  -4.474
  280    H    PHE  39           HN       PHE  39   3.603   1.203  -0.920
  281    HA   PHE  39           HA       PHE  39   0.645   1.083  -1.142
  282   1HB   PHE  39           HB1      PHE  39   2.156   3.010   0.617
  283   2HB   PHE  39           HB2      PHE  39   0.460   2.534   0.725
  284    HD1  PHE  39           HD1      PHE  39   0.953  -0.466   0.227
  285    HD2  PHE  39           HD2      PHE  39   2.805   2.370   2.871
  286    HE1  PHE  39           HE1      PHE  39   1.573  -2.309   1.765
  287    HE2  PHE  39           HE2      PHE  39   3.424   0.524   4.413
  288    HZ   PHE  39           HZ       PHE  39   2.809  -1.818   3.857
  289    H    GLY  40           HN       GLY  40  -0.363   2.772  -2.302
  290   1HA   GLY  40           HA1      GLY  40   1.478   4.833  -3.446
  291   2HA   GLY  40           HA2      GLY  40   0.349   3.959  -4.481
  292    H    CYS  41           HN       CYS  41  -0.860   5.806  -5.074
  293    HA   CYS  41           HA       CYS  41  -2.106   7.406  -2.921
  294   1HB   CYS  41           HB1      CYS  41  -1.024   8.340  -5.098
  295   2HB   CYS  41           HB2      CYS  41  -2.507   7.831  -5.874
  296    H    ALA  42           HN       ALA  42  -4.460   7.984  -3.565
  297    HA   ALA  42           HA       ALA  42  -6.105   6.159  -4.999
  298   1HB   ALA  42           HB3      ALA  42  -5.148   5.097  -2.557
  299   2HB   ALA  42           HB2      ALA  42  -6.841   5.513  -2.290
  300   3HB   ALA  42           HB1      ALA  42  -6.398   4.422  -3.603
  301    H    ALA  43           HN       ALA  43  -8.448   6.240  -3.910
  302    HA   ALA  43           HA       ALA  43  -8.930   9.099  -3.255
  303   1HB   ALA  43           HB3      ALA  43 -10.590   7.054  -4.731
  304   2HB   ALA  43           HB2      ALA  43 -11.265   8.577  -4.151
  305   3HB   ALA  43           HB1      ALA  43  -9.963   8.585  -5.341
  306    H    THR  44           HN       THR  44 -10.033   5.773  -2.520
  307    HA   THR  44           HA       THR  44 -10.676   6.699   0.215
  308    HB   THR  44           HB       THR  44 -12.809   7.021  -0.800
  309    HG1  THR  44           HG1      THR  44 -13.959   5.644   0.396
  310   1HG2  THR  44          HG23      THR  44 -11.878   5.091  -2.631
  311   2HG2  THR  44          HG22      THR  44 -13.324   4.398  -1.897
  312   3HG2  THR  44          HG21      THR  44 -13.406   5.968  -2.695
  313    H    CYS  45           HN       CYS  45 -10.888   4.929   1.719
  314    HA   CYS  45           HA       CYS  45  -9.060   2.980   1.718
  315   1HB   CYS  45           HB1      CYS  45 -10.619   3.519   3.576
  316   2HB   CYS  45           HB2      CYS  45 -11.859   2.576   2.753
  317    HA   PRO  46           HA       PRO  46 -10.595   0.421  -1.691
  318   1HB   PRO  46           HB1      PRO  46  -8.191  -0.873  -2.082
  319   2HB   PRO  46           HB2      PRO  46  -8.615   0.686  -2.809
  320   1HG   PRO  46           HG1      PRO  46  -6.740   0.091  -0.578
  321   2HG   PRO  46           HG2      PRO  46  -6.789   1.488  -1.659
  322   1HD   PRO  46           HD1      PRO  46  -7.731   1.367   1.031
  323   2HD   PRO  46           HD2      PRO  46  -7.954   2.702  -0.118
  324    H    SER  47           HN       SER  47 -10.098  -2.157  -2.050
  325    HA   SER  47           HA       SER  47 -10.251  -3.457   0.640
  326   1HB   SER  47           HB1      SER  47 -11.877  -4.417  -1.708
  327   2HB   SER  47           HB2      SER  47 -12.128  -4.731   0.007
  328    HG   SER  47           HG       SER  47 -13.459  -3.038  -1.162
  329    H    VAL  48           HN       VAL  48 -10.744  -6.064  -0.814
  330    HA   VAL  48           HA       VAL  48  -7.898  -6.557  -1.476
  331    HB   VAL  48           HB       VAL  48 -10.154  -8.344  -0.690
  332   1HG1  VAL  48          HG11      VAL  48  -7.800  -8.966  -2.301
  333   2HG1  VAL  48          HG13      VAL  48  -7.881  -9.929  -0.826
  334   3HG1  VAL  48          HG12      VAL  48  -9.220  -9.958  -1.974
  335   1HG2  VAL  48          HG23      VAL  48  -8.000  -7.038   0.660
  336   2HG2  VAL  48          HG22      VAL  48  -9.232  -8.097   1.346
  337   3HG2  VAL  48          HG21      VAL  48  -7.726  -8.779   0.730
  338    H    ASN  49           HN       ASN  49  -7.611  -6.088  -3.629
  339    HA   ASN  49           HA       ASN  49  -9.619  -6.776  -5.598
  340   1HB   ASN  49           HB1      ASN  49  -8.280  -4.749  -5.880
  341   2HB   ASN  49           HB2      ASN  49  -6.802  -5.713  -5.902
  342   1HD2  ASN  49          HD22      ASN  49  -9.140  -6.771  -9.058
  343   2HD2  ASN  49          HD21      ASN  49  -9.667  -7.011  -7.463
  344    H    THR  50           HN       THR  50  -6.446  -7.396  -6.739
  345    HA   THR  50           HA       THR  50  -7.109 -10.121  -7.417
  346    HB   THR  50           HB       THR  50  -5.583  -8.757  -8.792
  347    HG1  THR  50           HG1      THR  50  -5.393 -11.107  -8.601
  348   1HG2  THR  50          HG22      THR  50  -4.510  -7.978  -6.384
  349   2HG2  THR  50          HG21      THR  50  -3.286  -9.097  -6.986
  350   3HG2  THR  50          HG23      THR  50  -3.760  -7.700  -7.955
  351    H    GLY  51           HN       GLY  51  -7.577 -11.048  -5.293
  352   1HA   GLY  51           HA1      GLY  51  -6.994 -12.036  -3.222
  353   2HA   GLY  51           HA2      GLY  51  -5.699 -12.720  -4.204
  354    H    THR  52           HN       THR  52  -5.930  -9.266  -3.642
  355    HA   THR  52           HA       THR  52  -3.458  -9.469  -1.972
  356    HB   THR  52           HB       THR  52  -4.469  -7.307  -3.836
  357    HG1  THR  52           HG1      THR  52  -3.189  -8.487  -5.018
  358   1HG2  THR  52          HG22      THR  52  -2.607  -7.155  -1.517
  359   2HG2  THR  52          HG21      THR  52  -2.117  -6.319  -2.990
  360   3HG2  THR  52          HG23      THR  52  -3.643  -5.908  -2.210
  361    H    GLU  53           HN       GLU  53  -3.380  -8.244  -0.023
  362    HA   GLU  53           HA       GLU  53  -6.062  -7.449   0.964
  363   1HB   GLU  53           HB1      GLU  53  -5.059  -7.571   3.202
  364   2HB   GLU  53           HB2      GLU  53  -4.761  -9.067   2.316
  365   1HG   GLU  53           HG1      GLU  53  -2.562  -8.772   2.706
  366   2HG   GLU  53           HG2      GLU  53  -2.622  -7.354   1.658
  367    H    ILE  54           HN       ILE  54  -6.494  -5.311   0.614
  368    HA   ILE  54           HA       ILE  54  -4.226  -3.399   0.786
  369    HB   ILE  54           HB       ILE  54  -6.060  -3.548  -1.162
  370   1HG1  ILE  54          HG11      ILE  54  -5.183  -0.862  -0.103
  371   2HG1  ILE  54          HG12      ILE  54  -4.059  -1.990  -0.860
  372   1HG2  ILE  54          HG21      ILE  54  -7.793  -2.961   0.761
  373   2HG2  ILE  54          HG22      ILE  54  -7.264  -1.325   0.392
  374   3HG2  ILE  54          HG23      ILE  54  -7.974  -2.312  -0.871
  375   1HD1  ILE  54          HD12      ILE  54  -6.522  -1.611  -2.409
  376   2HD1  ILE  54          HD13      ILE  54  -5.599  -0.122  -2.204
  377   3HD1  ILE  54          HD11      ILE  54  -4.844  -1.533  -2.938
  378    H    LYS  55           HN       LYS  55  -4.917  -1.203   1.758
  379    HA   LYS  55           HA       LYS  55  -6.875  -1.430   3.938
  380   1HB   LYS  55           HB1      LYS  55  -5.351  -2.012   5.497
  381   2HB   LYS  55           HB2      LYS  55  -4.043  -1.880   4.335
  382   1HG   LYS  55           HG1      LYS  55  -3.367  -0.296   5.866
  383   2HG   LYS  55           HG2      LYS  55  -4.328   0.731   4.814
  384   1HD   LYS  55           HD1      LYS  55  -5.455   1.294   6.703
  385   2HD   LYS  55           HD2      LYS  55  -6.213  -0.294   6.565
  386   1HE   LYS  55           HE1      LYS  55  -5.085  -1.087   8.361
  387   2HE   LYS  55           HE2      LYS  55  -3.557  -0.419   7.788
  388   1HZ   LYS  55           HZ3      LYS  55  -4.946   1.783   8.500
  389   2HZ   LYS  55           HZ1      LYS  55  -5.439   0.663   9.674
  390   3HZ   LYS  55           HZ2      LYS  55  -3.787   1.004   9.469
  391    H    CYS  56           HN       CYS  56  -6.904   0.779   5.141
  392    HA   CYS  56           HA       CYS  56  -6.660   2.889   3.056
  393   1HB   CYS  56           HB1      CYS  56  -7.899   3.879   5.457
  394   2HB   CYS  56           HB2      CYS  56  -8.611   3.693   3.860
  395    H    CYS  57           HN       CYS  57  -4.735   3.889   3.149
  396    HA   CYS  57           HA       CYS  57  -3.626   4.547   5.848
  397   1HB   CYS  57           HB1      CYS  57  -2.307   2.837   4.661
  398   2HB   CYS  57           HB2      CYS  57  -2.145   3.917   3.280
  399    H    SER  58           HN       SER  58  -2.690   6.606   6.085
  400    HA   SER  58           HA       SER  58  -2.854   8.411   3.753
  401   1HB   SER  58           HB1      SER  58  -4.943   8.568   5.240
  402   2HB   SER  58           HB2      SER  58  -3.881   9.290   6.445
  403    HG   SER  58           HG       SER  58  -3.232  10.629   4.441
  404    H    ALA  59           HN       ALA  59  -1.121   7.256   6.342
  405    HA   ALA  59           HA       ALA  59   1.014   9.163   5.844
  406   1HB   ALA  59           HB2      ALA  59  -0.411   9.242   8.519
  407   2HB   ALA  59           HB1      ALA  59   1.122  10.041   8.173
  408   3HB   ALA  59           HB3      ALA  59  -0.346  10.546   7.334
  409    H    ASP  60           HN       ASP  60   1.162   8.192   9.054
  410    HA   ASP  60           HA       ASP  60   2.863   5.875   8.319
  411   1HB   ASP  60           HB1      ASP  60   3.809   7.659   9.827
  412   2HB   ASP  60           HB2      ASP  60   2.558   7.263  11.006
  413    H    LYS  61           HN       LYS  61   0.002   5.844   8.162
  414    HA   LYS  61           HA       LYS  61  -0.732   4.047  10.397
  415   1HB   LYS  61           HB1      LYS  61  -2.299   5.838  10.258
  416   2HB   LYS  61           HB2      LYS  61  -2.384   5.713   8.501
  417   1HG   LYS  61           HG1      LYS  61  -3.674   3.760   8.579
  418   2HG   LYS  61           HG2      LYS  61  -3.150   3.363  10.216
  419   1HD   LYS  61           HD1      LYS  61  -4.351   5.728  10.703
  420   2HD   LYS  61           HD2      LYS  61  -5.290   5.219   9.299
  421   1HE   LYS  61           HE1      LYS  61  -5.806   3.085  10.402
  422   2HE   LYS  61           HE2      LYS  61  -4.824   3.550  11.791
  423   1HZ   LYS  61           HZ1      LYS  61  -7.143   5.128  10.836
  424   2HZ   LYS  61           HZ2      LYS  61  -7.261   3.937  12.041
  425   3HZ   LYS  61           HZ3      LYS  61  -6.297   5.314  12.293
  426    H    CYS  62           HN       CYS  62   0.447   3.918   7.341
  427    HA   CYS  62           HA       CYS  62  -1.151   2.120   5.904
  428   1HB   CYS  62           HB1      CYS  62   1.863   2.316   6.117
  429   2HB   CYS  62           HB2      CYS  62   1.049   1.268   4.959
  430    H    ASN  63           HN       ASN  63   1.341   1.352   8.347
  431    HA   ASN  63           HA       ASN  63   0.139  -1.369   8.537
  432   1HB   ASN  63           HB1      ASN  63   2.391  -2.018   9.502
  433   2HB   ASN  63           HB2      ASN  63   2.422  -1.559   7.800
  434   1HD2  ASN  63          HD22      ASN  63   4.372   0.724  10.558
  435   2HD2  ASN  63          HD21      ASN  63   3.427  -0.602  11.042
  436    H    THR  64           HN       THR  64  -1.410  -0.752  10.141
  437    HA   THR  64           HA       THR  64  -0.266  -0.552  12.852
  438    HB   THR  64           HB       THR  64  -2.346   1.386  12.779
  439    HG1  THR  64           HG1      THR  64  -1.674   1.469  10.515
  440   1HG2  THR  64          HG21      THR  64   0.475   1.062  13.535
  441   2HG2  THR  64          HG23      THR  64   0.022   2.721  13.141
  442   3HG2  THR  64          HG22      THR  64  -0.842   1.848  14.407
  443    H    TYR  65           HN       TYR  65  -1.803  -1.158  14.476
  444    HA   TYR  65           HA       TYR  65  -3.447  -2.710  15.170
  445   1HB   TYR  65           HB1      TYR  65  -4.655  -0.735  15.526
  446   2HB   TYR  65           HB2      TYR  65  -4.781  -0.395  13.806
  447    HD1  TYR  65           HD1      TYR  65  -5.398  -3.712  15.342
  448    HD2  TYR  65           HD2      TYR  65  -7.188  -0.172  13.689
  449    HE1  TYR  65           HE1      TYR  65  -7.603  -4.850  15.290
  450    HE2  TYR  65           HE2      TYR  65  -9.393  -1.310  13.637
  451    HH   TYR  65           HH       TYR  65 -10.413  -3.407  15.123
  452    HA   PRO  66           HA       PRO  66  -3.831  -4.872  11.114
  453   1HB   PRO  66           HB1      PRO  66  -2.548  -7.155  11.964
  454   2HB   PRO  66           HB2      PRO  66  -1.716  -5.772  11.233
  455   1HG   PRO  66           HG1      PRO  66  -1.824  -6.635  14.097
  456   2HG   PRO  66           HG2      PRO  66  -0.561  -5.727  13.248
  457   1HD   PRO  66           HD1      PRO  66  -2.539  -4.644  14.974
  458   2HD   PRO  66           HD2      PRO  66  -1.485  -3.720  13.883
   
  No H/Q in entry =         458
  Start of MODEL   11
    1   1H    ARG   1           HT1      ARG   1   1.330  14.659  -1.643
    2   2H    ARG   1           HT2      ARG   1   2.553  14.999  -2.770
    3   3H    ARG   1           HT3      ARG   1   1.492  13.699  -3.031
    4    HA   ARG   1           HA       ARG   1   3.116  12.455  -2.170
    5   1HB   ARG   1           HB1      ARG   1   4.137  15.114  -1.539
    6   2HB   ARG   1           HB2      ARG   1   4.562  13.924  -0.307
    7   1HG   ARG   1           HG1      ARG   1   5.797  12.634  -1.795
    8   2HG   ARG   1           HG2      ARG   1   4.880  13.187  -3.197
    9   1HD   ARG   1           HD1      ARG   1   5.958  15.536  -2.371
   10   2HD   ARG   1           HD2      ARG   1   7.220  14.420  -1.851
   11    HE   ARG   1           HE       ARG   1   6.655  13.658  -4.467
   12   1HH1  ARG   1          HH11      ARG   1   7.863  16.364  -2.714
   13   2HH1  ARG   1          HH12      ARG   1   8.598  17.103  -4.096
   14   1HH2  ARG   1          HH21      ARG   1   7.479  14.689  -6.319
   15   2HH2  ARG   1          HH22      ARG   1   8.381  16.157  -6.135
   16    H    GLU   2           HN       GLU   2   1.594  11.245  -0.965
   17    HA   GLU   2           HA       GLU   2   1.481  11.943   1.920
   18   1HB   GLU   2           HB1      GLU   2  -0.663  12.499   0.547
   19   2HB   GLU   2           HB2      GLU   2  -0.902  10.752   0.512
   20   1HG   GLU   2           HG1      GLU   2  -1.824  10.914   2.563
   21   2HG   GLU   2           HG2      GLU   2  -0.236  11.372   3.178
   22    H    CYS   3           HN       CYS   3   3.317  10.161   1.075
   23    HA   CYS   3           HA       CYS   3   2.332   7.660   2.241
   24   1HB   CYS   3           HB1      CYS   3   3.673   7.610  -0.474
   25   2HB   CYS   3           HB2      CYS   3   3.011   6.240   0.415
   26    H    TYR   4           HN       TYR   4   5.143   8.850   0.415
   27    HA   TYR   4           HA       TYR   4   7.455   8.170   0.939
   28   1HB   TYR   4           HB1      TYR   4   7.922   9.986   2.880
   29   2HB   TYR   4           HB2      TYR   4   7.712  10.421   1.186
   30    HD1  TYR   4           HD2      TYR   4   5.354   9.442   3.952
   31    HD2  TYR   4           HD1      TYR   4   6.386  12.354   0.967
   32    HE1  TYR   4           HE2      TYR   4   3.354  10.774   4.564
   33    HE2  TYR   4           HE1      TYR   4   4.386  13.690   1.580
   34    HH   TYR   4           HH       TYR   4   1.974  12.461   3.824
   35    H    LEU   5           HN       LEU   5   6.325   6.074   2.212
   36    HA   LEU   5           HA       LEU   5   7.658   6.123   4.782
   37   1HB   LEU   5           HB1      LEU   5   4.774   5.673   4.315
   38   2HB   LEU   5           HB2      LEU   5   5.555   4.995   5.728
   39    HG   LEU   5           HG       LEU   5   5.771   7.920   4.943
   40   1HD1  LEU   5          HD13      LEU   5   3.819   6.592   6.857
   41   2HD1  LEU   5          HD12      LEU   5   4.062   8.332   6.714
   42   3HD1  LEU   5          HD11      LEU   5   3.410   7.419   5.353
   43   1HD2  LEU   5          HD23      LEU   5   7.036   6.267   6.897
   44   2HD2  LEU   5          HD21      LEU   5   7.203   8.008   6.681
   45   3HD2  LEU   5          HD22      LEU   5   5.960   7.369   7.756
   46    H    ASN   6           HN       ASN   6   5.315   3.847   3.508
   47    HA   ASN   6           HA       ASN   6   6.005   1.420   4.067
   48   1HB   ASN   6           HB1      ASN   6   4.649   2.175   2.018
   49   2HB   ASN   6           HB2      ASN   6   6.160   2.021   1.119
   50   1HD2  ASN   6          HD22      ASN   6   5.496  -1.393   0.673
   51   2HD2  ASN   6          HD21      ASN   6   5.947   0.088  -0.017
   52    HA   PRO   7           HA       PRO   7  10.405   0.999   3.696
   53   1HB   PRO   7           HB1      PRO   7  10.493  -1.661   4.417
   54   2HB   PRO   7           HB2      PRO   7  10.354  -0.325   5.572
   55   1HG   PRO   7           HG1      PRO   7   8.259  -2.237   4.608
   56   2HG   PRO   7           HG2      PRO   7   8.382  -1.404   6.167
   57   1HD   PRO   7           HD1      PRO   7   6.694  -0.665   4.031
   58   2HD   PRO   7           HD2      PRO   7   7.125   0.373   5.405
   59    H    HIS   8           HN       HIS   8   8.033  -0.362   1.742
   60    HA   HIS   8           HA       HIS   8  10.005  -1.838   0.073
   61   1HB   HIS   8           HB1      HIS   8   7.026  -1.651  -0.369
   62   2HB   HIS   8           HB2      HIS   8   8.137  -2.838  -1.043
   63    HD1  HIS   8           HD1      HIS   8   5.544  -3.201   0.987
   64    HD2  HIS   8           HD2      HIS   8   9.586  -3.730   1.842
   65    HE1  HIS   8           HE1      HIS   8   5.644  -4.818   2.922
   66    H    ASP   9           HN       ASP   9  10.273   0.930   0.166
   67    HA   ASP   9           HA       ASP   9  10.772   2.569  -1.467
   68   1HB   ASP   9           HB1      ASP   9   8.926   1.178  -3.402
   69   2HB   ASP   9           HB2      ASP   9  10.305   2.222  -3.750
   70    H    THR  10           HN       THR  10   7.388   1.432  -1.197
   71    HA   THR  10           HA       THR  10   5.425   2.695  -0.879
   72    HB   THR  10           HB       THR  10   6.929   5.243  -0.504
   73    HG1  THR  10           HG1      THR  10   7.883   4.587   1.344
   74   1HG2  THR  10          HG23      THR  10   4.404   4.279   0.150
   75   2HG2  THR  10          HG22      THR  10   5.272   4.222   1.684
   76   3HG2  THR  10          HG21      THR  10   5.145   5.742   0.797
   77    H    GLN  11           HN       GLN  11   4.534   5.033  -1.756
   78    HA   GLN  11           HA       GLN  11   5.747   5.879  -4.237
   79   1HB   GLN  11           HB1      GLN  11   4.762   3.921  -5.176
   80   2HB   GLN  11           HB2      GLN  11   3.267   4.160  -4.275
   81   1HG   GLN  11           HG1      GLN  11   2.436   5.437  -5.935
   82   2HG   GLN  11           HG2      GLN  11   3.828   6.516  -5.835
   83   1HE2  GLN  11          HE22      GLN  11   5.644   4.720  -8.418
   84   2HE2  GLN  11          HE21      GLN  11   5.901   5.530  -6.948
   85    H    THR  12           HN       THR  12   5.562   7.831  -2.942
   86    HA   THR  12           HA       THR  12   3.403   9.007  -1.781
   87    HB   THR  12           HB       THR  12   4.386  11.128  -2.231
   88    HG1  THR  12           HG1      THR  12   4.951  11.545  -4.189
   89   1HG2  THR  12          HG21      THR  12   5.911   8.943  -1.417
   90   2HG2  THR  12          HG23      THR  12   6.924   9.751  -2.615
   91   3HG2  THR  12          HG22      THR  12   6.336  10.642  -1.210
   92    H    CYS  13           HN       CYS  13   1.916  10.722  -2.621
   93    HA   CYS  13           HA       CYS  13   0.899  10.070  -5.354
   94   1HB   CYS  13           HB1      CYS  13  -0.670   9.233  -3.675
   95   2HB   CYS  13           HB2      CYS  13  -0.640  10.780  -2.837
   96    HA   PRO  14           HA       PRO  14   1.843  14.592  -5.022
   97   1HB   PRO  14           HB1      PRO  14   3.505  14.673  -7.214
   98   2HB   PRO  14           HB2      PRO  14   4.067  14.353  -5.566
   99   1HG   PRO  14           HG1      PRO  14   3.718  12.463  -7.856
  100   2HG   PRO  14           HG2      PRO  14   4.815  12.351  -6.471
  101   1HD   PRO  14           HD1      PRO  14   2.351  10.963  -6.799
  102   2HD   PRO  14           HD2      PRO  14   3.308  11.070  -5.307
  103    H    SER  15           HN       SER  15  -0.445  13.186  -6.321
  104    HA   SER  15           HA       SER  15  -0.652  14.787  -8.837
  105   1HB   SER  15           HB1      SER  15  -0.836  12.191  -8.875
  106   2HB   SER  15           HB2      SER  15  -2.427  12.449  -8.167
  107    HG   SER  15           HG       SER  15  -1.464  13.518 -10.603
  108    H    GLY  16           HN       GLY  16  -3.445  14.614  -9.113
  109   1HA   GLY  16           HA1      GLY  16  -4.304  16.756  -7.400
  110   2HA   GLY  16           HA2      GLY  16  -5.351  15.831  -8.478
  111    H    GLN  17           HN       GLN  17  -4.629  13.255  -7.227
  112    HA   GLN  17           HA       GLN  17  -6.627  13.243  -5.141
  113   1HB   GLN  17           HB1      GLN  17  -4.557  11.101  -5.663
  114   2HB   GLN  17           HB2      GLN  17  -6.151  10.901  -4.936
  115   1HG   GLN  17           HG1      GLN  17  -6.283  12.173  -7.565
  116   2HG   GLN  17           HG2      GLN  17  -5.529  10.580  -7.634
  117   1HE2  GLN  17          HE22      GLN  17  -9.339  10.352  -7.764
  118   2HE2  GLN  17          HE21      GLN  17  -8.246  11.327  -8.622
  119    H    GLU  18           HN       GLU  18  -6.039  12.275  -2.898
  120    HA   GLU  18           HA       GLU  18  -3.358  13.169  -1.979
  121   1HB   GLU  18           HB1      GLU  18  -4.381  14.396  -0.080
  122   2HB   GLU  18           HB2      GLU  18  -4.830  15.101  -1.633
  123   1HG   GLU  18           HG1      GLU  18  -6.986  14.875  -1.004
  124   2HG   GLU  18           HG2      GLU  18  -6.768  13.129  -1.148
  125    H    ILE  19           HN       ILE  19  -5.142  10.592  -2.227
  126    HA   ILE  19           HA       ILE  19  -4.888   9.756   0.631
  127    HB   ILE  19           HB       ILE  19  -6.367   8.293  -1.545
  128   1HG1  ILE  19          HG11      ILE  19  -6.970  10.877  -0.582
  129   2HG1  ILE  19          HG12      ILE  19  -8.027   9.830  -1.515
  130   1HG2  ILE  19          HG21      ILE  19  -6.392   8.243   1.479
  131   2HG2  ILE  19          HG22      ILE  19  -7.645   7.472   0.502
  132   3HG2  ILE  19          HG23      ILE  19  -5.970   6.932   0.377
  133   1HD1  ILE  19          HD13      ILE  19  -7.813   9.835   1.512
  134   2HD1  ILE  19          HD11      ILE  19  -9.103  10.601   0.586
  135   3HD1  ILE  19          HD12      ILE  19  -8.916   8.847   0.556
  136    H    CYS  20           HN       CYS  20  -4.093   7.595   0.980
  137    HA   CYS  20           HA       CYS  20  -2.243   6.655  -1.173
  138   1HB   CYS  20           HB1      CYS  20  -1.183   7.911   0.854
  139   2HB   CYS  20           HB2      CYS  20  -1.553   6.442   1.755
  140    H    TYR  21           HN       TYR  21  -2.558   4.516  -1.649
  141    HA   TYR  21           HA       TYR  21  -4.232   2.963   0.260
  142   1HB   TYR  21           HB1      TYR  21  -4.891   1.596  -1.544
  143   2HB   TYR  21           HB2      TYR  21  -4.801   3.199  -2.272
  144    HD1  TYR  21           HD2      TYR  21  -2.861   0.049  -1.748
  145    HD2  TYR  21           HD1      TYR  21  -3.329   3.637  -4.068
  146    HE1  TYR  21           HE2      TYR  21  -1.162  -0.770  -3.361
  147    HE2  TYR  21           HE1      TYR  21  -1.632   2.815  -5.679
  148    HH   TYR  21           HH       TYR  21  -0.398   1.059  -6.308
  149    H    VAL  22           HN       VAL  22  -3.529   0.801   0.831
  150    HA   VAL  22           HA       VAL  22  -0.587   0.433   0.471
  151    HB   VAL  22           HB       VAL  22  -0.437  -0.415   2.730
  152   1HG1  VAL  22          HG12      VAL  22  -2.086   2.123   2.533
  153   2HG1  VAL  22          HG11      VAL  22  -1.308   1.586   4.023
  154   3HG1  VAL  22          HG13      VAL  22  -0.329   2.003   2.616
  155   1HG2  VAL  22          HG22      VAL  22  -3.382  -0.543   2.431
  156   2HG2  VAL  22          HG21      VAL  22  -2.293  -1.603   3.326
  157   3HG2  VAL  22          HG23      VAL  22  -2.793  -0.061   4.022
  158    H    LYS  23           HN       LYS  23  -0.588  -1.122  -1.123
  159    HA   LYS  23           HA       LYS  23  -2.402  -3.454  -0.801
  160   1HB   LYS  23           HB1      LYS  23  -2.210  -2.245  -3.019
  161   2HB   LYS  23           HB2      LYS  23  -0.553  -2.842  -3.118
  162   1HG   LYS  23           HG1      LYS  23  -1.494  -5.177  -2.812
  163   2HG   LYS  23           HG2      LYS  23  -3.101  -4.475  -2.990
  164   1HD   LYS  23           HD1      LYS  23  -2.706  -3.847  -5.229
  165   2HD   LYS  23           HD2      LYS  23  -0.955  -3.974  -5.051
  166   1HE   LYS  23           HE1      LYS  23  -1.423  -6.491  -4.565
  167   2HE   LYS  23           HE2      LYS  23  -2.995  -6.181  -5.302
  168   1HZ   LYS  23           HZ1      LYS  23  -0.392  -5.559  -6.585
  169   2HZ   LYS  23           HZ2      LYS  23  -1.302  -6.960  -6.893
  170   3HZ   LYS  23           HZ3      LYS  23  -1.928  -5.432  -7.292
  171    H    SER  24           HN       SER  24  -1.593  -5.262   0.138
  172    HA   SER  24           HA       SER  24   1.335  -5.755  -0.110
  173   1HB   SER  24           HB1      SER  24  -0.355  -5.624   2.372
  174   2HB   SER  24           HB2      SER  24   1.070  -6.658   2.331
  175    HG   SER  24           HG       SER  24   0.887  -3.905   2.323
  176    H    TRP  25           HN       TRP  25   1.521  -7.659  -1.173
  177    HA   TRP  25           HA       TRP  25  -0.170  -9.931  -0.222
  178   1HB   TRP  25           HB1      TRP  25  -0.374 -10.727  -2.566
  179   2HB   TRP  25           HB2      TRP  25  -1.155  -9.166  -2.321
  180    HD1  TRP  25           HD1      TRP  25   1.436 -10.828  -4.405
  181    HE1  TRP  25           HE1      TRP  25   2.580  -9.057  -5.902
  182    HE3  TRP  25           HE3      TRP  25  -0.269  -6.650  -2.153
  183    HZ2  TRP  25           HZ2      TRP  25   2.742  -6.176  -6.073
  184    HZ3  TRP  25           HZ3      TRP  25   0.378  -4.443  -2.930
  185    HH2  TRP  25           HH2      TRP  25   1.880  -4.155  -4.897
  186    H    CYS  26           HN       CYS  26   0.902 -11.894  -0.129
  187    HA   CYS  26           HA       CYS  26   3.764 -11.942  -1.021
  188   1HB   CYS  26           HB1      CYS  26   3.838 -11.572   1.347
  189   2HB   CYS  26           HB2      CYS  26   2.553 -12.738   1.644
  190    H    ASN  27           HN       ASN  27   4.535 -14.315  -1.186
  191    HA   ASN  27           HA       ASN  27   2.300 -15.956  -2.287
  192   1HB   ASN  27           HB1      ASN  27   5.107 -15.517  -2.960
  193   2HB   ASN  27           HB2      ASN  27   4.679 -17.226  -2.906
  194   1HD2  ASN  27          HD22      ASN  27   3.565 -15.090  -6.089
  195   2HD2  ASN  27          HD21      ASN  27   4.761 -14.604  -4.986
  196    H    ALA  28           HN       ALA  28   3.195 -15.695   0.596
  197    HA   ALA  28           HA       ALA  28   3.113 -17.155   2.422
  198   1HB   ALA  28           HB2      ALA  28   2.202 -18.764   0.260
  199   2HB   ALA  28           HB1      ALA  28   3.336 -19.725   1.209
  200   3HB   ALA  28           HB3      ALA  28   1.925 -19.006   1.984
  201    H    TRP  29           HN       TRP  29   5.533 -16.943   0.189
  202    HA   TRP  29           HA       TRP  29   7.447 -18.196   2.082
  203   1HB   TRP  29           HB1      TRP  29   7.401 -18.618  -0.896
  204   2HB   TRP  29           HB2      TRP  29   8.667 -19.152   0.176
  205    HD1  TRP  29           HD1      TRP  29   4.787 -19.532   0.069
  206    HE1  TRP  29           HE1      TRP  29   4.258 -21.972   0.749
  207    HE3  TRP  29           HE3      TRP  29   9.478 -21.183   0.899
  208    HZ2  TRP  29           HZ2      TRP  29   5.697 -24.342   1.552
  209    HZ3  TRP  29           HZ3      TRP  29   9.924 -23.533   1.625
  210    HH2  TRP  29           HH2      TRP  29   8.030 -25.109   1.949
  211    H    CYS  30           HN       CYS  30   6.617 -15.361   1.077
  212    HA   CYS  30           HA       CYS  30   8.964 -14.341  -0.288
  213   1HB   CYS  30           HB1      CYS  30   7.977 -12.130   0.212
  214   2HB   CYS  30           HB2      CYS  30   6.820 -13.233  -0.530
  215    H    SER  31           HN       SER  31   9.554 -15.711   2.312
  216    HA   SER  31           HA       SER  31  10.062 -14.004   4.453
  217   1HB   SER  31           HB1      SER  31  10.628 -16.273   4.794
  218   2HB   SER  31           HB2      SER  31  11.632 -16.331   3.349
  219    HG   SER  31           HG       SER  31  12.888 -16.172   5.250
  220    H    SER  32           HN       SER  32  10.564 -11.907   3.666
  221    HA   SER  32           HA       SER  32  11.864 -10.235   2.613
  222   1HB   SER  32           HB1      SER  32  14.230 -11.566   3.849
  223   2HB   SER  32           HB2      SER  32  13.796  -9.859   3.818
  224    HG   SER  32           HG       SER  32  12.130 -10.295   5.284
  225    H    ARG  33           HN       ARG  33  11.481 -11.371   0.573
  226    HA   ARG  33           HA       ARG  33  14.080 -11.925  -0.738
  227   1HB   ARG  33           HB1      ARG  33  12.730 -14.085   0.018
  228   2HB   ARG  33           HB2      ARG  33  11.808 -13.742  -1.446
  229   1HG   ARG  33           HG1      ARG  33  14.266 -13.463  -2.466
  230   2HG   ARG  33           HG2      ARG  33  14.670 -14.556  -1.142
  231   1HD   ARG  33           HD1      ARG  33  13.360 -16.283  -1.996
  232   2HD   ARG  33           HD2      ARG  33  12.309 -15.183  -2.887
  233    HE   ARG  33           HE       ARG  33  14.512 -16.473  -4.037
  234   1HH1  ARG  33          HH11      ARG  33  12.509 -14.008  -4.772
  235   2HH1  ARG  33          HH12      ARG  33  13.656 -13.038  -5.634
  236   1HH2  ARG  33          HH21      ARG  33  16.399 -14.897  -4.614
  237   2HH2  ARG  33          HH22      ARG  33  15.856 -13.541  -5.546
  238    H    GLY  34           HN       GLY  34  10.663 -12.289  -1.733
  239   1HA   GLY  34           HA1      GLY  34  11.142 -10.098  -3.708
  240   2HA   GLY  34           HA2      GLY  34  10.325 -11.590  -4.173
  241    H    LYS  35           HN       LYS  35   9.732 -10.249  -1.001
  242    HA   LYS  35           HA       LYS  35   6.949 -10.222  -1.137
  243   1HB   LYS  35           HB1      LYS  35   8.730  -8.192   0.264
  244   2HB   LYS  35           HB2      LYS  35   7.011  -8.415   0.586
  245   1HG   LYS  35           HG1      LYS  35   7.358 -10.606   1.446
  246   2HG   LYS  35           HG2      LYS  35   8.992 -10.690   0.790
  247   1HD   LYS  35           HD1      LYS  35   9.881  -9.483   2.517
  248   2HD   LYS  35           HD2      LYS  35   8.465  -8.439   2.648
  249   1HE   LYS  35           HE1      LYS  35   7.746 -11.141   3.357
  250   2HE   LYS  35           HE2      LYS  35   9.144 -10.634   4.304
  251   1HZ   LYS  35           HZ3      LYS  35   7.414  -8.474   4.223
  252   2HZ   LYS  35           HZ1      LYS  35   6.449  -9.829   4.556
  253   3HZ   LYS  35           HZ2      LYS  35   7.770  -9.462   5.558
  254    H    VAL  36           HN       VAL  36   5.590  -9.181  -2.516
  255    HA   VAL  36           HA       VAL  36   6.595  -6.734  -3.893
  256    HB   VAL  36           HB       VAL  36   4.016  -7.827  -4.783
  257   1HG1  VAL  36          HG11      VAL  36   6.200  -6.361  -5.801
  258   2HG1  VAL  36          HG13      VAL  36   6.170  -7.874  -6.706
  259   3HG1  VAL  36          HG12      VAL  36   4.741  -6.841  -6.669
  260   1HG2  VAL  36          HG21      VAL  36   6.519  -9.535  -4.922
  261   2HG2  VAL  36          HG23      VAL  36   4.991  -9.964  -4.153
  262   3HG2  VAL  36          HG22      VAL  36   5.083  -9.808  -5.908
  263    H    LEU  37           HN       LEU  37   6.097  -5.799  -1.598
  264    HA   LEU  37           HA       LEU  37   3.215  -5.124  -1.353
  265   1HB   LEU  37           HB1      LEU  37   5.529  -5.343   0.549
  266   2HB   LEU  37           HB2      LEU  37   4.131  -4.368   0.973
  267    HG   LEU  37           HG       LEU  37   2.721  -6.198   1.064
  268   1HD1  LEU  37          HD12      LEU  37   3.234  -7.028  -1.218
  269   2HD1  LEU  37          HD11      LEU  37   4.699  -7.785  -0.594
  270   3HD1  LEU  37          HD13      LEU  37   3.115  -8.345  -0.054
  271   1HD2  LEU  37          HD22      LEU  37   5.326  -6.560   2.213
  272   2HD2  LEU  37          HD21      LEU  37   3.756  -7.035   2.861
  273   3HD2  LEU  37          HD23      LEU  37   4.635  -8.126   1.791
  274    H    GLU  38           HN       GLU  38   2.734  -3.093  -2.163
  275    HA   GLU  38           HA       GLU  38   4.607  -0.895  -1.499
  276   1HB   GLU  38           HB1      GLU  38   4.081  -0.018  -3.917
  277   2HB   GLU  38           HB2      GLU  38   5.386  -1.175  -3.661
  278   1HG   GLU  38           HG1      GLU  38   2.860  -2.558  -3.990
  279   2HG   GLU  38           HG2      GLU  38   3.149  -1.481  -5.356
  280    H    PHE  39           HN       PHE  39   3.593   1.095  -1.200
  281    HA   PHE  39           HA       PHE  39   0.630   1.017  -1.283
  282   1HB   PHE  39           HB1      PHE  39   2.375   2.959   0.255
  283   2HB   PHE  39           HB2      PHE  39   0.643   2.692   0.455
  284    HD1  PHE  39           HD2      PHE  39   1.196  -0.464  -0.060
  285    HD2  PHE  39           HD1      PHE  39   2.611   2.479   2.736
  286    HE1  PHE  39           HE2      PHE  39   1.677  -2.258   1.580
  287    HE2  PHE  39           HE1      PHE  39   3.090   0.680   4.379
  288    HZ   PHE  39           HZ       PHE  39   2.626  -1.692   3.797
  289    H    GLY  40           HN       GLY  40  -0.381   2.396  -2.735
  290   1HA   GLY  40           HA1      GLY  40   1.427   4.313  -4.148
  291   2HA   GLY  40           HA2      GLY  40   0.083   3.489  -4.925
  292    H    CYS  41           HN       CYS  41  -0.907   5.405  -5.582
  293    HA   CYS  41           HA       CYS  41  -1.839   7.261  -3.463
  294   1HB   CYS  41           HB1      CYS  41  -0.671   8.389  -5.229
  295   2HB   CYS  41           HB2      CYS  41  -1.554   7.518  -6.469
  296    H    ALA  42           HN       ALA  42  -4.074   8.020  -3.740
  297    HA   ALA  42           HA       ALA  42  -5.956   6.600  -5.398
  298   1HB   ALA  42           HB3      ALA  42  -5.119   5.209  -3.076
  299   2HB   ALA  42           HB2      ALA  42  -6.757   5.781  -2.763
  300   3HB   ALA  42           HB1      ALA  42  -6.428   4.779  -4.176
  301    H    ALA  43           HN       ALA  43  -8.247   6.824  -4.265
  302    HA   ALA  43           HA       ALA  43  -8.450   9.629  -3.300
  303   1HB   ALA  43           HB2      ALA  43  -9.508   8.692  -5.577
  304   2HB   ALA  43           HB1      ALA  43 -10.800   8.221  -4.473
  305   3HB   ALA  43           HB3      ALA  43 -10.327   9.916  -4.605
  306    H    THR  44           HN       THR  44  -9.841   6.356  -2.976
  307    HA   THR  44           HA       THR  44 -10.471   7.000  -0.155
  308    HB   THR  44           HB       THR  44 -12.531   7.401  -1.573
  309    HG1  THR  44           HG1      THR  44 -12.417   5.382   0.393
  310   1HG2  THR  44          HG22      THR  44 -12.229   4.420  -2.021
  311   2HG2  THR  44          HG21      THR  44 -13.679   5.347  -2.408
  312   3HG2  THR  44          HG23      THR  44 -12.168   5.678  -3.256
  313    H    CYS  45           HN       CYS  45 -10.551   5.118   1.173
  314    HA   CYS  45           HA       CYS  45  -8.766   3.154   0.882
  315   1HB   CYS  45           HB1      CYS  45 -10.311   3.629   2.833
  316   2HB   CYS  45           HB2      CYS  45 -11.494   2.611   2.024
  317    HA   PRO  46           HA       PRO  46 -10.489   0.795  -2.535
  318   1HB   PRO  46           HB1      PRO  46  -8.260  -0.785  -2.902
  319   2HB   PRO  46           HB2      PRO  46  -8.420   0.859  -3.541
  320   1HG   PRO  46           HG1      PRO  46  -6.738  -0.130  -1.311
  321   2HG   PRO  46           HG2      PRO  46  -6.598   1.369  -2.234
  322   1HD   PRO  46           HD1      PRO  46  -7.731   0.998   0.395
  323   2HD   PRO  46           HD2      PRO  46  -7.597   2.509  -0.531
  324    H    SER  47           HN       SER  47 -11.322  -1.369  -2.757
  325    HA   SER  47           HA       SER  47 -10.836  -3.175  -0.427
  326   1HB   SER  47           HB1      SER  47 -12.978  -2.093  -0.045
  327   2HB   SER  47           HB2      SER  47 -13.503  -2.474  -1.683
  328    HG   SER  47           HG       SER  47 -12.818  -4.378   0.300
  329    H    VAL  48           HN       VAL  48  -9.347  -3.836  -2.433
  330    HA   VAL  48           HA       VAL  48 -10.879  -5.706  -4.173
  331    HB   VAL  48           HB       VAL  48  -8.057  -4.780  -4.519
  332   1HG1  VAL  48          HG11      VAL  48  -9.914  -6.548  -5.975
  333   2HG1  VAL  48          HG13      VAL  48  -9.038  -5.398  -6.984
  334   3HG1  VAL  48          HG12      VAL  48  -8.150  -6.534  -5.968
  335   1HG2  VAL  48          HG22      VAL  48  -9.937  -2.979  -4.570
  336   2HG2  VAL  48          HG21      VAL  48  -8.795  -3.033  -5.913
  337   3HG2  VAL  48          HG23      VAL  48 -10.400  -3.743  -6.092
  338    H    ASN  49           HN       ASN  49 -10.989  -7.576  -2.906
  339    HA   ASN  49           HA       ASN  49  -8.626  -8.497  -1.478
  340   1HB   ASN  49           HB1      ASN  49 -10.835  -8.792  -0.455
  341   2HB   ASN  49           HB2      ASN  49 -11.347  -9.774  -1.829
  342   1HD2  ASN  49          HD22      ASN  49 -10.070 -12.688  -0.335
  343   2HD2  ASN  49          HD21      ASN  49 -11.236 -11.967  -1.335
  344    H    THR  50           HN       THR  50  -8.453  -8.362  -4.415
  345    HA   THR  50           HA       THR  50  -8.723 -11.028  -5.501
  346    HB   THR  50           HB       THR  50  -8.651  -9.056  -6.966
  347    HG1  THR  50           HG1      THR  50  -6.242 -10.348  -7.524
  348   1HG2  THR  50          HG23      THR  50  -6.804  -8.043  -5.312
  349   2HG2  THR  50          HG22      THR  50  -5.722  -8.715  -6.532
  350   3HG2  THR  50          HG21      THR  50  -6.937  -7.522  -6.992
  351    H    GLY  51           HN       GLY  51  -7.653 -12.327  -3.842
  352   1HA   GLY  51           HA1      GLY  51  -5.785 -13.299  -2.771
  353   2HA   GLY  51           HA2      GLY  51  -5.083 -13.203  -4.388
  354    H    THR  52           HN       THR  52  -6.031 -10.304  -2.689
  355    HA   THR  52           HA       THR  52  -3.193  -9.759  -1.959
  356    HB   THR  52           HB       THR  52  -5.008  -8.086  -3.707
  357    HG1  THR  52           HG1      THR  52  -3.524  -9.612  -4.621
  358   1HG2  THR  52          HG21      THR  52  -4.093  -6.659  -1.895
  359   2HG2  THR  52          HG23      THR  52  -2.465  -7.197  -2.314
  360   3HG2  THR  52          HG22      THR  52  -3.407  -6.252  -3.467
  361    H    GLU  53           HN       GLU  53  -3.022  -7.959  -0.363
  362    HA   GLU  53           HA       GLU  53  -5.563  -7.633   1.168
  363   1HB   GLU  53           HB1      GLU  53  -2.921  -7.341   2.527
  364   2HB   GLU  53           HB2      GLU  53  -4.445  -7.959   3.163
  365   1HG   GLU  53           HG1      GLU  53  -3.845  -9.790   1.189
  366   2HG   GLU  53           HG2      GLU  53  -2.250  -9.390   1.825
  367    H    ILE  54           HN       ILE  54  -6.133  -5.596   0.264
  368    HA   ILE  54           HA       ILE  54  -4.092  -3.447   0.489
  369    HB   ILE  54           HB       ILE  54  -5.681  -3.946  -1.606
  370   1HG1  ILE  54          HG11      ILE  54  -5.166  -1.111  -0.696
  371   2HG1  ILE  54          HG12      ILE  54  -3.894  -2.176  -1.293
  372   1HG2  ILE  54          HG21      ILE  54  -7.605  -3.186   0.227
  373   2HG2  ILE  54          HG22      ILE  54  -7.296  -1.698  -0.671
  374   3HG2  ILE  54          HG23      ILE  54  -7.790  -3.158  -1.525
  375   1HD1  ILE  54          HD11      ILE  54  -6.188  -2.223  -3.069
  376   2HD1  ILE  54          HD12      ILE  54  -5.607  -0.573  -2.842
  377   3HD1  ILE  54          HD13      ILE  54  -4.510  -1.820  -3.433
  378    H    LYS  55           HN       LYS  55  -4.855  -1.327   1.371
  379    HA   LYS  55           HA       LYS  55  -7.164  -1.430   3.175
  380   1HB   LYS  55           HB1      LYS  55  -4.340  -1.628   4.141
  381   2HB   LYS  55           HB2      LYS  55  -5.477  -0.656   5.077
  382   1HG   LYS  55           HG1      LYS  55  -6.809  -3.069   4.365
  383   2HG   LYS  55           HG2      LYS  55  -5.218  -3.516   4.982
  384   1HD   LYS  55           HD1      LYS  55  -5.608  -2.479   7.065
  385   2HD   LYS  55           HD2      LYS  55  -6.927  -1.495   6.429
  386   1HE   LYS  55           HE1      LYS  55  -7.164  -4.490   6.386
  387   2HE   LYS  55           HE2      LYS  55  -7.466  -3.620   7.891
  388   1HZ   LYS  55           HZ3      LYS  55  -8.802  -2.198   5.969
  389   2HZ   LYS  55           HZ1      LYS  55  -9.095  -3.818   5.561
  390   3HZ   LYS  55           HZ2      LYS  55  -9.494  -3.249   7.112
  391    H    CYS  56           HN       CYS  56  -6.829   0.734   4.678
  392    HA   CYS  56           HA       CYS  56  -6.434   2.899   2.671
  393   1HB   CYS  56           HB1      CYS  56  -7.551   3.747   5.230
  394   2HB   CYS  56           HB2      CYS  56  -8.213   3.939   3.611
  395    H    CYS  57           HN       CYS  57  -4.960   4.554   3.059
  396    HA   CYS  57           HA       CYS  57  -3.648   4.815   5.663
  397   1HB   CYS  57           HB1      CYS  57  -2.441   2.888   4.744
  398   2HB   CYS  57           HB2      CYS  57  -2.123   3.783   3.260
  399    H    SER  58           HN       SER  58  -2.678   6.837   5.847
  400    HA   SER  58           HA       SER  58  -2.376   8.395   3.346
  401   1HB   SER  58           HB1      SER  58  -3.231  10.186   5.388
  402   2HB   SER  58           HB2      SER  58  -4.063   9.784   3.889
  403    HG   SER  58           HG       SER  58  -5.191   9.299   5.930
  404    H    ALA  59           HN       ALA  59  -0.977   7.291   6.126
  405    HA   ALA  59           HA       ALA  59   1.338   9.010   5.730
  406   1HB   ALA  59           HB2      ALA  59  -0.311   9.313   8.255
  407   2HB   ALA  59           HB1      ALA  59   1.318   9.956   8.043
  408   3HB   ALA  59           HB3      ALA  59  -0.005  10.559   7.045
  409    H    ASP  60           HN       ASP  60   1.206   8.196   8.967
  410    HA   ASP  60           HA       ASP  60   2.763   5.728   8.466
  411   1HB   ASP  60           HB1      ASP  60   3.668   7.549   9.992
  412   2HB   ASP  60           HB2      ASP  60   2.335   7.192  11.091
  413    H    LYS  61           HN       LYS  61  -0.075   5.863   8.075
  414    HA   LYS  61           HA       LYS  61  -1.091   4.205  10.307
  415   1HB   LYS  61           HB1      LYS  61  -2.533   6.078   9.963
  416   2HB   LYS  61           HB2      LYS  61  -2.498   5.859   8.213
  417   1HG   LYS  61           HG1      LYS  61  -3.971   4.082   8.275
  418   2HG   LYS  61           HG2      LYS  61  -3.458   3.577   9.884
  419   1HD   LYS  61           HD1      LYS  61  -5.669   4.487  10.123
  420   2HD   LYS  61           HD2      LYS  61  -4.557   5.693  10.770
  421   1HE   LYS  61           HE1      LYS  61  -4.595   6.827   8.522
  422   2HE   LYS  61           HE2      LYS  61  -5.852   5.692   8.028
  423   1HZ   LYS  61           HZ3      LYS  61  -6.761   6.609  10.401
  424   2HZ   LYS  61           HZ1      LYS  61  -6.031   7.992   9.744
  425   3HZ   LYS  61           HZ2      LYS  61  -7.250   7.184   8.878
  426    H    CYS  62           HN       CYS  62   0.352   3.874   7.400
  427    HA   CYS  62           HA       CYS  62  -1.236   2.086   5.908
  428   1HB   CYS  62           HB1      CYS  62   1.756   2.313   6.272
  429   2HB   CYS  62           HB2      CYS  62   1.034   1.154   5.160
  430    H    ASN  63           HN       ASN  63   0.908   1.459   8.675
  431    HA   ASN  63           HA       ASN  63  -0.358  -1.218   8.909
  432   1HB   ASN  63           HB1      ASN  63   1.853  -2.077   9.675
  433   2HB   ASN  63           HB2      ASN  63   1.880  -1.538   7.998
  434   1HD2  ASN  63          HD21      ASN  63   4.310  -1.291   8.460
  435   2HD2  ASN  63          HD22      ASN  63   4.836   0.151   9.186
  436    H    THR  64           HN       THR  64  -1.613   0.442  10.406
  437    HA   THR  64           HA       THR  64  -0.635  -0.057  13.135
  438    HB   THR  64           HB       THR  64  -1.367   2.702  13.095
  439    HG1  THR  64           HG1      THR  64   0.815   3.052  11.864
  440   1HG2  THR  64          HG22      THR  64   0.747   0.887  13.997
  441   2HG2  THR  64          HG21      THR  64   1.328   2.514  13.639
  442   3HG2  THR  64          HG23      THR  64   0.035   2.278  14.816
  443    H    TYR  65           HN       TYR  65  -2.544  -1.174  13.586
  444    HA   TYR  65           HA       TYR  65  -5.093  -0.720  12.769
  445   1HB   TYR  65           HB1      TYR  65  -4.844  -2.596  14.127
  446   2HB   TYR  65           HB2      TYR  65  -4.028  -1.698  15.397
  447    HD1  TYR  65           HD2      TYR  65  -5.337  -0.163  16.884
  448    HD2  TYR  65           HD1      TYR  65  -7.237  -2.733  14.010
  449    HE1  TYR  65           HE2      TYR  65  -7.512   0.155  18.037
  450    HE2  TYR  65           HE1      TYR  65  -9.411  -2.415  15.163
  451    HH   TYR  65           HH       TYR  65  -9.976  -1.708  17.857
  452    HA   PRO  66           HA       PRO  66  -5.820   2.648  16.080
  453   1HB   PRO  66           HB1      PRO  66  -3.608   3.604  17.409
  454   2HB   PRO  66           HB2      PRO  66  -4.611   2.267  18.000
  455   1HG   PRO  66           HG1      PRO  66  -1.901   2.199  16.730
  456   2HG   PRO  66           HG2      PRO  66  -2.623   1.071  17.889
  457   1HD   PRO  66           HD1      PRO  66  -2.388   0.673  15.097
  458   2HD   PRO  66           HD2      PRO  66  -3.403  -0.271  16.203
   
  No H/Q in entry =         458
  Start of MODEL   12
    1   1H    ARG   1           HT1      ARG   1   3.606  15.539  -2.011
    2   2H    ARG   1           HT2      ARG   1   3.249  15.124  -3.619
    3   3H    ARG   1           HT3      ARG   1   1.992  15.438  -2.520
    4    HA   ARG   1           HA       ARG   1   2.035  13.142  -2.675
    5   1HB   ARG   1           HB1      ARG   1   3.856  12.042  -3.401
    6   2HB   ARG   1           HB2      ARG   1   4.658  13.601  -3.506
    7   1HG   ARG   1           HG1      ARG   1   5.075  13.131  -0.895
    8   2HG   ARG   1           HG2      ARG   1   4.941  11.462  -1.451
    9   1HD   ARG   1           HD1      ARG   1   6.924  11.563  -2.547
   10   2HD   ARG   1           HD2      ARG   1   6.575  13.164  -3.202
   11    HE   ARG   1           HE       ARG   1   7.728  12.665  -0.492
   12   1HH1  ARG   1          HH21      ARG   1   6.403  14.947  -2.631
   13   2HH1  ARG   1          HH22      ARG   1   7.614  16.153  -2.343
   14   1HH2  ARG   1          HH11      ARG   1   9.572  14.094  -0.358
   15   2HH2  ARG   1          HH12      ARG   1   9.407  15.670  -1.057
   16    H    GLU   2           HN       GLU   2   1.985  11.665  -0.820
   17    HA   GLU   2           HA       GLU   2   2.925  12.884   1.720
   18   1HB   GLU   2           HB1      GLU   2   0.694  12.407   2.764
   19   2HB   GLU   2           HB2      GLU   2   0.635  13.663   1.527
   20   1HG   GLU   2           HG1      GLU   2   0.287  11.064   0.313
   21   2HG   GLU   2           HG2      GLU   2  -0.878  11.274   1.621
   22    H    CYS   3           HN       CYS   3   4.110  10.697   0.536
   23    HA   CYS   3           HA       CYS   3   3.585   8.679   2.584
   24   1HB   CYS   3           HB1      CYS   3   3.634   7.836  -0.330
   25   2HB   CYS   3           HB2      CYS   3   3.277   6.834   1.071
   26    H    TYR   4           HN       TYR   4   5.486   8.392  -0.417
   27    HA   TYR   4           HA       TYR   4   7.784   7.801  -0.590
   28   1HB   TYR   4           HB1      TYR   4   9.179   9.740   0.189
   29   2HB   TYR   4           HB2      TYR   4   7.813  10.199  -0.827
   30    HD1  TYR   4           HD1      TYR   4   5.828  11.308   0.158
   31    HD2  TYR   4           HD2      TYR   4   9.209  10.244   2.581
   32    HE1  TYR   4           HE1      TYR   4   4.978  12.765   1.977
   33    HE2  TYR   4           HE2      TYR   4   8.362  11.699   4.402
   34    HH   TYR   4           HH       TYR   4   5.915  13.988   3.937
   35    H    LEU   5           HN       LEU   5   6.507   6.737   1.940
   36    HA   LEU   5           HA       LEU   5   8.968   6.347   3.395
   37   1HB   LEU   5           HB1      LEU   5   6.444   7.493   4.396
   38   2HB   LEU   5           HB2      LEU   5   7.491   6.619   5.487
   39    HG   LEU   5           HG       LEU   5   8.517   8.811   3.672
   40   1HD1  LEU   5          HD12      LEU   5   7.288   9.048   6.433
   41   2HD1  LEU   5          HD11      LEU   5   8.343  10.282   5.746
   42   3HD1  LEU   5          HD13      LEU   5   6.811   9.897   4.963
   43   1HD2  LEU   5          HD23      LEU   5   9.785   6.975   5.323
   44   2HD2  LEU   5          HD21      LEU   5  10.486   8.491   4.757
   45   3HD2  LEU   5          HD22      LEU   5   9.699   8.418   6.333
   46    H    ASN   6           HN       ASN   6   6.004   5.467   4.896
   47    HA   ASN   6           HA       ASN   6   5.259   3.358   5.573
   48   1HB   ASN   6           HB1      ASN   6   4.172   2.297   3.848
   49   2HB   ASN   6           HB2      ASN   6   4.544   3.814   3.051
   50   1HD2  ASN   6          HD22      ASN   6   5.577   1.212   0.671
   51   2HD2  ASN   6          HD21      ASN   6   4.132   1.815   1.312
   52    HA   PRO   7           HA       PRO   7   8.473   0.407   5.992
   53   1HB   PRO   7           HB1      PRO   7   7.295  -2.036   5.500
   54   2HB   PRO   7           HB2      PRO   7   7.012  -1.083   6.968
   55   1HG   PRO   7           HG1      PRO   7   5.225  -1.526   4.624
   56   2HG   PRO   7           HG2      PRO   7   4.801  -1.099   6.287
   57   1HD   PRO   7           HD1      PRO   7   4.925   0.657   4.039
   58   2HD   PRO   7           HD2      PRO   7   4.705   1.131   5.739
   59    H    HIS   8           HN       HIS   8   6.674   0.011   2.990
   60    HA   HIS   8           HA       HIS   8   8.934  -1.339   1.655
   61   1HB   HIS   8           HB1      HIS   8   6.467  -0.321   0.274
   62   2HB   HIS   8           HB2      HIS   8   7.465  -1.714  -0.132
   63    HD1  HIS   8           HD1      HIS   8   6.970  -3.920   1.060
   64    HD2  HIS   8           HD2      HIS   8   4.684  -0.752   2.508
   65    HE1  HIS   8           HE1      HIS   8   5.192  -4.944   2.546
   66    H    ASP   9           HN       ASP   9   8.595  -0.091  -0.880
   67    HA   ASP   9           HA       ASP   9  10.264   2.273  -0.438
   68   1HB   ASP   9           HB1      ASP   9  10.298   0.449  -2.385
   69   2HB   ASP   9           HB2      ASP   9   9.198   1.601  -3.145
   70    H    THR  10           HN       THR  10   6.965   1.867  -0.363
   71    HA   THR  10           HA       THR  10   5.152   3.334  -0.662
   72    HB   THR  10           HB       THR  10   6.381   5.868  -0.660
   73    HG1  THR  10           HG1      THR  10   7.753   3.974   0.934
   74   1HG2  THR  10          HG23      THR  10   4.535   4.428   0.854
   75   2HG2  THR  10          HG22      THR  10   5.803   4.835   2.003
   76   3HG2  THR  10          HG21      THR  10   4.994   6.111   1.101
   77    H    GLN  11           HN       GLN  11   4.559   5.449  -2.078
   78    HA   GLN  11           HA       GLN  11   6.062   5.449  -4.591
   79   1HB   GLN  11           HB1      GLN  11   4.530   3.754  -5.152
   80   2HB   GLN  11           HB2      GLN  11   3.206   4.555  -4.314
   81   1HG   GLN  11           HG1      GLN  11   3.102   6.287  -5.994
   82   2HG   GLN  11           HG2      GLN  11   4.579   5.700  -6.760
   83   1HE2  GLN  11          HE22      GLN  11   1.778   4.300  -8.740
   84   2HE2  GLN  11          HE21      GLN  11   2.438   5.835  -8.446
   85    H    THR  12           HN       THR  12   4.719   7.243  -2.219
   86    HA   THR  12           HA       THR  12   4.130   9.504  -2.053
   87    HB   THR  12           HB       THR  12   5.333  10.941  -3.449
   88    HG1  THR  12           HG1      THR  12   5.919  10.271  -5.589
   89   1HG2  THR  12          HG22      THR  12   6.790   9.282  -2.319
   90   2HG2  THR  12          HG21      THR  12   6.722   8.276  -3.766
   91   3HG2  THR  12          HG23      THR  12   7.485   9.864  -3.832
   92    H    CYS  13           HN       CYS  13   2.513  10.981  -2.668
   93    HA   CYS  13           HA       CYS  13   0.775  10.182  -4.969
   94   1HB   CYS  13           HB1      CYS  13  -0.398   9.443  -2.985
   95   2HB   CYS  13           HB2      CYS  13  -0.046  10.953  -2.150
   96    HA   PRO  14           HA       PRO  14   2.027  14.657  -4.993
   97   1HB   PRO  14           HB1      PRO  14   3.123  14.593  -7.522
   98   2HB   PRO  14           HB2      PRO  14   4.039  14.285  -6.036
   99   1HG   PRO  14           HG1      PRO  14   3.047  12.353  -8.099
  100   2HG   PRO  14           HG2      PRO  14   4.455  12.227  -7.032
  101   1HD   PRO  14           HD1      PRO  14   1.962  10.934  -6.664
  102   2HD   PRO  14           HD2      PRO  14   3.236  11.101  -5.437
  103    H    SER  15           HN       SER  15   1.030  12.974  -8.019
  104    HA   SER  15           HA       SER  15  -0.928  15.172  -8.472
  105   1HB   SER  15           HB1      SER  15  -0.891  13.317 -10.639
  106   2HB   SER  15           HB2      SER  15  -0.296  14.974 -10.622
  107    HG   SER  15           HG       SER  15   1.673  14.291 -10.417
  108    H    GLY  16           HN       GLY  16  -3.137  14.640  -9.003
  109   1HA   GLY  16           HA1      GLY  16  -4.984  13.083  -9.193
  110   2HA   GLY  16           HA2      GLY  16  -3.987  11.852  -8.419
  111    H    GLN  17           HN       GLN  17  -5.559  11.427  -6.785
  112    HA   GLN  17           HA       GLN  17  -6.681  13.534  -5.145
  113   1HB   GLN  17           HB1      GLN  17  -6.504  10.528  -4.838
  114   2HB   GLN  17           HB2      GLN  17  -7.271  11.556  -3.627
  115   1HG   GLN  17           HG1      GLN  17  -8.057  11.839  -6.511
  116   2HG   GLN  17           HG2      GLN  17  -8.720  10.510  -5.560
  117   1HE2  GLN  17          HE22      GLN  17  -9.916  14.347  -4.802
  118   2HE2  GLN  17          HE21      GLN  17  -8.619  14.049  -5.857
  119    H    GLU  18           HN       GLU  18  -6.256  12.619  -2.524
  120    HA   GLU  18           HA       GLU  18  -3.302  12.942  -2.196
  121   1HB   GLU  18           HB1      GLU  18  -5.461  14.190  -0.471
  122   2HB   GLU  18           HB2      GLU  18  -3.720  14.383  -0.263
  123   1HG   GLU  18           HG1      GLU  18  -3.905  15.147  -2.827
  124   2HG   GLU  18           HG2      GLU  18  -5.538  15.571  -2.311
  125    H    ILE  19           HN       ILE  19  -5.025  10.516  -2.153
  126    HA   ILE  19           HA       ILE  19  -4.850   9.743   0.725
  127    HB   ILE  19           HB       ILE  19  -6.065   8.141  -1.524
  128   1HG1  ILE  19          HG11      ILE  19  -6.908  10.692  -0.827
  129   2HG1  ILE  19          HG12      ILE  19  -7.904   9.468  -1.596
  130   1HG2  ILE  19          HG21      ILE  19  -6.210   8.121   1.486
  131   2HG2  ILE  19          HG22      ILE  19  -7.487   7.385   0.514
  132   3HG2  ILE  19          HG23      ILE  19  -5.828   6.795   0.388
  133   1HD1  ILE  19          HD12      ILE  19  -7.632   9.711   1.411
  134   2HD1  ILE  19          HD13      ILE  19  -8.898  10.528   0.493
  135   3HD1  ILE  19          HD11      ILE  19  -8.820   8.766   0.511
  136    H    CYS  20           HN       CYS  20  -3.993   7.584   1.153
  137    HA   CYS  20           HA       CYS  20  -1.909   6.770  -0.828
  138   1HB   CYS  20           HB1      CYS  20  -1.223   8.009   1.453
  139   2HB   CYS  20           HB2      CYS  20  -1.375   6.371   2.084
  140    H    TYR  21           HN       TYR  21  -2.542   4.746  -1.541
  141    HA   TYR  21           HA       TYR  21  -4.004   3.046   0.413
  142   1HB   TYR  21           HB1      TYR  21  -4.863   1.815  -1.395
  143   2HB   TYR  21           HB2      TYR  21  -4.807   3.457  -2.029
  144    HD1  TYR  21           HD2      TYR  21  -2.759   0.318  -1.845
  145    HD2  TYR  21           HD1      TYR  21  -3.678   3.906  -4.017
  146    HE1  TYR  21           HE2      TYR  21  -1.298  -0.433  -3.704
  147    HE2  TYR  21           HE1      TYR  21  -2.218   3.156  -5.879
  148    HH   TYR  21           HH       TYR  21  -0.547   1.671  -6.418
  149    H    VAL  22           HN       VAL  22  -3.328   0.780   0.651
  150    HA   VAL  22           HA       VAL  22  -0.410   0.465   0.098
  151    HB   VAL  22           HB       VAL  22  -0.096  -0.506   2.276
  152   1HG1  VAL  22          HG12      VAL  22  -1.915   1.920   2.479
  153   2HG1  VAL  22          HG11      VAL  22  -0.871   1.334   3.772
  154   3HG1  VAL  22          HG13      VAL  22  -0.163   1.951   2.281
  155   1HG2  VAL  22          HG23      VAL  22  -3.104  -0.541   2.299
  156   2HG2  VAL  22          HG22      VAL  22  -1.980  -1.861   2.625
  157   3HG2  VAL  22          HG21      VAL  22  -2.195  -0.573   3.811
  158    H    LYS  23           HN       LYS  23  -0.246  -1.130  -1.410
  159    HA   LYS  23           HA       LYS  23  -2.182  -3.403  -1.285
  160   1HB   LYS  23           HB1      LYS  23  -0.581  -2.129  -3.462
  161   2HB   LYS  23           HB2      LYS  23  -0.897  -3.858  -3.586
  162   1HG   LYS  23           HG1      LYS  23  -3.365  -3.177  -3.034
  163   2HG   LYS  23           HG2      LYS  23  -2.850  -1.575  -3.562
  164   1HD   LYS  23           HD1      LYS  23  -2.244  -3.987  -5.255
  165   2HD   LYS  23           HD2      LYS  23  -3.840  -3.240  -5.326
  166   1HE   LYS  23           HE1      LYS  23  -3.059  -1.493  -6.527
  167   2HE   LYS  23           HE2      LYS  23  -1.702  -1.257  -5.425
  168   1HZ   LYS  23           HZ1      LYS  23  -1.186  -3.599  -6.794
  169   2HZ   LYS  23           HZ2      LYS  23  -1.738  -2.502  -7.968
  170   3HZ   LYS  23           HZ3      LYS  23  -0.407  -2.106  -6.989
  171    H    SER  24           HN       SER  24  -1.438  -5.443  -0.735
  172    HA   SER  24           HA       SER  24   1.523  -5.783  -0.677
  173   1HB   SER  24           HB1      SER  24   0.475  -7.377   1.395
  174   2HB   SER  24           HB2      SER  24   1.441  -5.916   1.569
  175    HG   SER  24           HG       SER  24  -0.284  -5.117   2.431
  176    H    TRP  25           HN       TRP  25   1.819  -7.236  -2.315
  177    HA   TRP  25           HA       TRP  25   0.311  -9.818  -2.101
  178   1HB   TRP  25           HB1      TRP  25   0.080  -9.886  -4.529
  179   2HB   TRP  25           HB2      TRP  25  -0.624  -8.382  -3.926
  180    HD1  TRP  25           HD1      TRP  25   2.119  -9.688  -6.135
  181    HE1  TRP  25           HE1      TRP  25   3.427  -7.684  -7.116
  182    HE3  TRP  25           HE3      TRP  25   0.216  -6.003  -3.261
  183    HZ2  TRP  25           HZ2      TRP  25   3.626  -4.835  -6.676
  184    HZ3  TRP  25           HZ3      TRP  25   0.959  -3.701  -3.500
  185    HH2  TRP  25           HH2      TRP  25   2.662  -3.072  -5.209
  186    H    CYS  26           HN       CYS  26   1.491 -11.653  -2.926
  187    HA   CYS  26           HA       CYS  26   4.330 -11.173  -3.663
  188   1HB   CYS  26           HB1      CYS  26   5.223 -12.501  -1.964
  189   2HB   CYS  26           HB2      CYS  26   3.925 -11.672  -1.116
  190    H    ASN  27           HN       ASN  27   5.039 -13.905  -3.638
  191    HA   ASN  27           HA       ASN  27   3.313 -14.902  -5.864
  192   1HB   ASN  27           HB1      ASN  27   6.242 -15.314  -5.226
  193   2HB   ASN  27           HB2      ASN  27   5.382 -16.307  -6.404
  194   1HD2  ASN  27          HD22      ASN  27   6.101 -13.875  -8.854
  195   2HD2  ASN  27          HD21      ASN  27   6.155 -15.508  -8.397
  196    H    ALA  28           HN       ALA  28   3.807 -17.523  -5.957
  197    HA   ALA  28           HA       ALA  28   2.525 -18.521  -3.552
  198   1HB   ALA  28           HB2      ALA  28   3.376 -19.699  -6.163
  199   2HB   ALA  28           HB1      ALA  28   3.025 -20.786  -4.818
  200   3HB   ALA  28           HB3      ALA  28   1.779 -19.688  -5.415
  201    H    TRP  29           HN       TRP  29   5.626 -17.732  -4.089
  202    HA   TRP  29           HA       TRP  29   6.583 -19.690  -2.079
  203   1HB   TRP  29           HB1      TRP  29   8.016 -18.980  -4.630
  204   2HB   TRP  29           HB2      TRP  29   8.651 -19.977  -3.349
  205    HD1  TRP  29           HD1      TRP  29   5.386 -19.974  -5.490
  206    HE1  TRP  29           HE1      TRP  29   4.895 -22.439  -6.103
  207    HE3  TRP  29           HE3      TRP  29   9.250 -22.194  -3.124
  208    HZ2  TRP  29           HZ2      TRP  29   6.036 -25.044  -5.624
  209    HZ3  TRP  29           HZ3      TRP  29   9.566 -24.671  -3.188
  210    HH2  TRP  29           HH2      TRP  29   7.956 -26.093  -4.440
  211    H    CYS  30           HN       CYS  30   5.841 -16.765  -2.099
  212    HA   CYS  30           HA       CYS  30   8.245 -15.200  -1.984
  213   1HB   CYS  30           HB1      CYS  30   6.795 -13.612  -0.619
  214   2HB   CYS  30           HB2      CYS  30   6.233 -13.998  -2.245
  215    H    SER  31           HN       SER  31   7.691 -17.746  -0.027
  216    HA   SER  31           HA       SER  31   7.787 -17.032   2.624
  217   1HB   SER  31           HB1      SER  31   8.078 -19.366   1.715
  218   2HB   SER  31           HB2      SER  31   9.761 -18.967   1.377
  219    HG   SER  31           HG       SER  31   9.346 -19.990   3.455
  220    H    SER  32           HN       SER  32   8.688 -14.981   2.956
  221    HA   SER  32           HA       SER  32  10.360 -13.335   3.088
  222   1HB   SER  32           HB1      SER  32  12.357 -15.401   3.796
  223   2HB   SER  32           HB2      SER  32  11.933 -13.910   4.632
  224    HG   SER  32           HG       SER  32   9.888 -15.007   5.131
  225    H    ARG  33           HN       ARG  33  10.348 -13.186   0.753
  226    HA   ARG  33           HA       ARG  33  13.032 -13.886  -0.344
  227   1HB   ARG  33           HB1      ARG  33  11.459 -15.528  -1.262
  228   2HB   ARG  33           HB2      ARG  33  10.395 -14.229  -1.806
  229   1HG   ARG  33           HG1      ARG  33  12.629 -13.396  -2.999
  230   2HG   ARG  33           HG2      ARG  33  13.043 -15.107  -2.893
  231   1HD   ARG  33           HD1      ARG  33  10.492 -15.298  -3.792
  232   2HD   ARG  33           HD2      ARG  33  10.952 -13.755  -4.514
  233    HE   ARG  33           HE       ARG  33  12.714 -16.128  -4.901
  234   1HH1  ARG  33          HH11      ARG  33  12.140 -13.110  -6.072
  235   2HH1  ARG  33          HH12      ARG  33  11.908 -13.567  -7.726
  236   1HH2  ARG  33          HH21      ARG  33  11.769 -16.965  -7.045
  237   2HH2  ARG  33          HH22      ARG  33  11.697 -15.749  -8.277
  238    H    GLY  34           HN       GLY  34  10.702 -12.524  -2.509
  239   1HA   GLY  34           HA1      GLY  34  11.821  -9.802  -1.990
  240   2HA   GLY  34           HA2      GLY  34  11.692 -10.442  -3.630
  241    H    LYS  35           HN       LYS  35   9.517 -10.308  -0.787
  242    HA   LYS  35           HA       LYS  35   7.073 -10.254  -2.092
  243   1HB   LYS  35           HB1      LYS  35   7.788  -8.480   0.264
  244   2HB   LYS  35           HB2      LYS  35   6.177  -9.050  -0.175
  245   1HG   LYS  35           HG1      LYS  35   7.366 -11.429  -0.006
  246   2HG   LYS  35           HG2      LYS  35   8.451 -10.544   1.068
  247   1HD   LYS  35           HD1      LYS  35   5.469 -10.298   1.393
  248   2HD   LYS  35           HD2      LYS  35   6.322 -11.682   2.075
  249   1HE   LYS  35           HE1      LYS  35   7.742  -9.225   2.660
  250   2HE   LYS  35           HE2      LYS  35   6.071  -9.117   3.213
  251   1HZ   LYS  35           HZ2      LYS  35   6.437 -11.374   4.225
  252   2HZ   LYS  35           HZ3      LYS  35   8.095 -11.158   3.921
  253   3HZ   LYS  35           HZ1      LYS  35   7.279 -10.094   4.958
  254    H    VAL  36           HN       VAL  36   5.945  -8.784  -3.325
  255    HA   VAL  36           HA       VAL  36   7.352  -6.229  -3.963
  256    HB   VAL  36           HB       VAL  36   4.995  -6.892  -5.584
  257   1HG1  VAL  36          HG11      VAL  36   6.829  -5.181  -6.022
  258   2HG1  VAL  36          HG13      VAL  36   7.887  -6.541  -6.399
  259   3HG1  VAL  36          HG12      VAL  36   6.447  -6.247  -7.374
  260   1HG2  VAL  36          HG23      VAL  36   7.377  -8.776  -5.582
  261   2HG2  VAL  36          HG22      VAL  36   5.719  -9.197  -5.148
  262   3HG2  VAL  36          HG21      VAL  36   6.111  -8.751  -6.809
  263    H    LEU  37           HN       LEU  37   6.387  -5.706  -1.687
  264    HA   LEU  37           HA       LEU  37   3.538  -4.909  -1.886
  265   1HB   LEU  37           HB1      LEU  37   5.467  -5.332   0.397
  266   2HB   LEU  37           HB2      LEU  37   3.908  -4.561   0.618
  267    HG   LEU  37           HG       LEU  37   2.754  -6.519   0.367
  268   1HD1  LEU  37          HD12      LEU  37   3.554  -6.777  -2.030
  269   2HD1  LEU  37          HD11      LEU  37   4.921  -7.690  -1.397
  270   3HD1  LEU  37          HD13      LEU  37   3.279  -8.291  -1.174
  271   1HD2  LEU  37          HD22      LEU  37   5.533  -7.513   0.997
  272   2HD2  LEU  37          HD21      LEU  37   4.313  -6.982   2.156
  273   3HD2  LEU  37          HD23      LEU  37   4.058  -8.455   1.219
  274    H    GLU  38           HN       GLU  38   3.205  -2.792  -2.436
  275    HA   GLU  38           HA       GLU  38   4.939  -0.746  -1.172
  276   1HB   GLU  38           HB1      GLU  38   4.880   0.509  -3.430
  277   2HB   GLU  38           HB2      GLU  38   6.017  -0.830  -3.269
  278   1HG   GLU  38           HG1      GLU  38   3.443  -1.814  -4.132
  279   2HG   GLU  38           HG2      GLU  38   3.985  -0.530  -5.211
  280    H    PHE  39           HN       PHE  39   3.882   1.292  -0.944
  281    HA   PHE  39           HA       PHE  39   0.952   1.184  -1.404
  282   1HB   PHE  39           HB1      PHE  39   2.361   2.867   0.677
  283   2HB   PHE  39           HB2      PHE  39   0.642   2.478   0.588
  284    HD1  PHE  39           HD1      PHE  39   1.257  -0.498  -0.290
  285    HD2  PHE  39           HD2      PHE  39   2.555   1.969   2.977
  286    HE1  PHE  39           HE1      PHE  39   1.656  -2.526   1.078
  287    HE2  PHE  39           HE2      PHE  39   2.951  -0.063   4.349
  288    HZ   PHE  39           HZ       PHE  39   2.502  -2.310   3.398
  289    H    GLY  40           HN       GLY  40   0.023   2.988  -2.492
  290   1HA   GLY  40           HA1      GLY  40   1.944   5.165  -3.189
  291   2HA   GLY  40           HA2      GLY  40   0.993   4.388  -4.450
  292    H    CYS  41           HN       CYS  41  -0.289   6.096  -5.072
  293    HA   CYS  41           HA       CYS  41  -1.737   7.608  -2.985
  294   1HB   CYS  41           HB1      CYS  41  -0.518   8.865  -4.717
  295   2HB   CYS  41           HB2      CYS  41  -1.490   8.112  -5.963
  296    H    ALA  42           HN       ALA  42  -3.951   8.057  -3.359
  297    HA   ALA  42           HA       ALA  42  -5.563   6.482  -5.189
  298   1HB   ALA  42           HB3      ALA  42  -5.032   5.493  -2.457
  299   2HB   ALA  42           HB2      ALA  42  -6.735   5.538  -2.909
  300   3HB   ALA  42           HB1      ALA  42  -5.589   4.618  -3.884
  301    H    ALA  43           HN       ALA  43  -7.966   6.602  -4.205
  302    HA   ALA  43           HA       ALA  43  -8.371   9.448  -3.447
  303   1HB   ALA  43           HB2      ALA  43  -9.209   8.531  -5.720
  304   2HB   ALA  43           HB1      ALA  43 -10.441   7.702  -4.769
  305   3HB   ALA  43           HB3      ALA  43 -10.344   9.463  -4.744
  306    H    THR  44           HN       THR  44  -9.640   6.143  -2.943
  307    HA   THR  44           HA       THR  44 -10.284   6.849  -0.173
  308    HB   THR  44           HB       THR  44 -12.287   7.611  -1.480
  309    HG1  THR  44           HG1      THR  44 -12.441   6.797   0.675
  310   1HG2  THR  44          HG22      THR  44 -11.921   5.620  -3.144
  311   2HG2  THR  44          HG21      THR  44 -12.891   4.712  -1.985
  312   3HG2  THR  44          HG23      THR  44 -13.563   6.140  -2.770
  313    H    CYS  45           HN       CYS  45 -10.504   4.992   1.125
  314    HA   CYS  45           HA       CYS  45  -9.106   2.754   0.657
  315   1HB   CYS  45           HB1      CYS  45 -10.341   3.449   2.762
  316   2HB   CYS  45           HB2      CYS  45 -11.764   2.677   2.073
  317    HA   PRO  46           HA       PRO  46 -11.368   0.659  -2.567
  318   1HB   PRO  46           HB1      PRO  46  -9.930  -1.688  -2.520
  319   2HB   PRO  46           HB2      PRO  46  -9.344  -0.196  -3.277
  320   1HG   PRO  46           HG1      PRO  46  -8.553  -1.461  -0.696
  321   2HG   PRO  46           HG2      PRO  46  -7.605  -0.418  -1.770
  322   1HD   PRO  46           HD1      PRO  46  -8.866   0.340   0.635
  323   2HD   PRO  46           HD2      PRO  46  -8.190   1.437  -0.587
  324    H    SER  47           HN       SER  47 -12.190  -1.830  -2.793
  325    HA   SER  47           HA       SER  47 -13.202  -2.772  -0.155
  326   1HB   SER  47           HB1      SER  47 -15.038  -1.467  -0.960
  327   2HB   SER  47           HB2      SER  47 -14.864  -2.104  -2.591
  328    HG   SER  47           HG       SER  47 -15.348  -3.825  -0.425
  329    H    VAL  48           HN       VAL  48 -11.362  -3.576  -2.621
  330    HA   VAL  48           HA       VAL  48 -12.522  -6.300  -2.961
  331    HB   VAL  48           HB       VAL  48 -10.706  -4.672  -4.679
  332   1HG1  VAL  48          HG11      VAL  48 -11.008  -7.621  -4.496
  333   2HG1  VAL  48          HG13      VAL  48 -10.987  -6.927  -6.117
  334   3HG1  VAL  48          HG12      VAL  48  -9.623  -6.668  -5.029
  335   1HG2  VAL  48          HG22      VAL  48 -13.194  -4.425  -4.869
  336   2HG2  VAL  48          HG21      VAL  48 -12.435  -5.013  -6.348
  337   3HG2  VAL  48          HG23      VAL  48 -13.281  -6.137  -5.284
  338    H    ASN  49           HN       ASN  49 -11.492  -7.896  -1.855
  339    HA   ASN  49           HA       ASN  49  -8.614  -7.574  -1.291
  340   1HB   ASN  49           HB1      ASN  49 -10.210  -7.148   0.687
  341   2HB   ASN  49           HB2      ASN  49 -10.527  -8.881   0.629
  342   1HD2  ASN  49          HD22      ASN  49  -7.679  -8.369   2.981
  343   2HD2  ASN  49          HD21      ASN  49  -9.315  -7.918   2.941
  344    H    THR  50           HN       THR  50  -8.960  -8.973  -3.444
  345    HA   THR  50           HA       THR  50  -9.771 -11.733  -3.038
  346    HB   THR  50           HB       THR  50  -9.812 -10.556  -5.253
  347    HG1  THR  50           HG1      THR  50  -9.791 -12.537  -5.876
  348   1HG2  THR  50          HG23      THR  50  -7.262  -9.773  -4.591
  349   2HG2  THR  50          HG22      THR  50  -6.961 -11.054  -5.766
  350   3HG2  THR  50          HG21      THR  50  -7.962  -9.672  -6.206
  351    H    GLY  51           HN       GLY  51  -7.090 -12.463  -4.600
  352   1HA   GLY  51           HA1      GLY  51  -5.732 -13.529  -2.297
  353   2HA   GLY  51           HA2      GLY  51  -5.091 -13.505  -3.942
  354    H    THR  52           HN       THR  52  -5.904 -10.417  -3.518
  355    HA   THR  52           HA       THR  52  -3.181  -9.631  -2.663
  356    HB   THR  52           HB       THR  52  -5.462  -8.198  -4.058
  357    HG1  THR  52           HG1      THR  52  -3.846  -9.690  -5.098
  358   1HG2  THR  52          HG23      THR  52  -2.836  -7.111  -3.001
  359   2HG2  THR  52          HG22      THR  52  -3.803  -6.285  -4.224
  360   3HG2  THR  52          HG21      THR  52  -4.464  -6.556  -2.611
  361    H    GLU  53           HN       GLU  53  -2.876  -8.205  -0.886
  362    HA   GLU  53           HA       GLU  53  -5.304  -7.807   0.797
  363   1HB   GLU  53           HB1      GLU  53  -3.833  -7.888   2.755
  364   2HB   GLU  53           HB2      GLU  53  -3.634  -9.353   1.793
  365   1HG   GLU  53           HG1      GLU  53  -1.817  -7.419   0.767
  366   2HG   GLU  53           HG2      GLU  53  -1.650  -7.412   2.524
  367    H    ILE  54           HN       ILE  54  -5.768  -5.743  -0.133
  368    HA   ILE  54           HA       ILE  54  -3.674  -3.668   0.272
  369    HB   ILE  54           HB       ILE  54  -4.941  -3.993  -1.983
  370   1HG1  ILE  54          HG11      ILE  54  -4.837  -1.269  -0.659
  371   2HG1  ILE  54          HG12      ILE  54  -3.485  -2.066  -1.463
  372   1HG2  ILE  54          HG21      ILE  54  -7.136  -3.516  -0.262
  373   2HG2  ILE  54          HG22      ILE  54  -6.965  -2.094  -1.287
  374   3HG2  ILE  54          HG23      ILE  54  -7.157  -3.687  -2.015
  375   1HD1  ILE  54          HD11      ILE  54  -5.018  -2.190  -3.529
  376   2HD1  ILE  54          HD12      ILE  54  -6.049  -1.032  -2.686
  377   3HD1  ILE  54          HD13      ILE  54  -4.390  -0.598  -3.100
  378    H    LYS  55           HN       LYS  55  -4.549  -1.522   1.129
  379    HA   LYS  55           HA       LYS  55  -6.969  -1.752   2.785
  380   1HB   LYS  55           HB1      LYS  55  -4.192  -1.816   3.888
  381   2HB   LYS  55           HB2      LYS  55  -5.412  -0.893   4.769
  382   1HG   LYS  55           HG1      LYS  55  -6.542  -3.409   3.956
  383   2HG   LYS  55           HG2      LYS  55  -5.012  -3.707   4.782
  384   1HD   LYS  55           HD1      LYS  55  -6.502  -3.615   6.579
  385   2HD   LYS  55           HD2      LYS  55  -5.939  -1.944   6.507
  386   1HE   LYS  55           HE1      LYS  55  -8.052  -1.253   6.161
  387   2HE   LYS  55           HE2      LYS  55  -8.124  -2.219   4.686
  388   1HZ   LYS  55           HZ3      LYS  55  -8.602  -4.162   6.187
  389   2HZ   LYS  55           HZ1      LYS  55  -8.841  -3.041   7.438
  390   3HZ   LYS  55           HZ2      LYS  55  -9.838  -3.003   6.063
  391    H    CYS  56           HN       CYS  56  -6.874   0.399   4.301
  392    HA   CYS  56           HA       CYS  56  -6.421   2.621   2.366
  393   1HB   CYS  56           HB1      CYS  56  -7.803   3.533   4.706
  394   2HB   CYS  56           HB2      CYS  56  -8.413   3.423   3.060
  395    H    CYS  57           HN       CYS  57  -4.741   3.963   2.750
  396    HA   CYS  57           HA       CYS  57  -3.734   4.217   5.548
  397   1HB   CYS  57           HB1      CYS  57  -2.351   2.542   4.393
  398   2HB   CYS  57           HB2      CYS  57  -2.054   3.682   3.082
  399    H    SER  58           HN       SER  58  -2.548   6.163   5.926
  400    HA   SER  58           HA       SER  58  -2.576   8.155   3.758
  401   1HB   SER  58           HB1      SER  58  -4.740   8.343   5.048
  402   2HB   SER  58           HB2      SER  58  -3.776   8.781   6.455
  403    HG   SER  58           HG       SER  58  -4.636  10.478   4.850
  404    H    ALA  59           HN       ALA  59  -1.067   6.777   6.394
  405    HA   ALA  59           HA       ALA  59   1.193   8.584   6.126
  406   1HB   ALA  59           HB3      ALA  59  -0.496   8.684   8.637
  407   2HB   ALA  59           HB2      ALA  59   1.157   9.293   8.553
  408   3HB   ALA  59           HB1      ALA  59  -0.103  10.023   7.558
  409    H    ASP  60           HN       ASP  60   1.033   7.477   9.304
  410    HA   ASP  60           HA       ASP  60   2.727   5.148   8.613
  411   1HB   ASP  60           HB1      ASP  60   3.640   6.686  10.301
  412   2HB   ASP  60           HB2      ASP  60   2.173   6.522  11.267
  413    H    LYS  61           HN       LYS  61  -0.107   5.174   8.144
  414    HA   LYS  61           HA       LYS  61  -1.092   3.248  10.167
  415   1HB   LYS  61           HB1      LYS  61  -2.524   5.205   9.895
  416   2HB   LYS  61           HB2      LYS  61  -2.603   4.919   8.156
  417   1HG   LYS  61           HG1      LYS  61  -4.564   4.064   9.599
  418   2HG   LYS  61           HG2      LYS  61  -3.878   2.944   8.428
  419   1HD   LYS  61           HD1      LYS  61  -4.181   1.796  10.560
  420   2HD   LYS  61           HD2      LYS  61  -2.456   1.990  10.251
  421   1HE   LYS  61           HE1      LYS  61  -2.858   2.610  12.551
  422   2HE   LYS  61           HE2      LYS  61  -2.540   4.095  11.654
  423   1HZ   LYS  61           HZ3      LYS  61  -4.934   4.428  11.454
  424   2HZ   LYS  61           HZ1      LYS  61  -5.218   3.021  12.357
  425   3HZ   LYS  61           HZ2      LYS  61  -4.455   4.354  13.083
  426    H    CYS  62           HN       CYS  62   0.336   3.349   7.188
  427    HA   CYS  62           HA       CYS  62  -1.197   1.608   5.578
  428   1HB   CYS  62           HB1      CYS  62   1.822   1.807   5.816
  429   2HB   CYS  62           HB2      CYS  62   0.970   0.976   4.523
  430    H    ASN  63           HN       ASN  63   1.517   0.739   7.744
  431    HA   ASN  63           HA       ASN  63   0.418  -2.024   7.853
  432   1HB   ASN  63           HB1      ASN  63   2.741  -2.520   8.841
  433   2HB   ASN  63           HB2      ASN  63   2.678  -2.111   7.127
  434   1HD2  ASN  63          HD22      ASN  63   4.561   0.383   9.744
  435   2HD2  ASN  63          HD21      ASN  63   3.747  -1.002  10.294
  436    H    THR  64           HN       THR  64  -1.184  -1.467   9.477
  437    HA   THR  64           HA       THR  64  -0.096  -1.587  12.199
  438    HB   THR  64           HB       THR  64  -2.012   0.550  12.224
  439    HG1  THR  64           HG1      THR  64  -0.174   1.911  11.161
  440   1HG2  THR  64          HG22      THR  64   0.891   0.160  12.939
  441   2HG2  THR  64          HG21      THR  64   0.052   1.683  13.231
  442   3HG2  THR  64          HG23      THR  64  -0.500   0.206  14.022
  443    H    TYR  65           HN       TYR  65  -1.888  -1.892  13.795
  444    HA   TYR  65           HA       TYR  65  -3.629  -3.878  13.252
  445   1HB   TYR  65           HB1      TYR  65  -3.238  -2.701  15.483
  446   2HB   TYR  65           HB2      TYR  65  -4.485  -1.559  14.985
  447    HD1  TYR  65           HD2      TYR  65  -3.806  -5.169  15.619
  448    HD2  TYR  65           HD1      TYR  65  -6.793  -2.119  15.121
  449    HE1  TYR  65           HE2      TYR  65  -5.558  -6.764  16.353
  450    HE2  TYR  65           HE1      TYR  65  -8.545  -3.714  15.857
  451    HH   TYR  65           HH       TYR  65  -8.724  -5.769  17.170
  452    HA   PRO  66           HA       PRO  66  -6.590  -2.148  10.441
  453   1HB   PRO  66           HB1      PRO  66  -8.432  -4.188  10.560
  454   2HB   PRO  66           HB2      PRO  66  -6.916  -4.284   9.648
  455   1HG   PRO  66           HG1      PRO  66  -7.659  -5.572  12.237
  456   2HG   PRO  66           HG2      PRO  66  -6.473  -6.090  11.029
  457   1HD   PRO  66           HD1      PRO  66  -5.934  -4.762  13.488
  458   2HD   PRO  66           HD2      PRO  66  -4.779  -5.053  12.171
   
  No H/Q in entry =         458
  Start of MODEL   13
    1   1H    ARG   1           HT2      ARG   1   1.951  15.282  -0.509
    2   2H    ARG   1           HT3      ARG   1   2.844  15.436  -1.946
    3   3H    ARG   1           HT1      ARG   1   1.172  15.162  -2.015
    4    HA   ARG   1           HA       ARG   1   1.465  12.989  -1.992
    5   1HB   ARG   1           HB1      ARG   1   3.556  12.185  -2.643
    6   2HB   ARG   1           HB2      ARG   1   3.668  13.882  -3.092
    7   1HG   ARG   1           HG1      ARG   1   4.683  12.719  -0.480
    8   2HG   ARG   1           HG2      ARG   1   5.695  13.090  -1.877
    9   1HD   ARG   1           HD1      ARG   1   3.968  15.105  -0.403
   10   2HD   ARG   1           HD2      ARG   1   5.707  14.918  -0.177
   11    HE   ARG   1           HE       ARG   1   4.559  15.636  -2.844
   12   1HH1  ARG   1          HH11      ARG   1   7.539  15.139  -1.835
   13   2HH1  ARG   1          HH12      ARG   1   8.115  16.771  -1.904
   14   1HH2  ARG   1          HH21      ARG   1   4.954  18.155  -2.240
   15   2HH2  ARG   1          HH22      ARG   1   6.652  18.477  -2.133
   16    H    GLU   2           HN       GLU   2   1.231  11.386  -0.462
   17    HA   GLU   2           HA       GLU   2   2.663  11.699   2.122
   18   1HB   GLU   2           HB1      GLU   2  -0.238  12.040   1.676
   19   2HB   GLU   2           HB2      GLU   2   0.193  10.989   3.025
   20   1HG   GLU   2           HG1      GLU   2   0.240  13.043   4.095
   21   2HG   GLU   2           HG2      GLU   2   1.913  12.957   3.540
   22    H    CYS   3           HN       CYS   3   3.757   9.757   1.148
   23    HA   CYS   3           HA       CYS   3   2.386   7.329   2.065
   24   1HB   CYS   3           HB1      CYS   3   3.409   7.506  -0.779
   25   2HB   CYS   3           HB2      CYS   3   2.673   6.098  -0.018
   26    H    TYR   4           HN       TYR   4   5.249   8.832   0.698
   27    HA   TYR   4           HA       TYR   4   7.364   7.182   0.759
   28   1HB   TYR   4           HB1      TYR   4   8.377   8.966   2.532
   29   2HB   TYR   4           HB2      TYR   4   8.198   9.299   0.810
   30    HD1  TYR   4           HD1      TYR   4   5.673   9.051   3.568
   31    HD2  TYR   4           HD2      TYR   4   7.505  11.567   0.604
   32    HE1  TYR   4           HE1      TYR   4   4.064  10.858   4.109
   33    HE2  TYR   4           HE2      TYR   4   5.894  13.374   1.146
   34    HH   TYR   4           HH       TYR   4   4.006  13.381   3.913
   35    H    LEU   5           HN       LEU   5   6.689   5.259   2.093
   36    HA   LEU   5           HA       LEU   5   7.663   5.552   4.787
   37   1HB   LEU   5           HB1      LEU   5   4.867   4.864   4.088
   38   2HB   LEU   5           HB2      LEU   5   5.546   4.445   5.645
   39    HG   LEU   5           HG       LEU   5   5.442   7.245   4.445
   40   1HD1  LEU   5          HD11      LEU   5   3.525   5.684   5.987
   41   2HD1  LEU   5          HD13      LEU   5   4.005   7.143   6.854
   42   3HD1  LEU   5          HD12      LEU   5   3.327   7.265   5.230
   43   1HD2  LEU   5          HD23      LEU   5   6.419   6.164   7.110
   44   2HD2  LEU   5          HD21      LEU   5   7.360   7.031   5.896
   45   3HD2  LEU   5          HD22      LEU   5   6.111   7.875   6.811
   46    H    ASN   6           HN       ASN   6   5.564   3.055   3.460
   47    HA   ASN   6           HA       ASN   6   6.718   0.793   4.402
   48   1HB   ASN   6           HB1      ASN   6   4.962   1.321   2.341
   49   2HB   ASN   6           HB2      ASN   6   6.299   0.529   1.506
   50   1HD2  ASN   6          HD22      ASN   6   4.525  -2.428   2.504
   51   2HD2  ASN   6          HD21      ASN   6   4.749  -1.343   1.218
   52    HA   PRO   7           HA       PRO   7  10.870   0.657   2.967
   53   1HB   PRO   7           HB1      PRO   7  11.315  -2.022   3.430
   54   2HB   PRO   7           HB2      PRO   7  11.292  -0.793   4.707
   55   1HG   PRO   7           HG1      PRO   7   9.231  -2.844   4.001
   56   2HG   PRO   7           HG2      PRO   7   9.565  -2.086   5.566
   57   1HD   PRO   7           HD1      PRO   7   7.455  -1.411   3.795
   58   2HD   PRO   7           HD2      PRO   7   7.997  -0.446   5.185
   59    H    HIS   8           HN       HIS   8   8.273  -0.593   1.344
   60    HA   HIS   8           HA       HIS   8   9.885  -2.019  -0.692
   61   1HB   HIS   8           HB1      HIS   8   6.910  -1.630  -0.853
   62   2HB   HIS   8           HB2      HIS   8   7.886  -2.964  -1.466
   63    HD1  HIS   8           HD1      HIS   8   5.368  -3.102   0.587
   64    HD2  HIS   8           HD2      HIS   8   9.402  -3.546   1.537
   65    HE1  HIS   8           HE1      HIS   8   5.448  -4.513   2.681
   66    H    ASP   9           HN       ASP   9  10.285   0.756  -0.436
   67    HA   ASP   9           HA       ASP   9  10.669   2.482  -2.009
   68   1HB   ASP   9           HB1      ASP   9   9.943   0.427  -3.661
   69   2HB   ASP   9           HB2      ASP   9   8.652   1.590  -3.969
   70    H    THR  10           HN       THR  10   7.245   1.396  -1.822
   71    HA   THR  10           HA       THR  10   5.331   2.641  -1.282
   72    HB   THR  10           HB       THR  10   6.865   5.070  -0.527
   73    HG1  THR  10           HG1      THR  10   8.338   3.808   0.334
   74   1HG2  THR  10          HG22      THR  10   4.431   3.675   0.203
   75   2HG2  THR  10          HG21      THR  10   5.399   4.022   1.635
   76   3HG2  THR  10          HG23      THR  10   4.912   5.331   0.559
   77    H    GLN  11           HN       GLN  11   4.360   4.975  -1.884
   78    HA   GLN  11           HA       GLN  11   5.644   6.193  -4.187
   79   1HB   GLN  11           HB1      GLN  11   4.601   4.403  -5.378
   80   2HB   GLN  11           HB2      GLN  11   3.107   4.580  -4.460
   81   1HG   GLN  11           HG1      GLN  11   2.468   6.496  -5.617
   82   2HG   GLN  11           HG2      GLN  11   4.128   6.919  -6.035
   83   1HE2  GLN  11          HE22      GLN  11   2.500   5.562  -9.113
   84   2HE2  GLN  11          HE21      GLN  11   2.231   6.895  -8.097
   85    H    THR  12           HN       THR  12   5.528   8.126  -3.041
   86    HA   THR  12           HA       THR  12   3.264   9.105  -1.672
   87    HB   THR  12           HB       THR  12   4.457  11.083  -1.423
   88    HG1  THR  12           HG1      THR  12   6.110  10.668  -3.624
   89   1HG2  THR  12          HG21      THR  12   5.784   8.745  -1.086
   90   2HG2  THR  12          HG23      THR  12   6.873   9.566  -2.203
   91   3HG2  THR  12          HG22      THR  12   6.461  10.316  -0.662
   92    H    CYS  13           HN       CYS  13   1.821  10.858  -2.323
   93    HA   CYS  13           HA       CYS  13   1.279  10.862  -5.267
   94   1HB   CYS  13           HB1      CYS  13  -0.398   9.838  -3.550
   95   2HB   CYS  13           HB2      CYS  13  -0.741  11.514  -3.128
   96    HA   PRO  14           HA       PRO  14   2.394  15.160  -4.008
   97   1HB   PRO  14           HB1      PRO  14   4.103  15.576  -6.126
   98   2HB   PRO  14           HB2      PRO  14   4.602  14.885  -4.573
   99   1HG   PRO  14           HG1      PRO  14   4.170  13.533  -7.207
  100   2HG   PRO  14           HG2      PRO  14   5.238  13.069  -5.872
  101   1HD   PRO  14           HD1      PRO  14   2.707  11.929  -6.478
  102   2HD   PRO  14           HD2      PRO  14   3.628  11.695  -4.977
  103    H    SER  15           HN       SER  15   1.808  13.972  -7.347
  104    HA   SER  15           HA       SER  15   0.498  16.559  -7.996
  105   1HB   SER  15           HB1      SER  15   2.159  14.973  -9.477
  106   2HB   SER  15           HB2      SER  15   0.582  14.434 -10.046
  107    HG   SER  15           HG       SER  15   0.518  16.181 -11.167
  108    H    GLY  16           HN       GLY  16  -1.705  16.737  -8.199
  109   1HA   GLY  16           HA1      GLY  16  -3.945  16.087  -7.786
  110   2HA   GLY  16           HA2      GLY  16  -3.587  14.901  -9.044
  111    H    GLN  17           HN       GLN  17  -3.549  15.456  -5.539
  112    HA   GLN  17           HA       GLN  17  -3.672  12.490  -5.209
  113   1HB   GLN  17           HB1      GLN  17  -2.236  12.646  -3.260
  114   2HB   GLN  17           HB2      GLN  17  -1.425  13.397  -4.636
  115   1HG   GLN  17           HG1      GLN  17  -1.222  15.285  -3.421
  116   2HG   GLN  17           HG2      GLN  17  -2.980  15.427  -3.424
  117   1HE2  GLN  17          HE22      GLN  17  -3.297  14.501  -0.033
  118   2HE2  GLN  17          HE21      GLN  17  -4.072  15.023  -1.450
  119    H    GLU  18           HN       GLU  18  -4.916  11.754  -3.472
  120    HA   GLU  18           HA       GLU  18  -6.371  13.754  -1.840
  121   1HB   GLU  18           HB1      GLU  18  -7.654  11.695  -3.655
  122   2HB   GLU  18           HB2      GLU  18  -8.514  12.452  -2.315
  123   1HG   GLU  18           HG1      GLU  18  -7.776  14.697  -3.361
  124   2HG   GLU  18           HG2      GLU  18  -7.391  13.752  -4.800
  125    H    ILE  19           HN       ILE  19  -5.827  10.309  -2.572
  126    HA   ILE  19           HA       ILE  19  -5.692   9.789   0.363
  127    HB   ILE  19           HB       ILE  19  -6.948   7.944  -1.656
  128   1HG1  ILE  19          HG11      ILE  19  -8.007  10.382  -0.499
  129   2HG1  ILE  19          HG12      ILE  19  -8.744   9.315  -1.685
  130   1HG2  ILE  19          HG21      ILE  19  -6.859   8.032   1.373
  131   2HG2  ILE  19          HG22      ILE  19  -7.928   6.955   0.468
  132   3HG2  ILE  19          HG23      ILE  19  -6.175   6.797   0.315
  133   1HD1  ILE  19          HD13      ILE  19  -9.540   7.850   0.158
  134   2HD1  ILE  19          HD11      ILE  19  -8.830   8.960   1.329
  135   3HD1  ILE  19          HD12      ILE  19 -10.169   9.491   0.310
  136    H    CYS  20           HN       CYS  20  -4.534   7.827   0.847
  137    HA   CYS  20           HA       CYS  20  -2.595   7.001  -1.285
  138   1HB   CYS  20           HB1      CYS  20  -1.543   8.432   0.515
  139   2HB   CYS  20           HB2      CYS  20  -2.011   7.207   1.692
  140    H    TYR  21           HN       TYR  21  -3.013   4.853  -1.757
  141    HA   TYR  21           HA       TYR  21  -4.369   3.292   0.384
  142   1HB   TYR  21           HB1      TYR  21  -5.254   1.887  -1.257
  143   2HB   TYR  21           HB2      TYR  21  -5.217   3.439  -2.084
  144    HD1  TYR  21           HD2      TYR  21  -2.136   3.485  -2.498
  145    HD2  TYR  21           HD1      TYR  21  -5.144   0.503  -3.212
  146    HE1  TYR  21           HE2      TYR  21  -0.726   2.487  -4.275
  147    HE2  TYR  21           HE1      TYR  21  -3.730  -0.497  -4.987
  148    HH   TYR  21           HH       TYR  21  -1.820   0.451  -6.565
  149    H    VAL  22           HN       VAL  22  -3.614   1.121   0.885
  150    HA   VAL  22           HA       VAL  22  -0.719   0.761   0.226
  151    HB   VAL  22           HB       VAL  22  -0.258   0.096   2.484
  152   1HG1  VAL  22          HG11      VAL  22  -2.089   2.517   2.446
  153   2HG1  VAL  22          HG13      VAL  22  -1.029   2.100   3.791
  154   3HG1  VAL  22          HG12      VAL  22  -0.339   2.519   2.223
  155   1HG2  VAL  22          HG22      VAL  22  -3.242  -0.057   2.657
  156   2HG2  VAL  22          HG21      VAL  22  -2.029  -1.208   3.218
  157   3HG2  VAL  22          HG23      VAL  22  -2.321   0.278   4.123
  158    H    LYS  23           HN       LYS  23  -0.742  -0.959  -1.146
  159    HA   LYS  23           HA       LYS  23  -2.598  -3.212  -0.554
  160   1HB   LYS  23           HB1      LYS  23  -2.509  -2.131  -2.866
  161   2HB   LYS  23           HB2      LYS  23  -0.904  -2.843  -3.033
  162   1HG   LYS  23           HG1      LYS  23  -1.730  -4.984  -3.194
  163   2HG   LYS  23           HG2      LYS  23  -3.091  -4.652  -2.123
  164   1HD   LYS  23           HD1      LYS  23  -4.119  -4.877  -4.229
  165   2HD   LYS  23           HD2      LYS  23  -3.935  -3.130  -4.067
  166   1HE   LYS  23           HE1      LYS  23  -2.385  -3.018  -5.735
  167   2HE   LYS  23           HE2      LYS  23  -1.606  -4.521  -5.240
  168   1HZ   LYS  23           HZ1      LYS  23  -3.429  -5.753  -6.237
  169   2HZ   LYS  23           HZ2      LYS  23  -4.175  -4.303  -6.715
  170   3HZ   LYS  23           HZ3      LYS  23  -2.681  -4.755  -7.387
  171    H    SER  24           HN       SER  24  -1.781  -5.095   0.251
  172    HA   SER  24           HA       SER  24   1.154  -5.538  -0.017
  173   1HB   SER  24           HB1      SER  24  -0.552  -5.653   2.471
  174   2HB   SER  24           HB2      SER  24   0.984  -6.508   2.366
  175    HG   SER  24           HG       SER  24   1.044  -4.291   3.213
  176    H    TRP  25           HN       TRP  25   1.064  -7.263  -1.460
  177    HA   TRP  25           HA       TRP  25  -0.494  -9.643  -0.500
  178   1HB   TRP  25           HB1      TRP  25  -0.920 -10.238  -2.819
  179   2HB   TRP  25           HB2      TRP  25  -1.458  -8.578  -2.549
  180    HD1  TRP  25           HD1      TRP  25   1.004 -10.608  -4.534
  181    HE1  TRP  25           HE1      TRP  25   2.343  -9.020  -6.071
  182    HE3  TRP  25           HE3      TRP  25  -0.430  -6.184  -2.568
  183    HZ2  TRP  25           HZ2      TRP  25   2.751  -6.176  -6.382
  184    HZ3  TRP  25           HZ3      TRP  25   0.426  -4.079  -3.434
  185    HH2  TRP  25           HH2      TRP  25   2.017  -4.031  -5.352
  186    H    CYS  26           HN       CYS  26   0.523 -11.663  -0.759
  187    HA   CYS  26           HA       CYS  26   3.265 -11.719  -1.887
  188   1HB   CYS  26           HB1      CYS  26   4.030 -11.430   0.259
  189   2HB   CYS  26           HB2      CYS  26   2.532 -11.990   0.986
  190    H    ASN  27           HN       ASN  27   4.001 -14.061  -2.072
  191    HA   ASN  27           HA       ASN  27   1.628 -15.793  -2.601
  192   1HB   ASN  27           HB1      ASN  27   4.041 -15.202  -4.099
  193   2HB   ASN  27           HB2      ASN  27   3.904 -16.936  -3.801
  194   1HD2  ASN  27          HD22      ASN  27   1.956 -16.266  -6.887
  195   2HD2  ASN  27          HD21      ASN  27   3.589 -16.214  -6.427
  196    H    ALA  28           HN       ALA  28   2.942 -18.257  -2.718
  197    HA   ALA  28           HA       ALA  28   3.431 -18.700   0.153
  198   1HB   ALA  28           HB1      ALA  28   2.026 -20.170  -1.551
  199   2HB   ALA  28           HB3      ALA  28   3.600 -20.897  -1.870
  200   3HB   ALA  28           HB2      ALA  28   2.929 -20.928  -0.240
  201    H    TRP  29           HN       TRP  29   5.438 -17.354  -1.696
  202    HA   TRP  29           HA       TRP  29   7.705 -19.208  -1.112
  203   1HB   TRP  29           HB1      TRP  29   7.438 -17.393  -3.491
  204   2HB   TRP  29           HB2      TRP  29   8.750 -18.501  -3.159
  205    HD1  TRP  29           HD1      TRP  29   4.871 -18.881  -3.239
  206    HE1  TRP  29           HE1      TRP  29   4.357 -21.053  -4.549
  207    HE3  TRP  29           HE3      TRP  29   9.579 -20.312  -4.318
  208    HZ2  TRP  29           HZ2      TRP  29   5.816 -23.149  -5.895
  209    HZ3  TRP  29           HZ3      TRP  29  10.046 -22.398  -5.616
  210    HH2  TRP  29           HH2      TRP  29   8.159 -23.815  -6.400
  211    H    CYS  30           HN       CYS  30   6.417 -16.316  -0.156
  212    HA   CYS  30           HA       CYS  30   8.700 -14.581  -0.297
  213   1HB   CYS  30           HB1      CYS  30   6.502 -14.467   1.765
  214   2HB   CYS  30           HB2      CYS  30   7.493 -13.151   1.160
  215    H    SER  31           HN       SER  31   8.807 -17.449   1.186
  216    HA   SER  31           HA       SER  31   9.329 -17.188   3.879
  217   1HB   SER  31           HB1      SER  31   9.810 -19.152   2.074
  218   2HB   SER  31           HB2      SER  31  11.459 -18.608   2.371
  219    HG   SER  31           HG       SER  31  10.611 -18.686   4.711
  220    H    SER  32           HN       SER  32  10.112 -15.140   4.443
  221    HA   SER  32           HA       SER  32  11.640 -13.358   4.590
  222   1HB   SER  32           HB1      SER  32  13.781 -15.448   4.586
  223   2HB   SER  32           HB2      SER  32  13.643 -14.001   5.579
  224    HG   SER  32           HG       SER  32  11.995 -16.300   5.751
  225    H    ARG  33           HN       ARG  33  11.180 -12.847   2.353
  226    HA   ARG  33           HA       ARG  33  13.679 -12.900   0.752
  227   1HB   ARG  33           HB1      ARG  33  11.691 -14.647   0.111
  228   2HB   ARG  33           HB2      ARG  33  11.216 -13.247  -0.851
  229   1HG   ARG  33           HG1      ARG  33  13.179 -13.282  -2.110
  230   2HG   ARG  33           HG2      ARG  33  14.087 -14.128  -0.856
  231   1HD   ARG  33           HD1      ARG  33  12.231 -16.008  -1.378
  232   2HD   ARG  33           HD2      ARG  33  12.272 -15.217  -2.954
  233    HE   ARG  33           HE       ARG  33  14.451 -16.777  -1.748
  234   1HH1  ARG  33          HH21      ARG  33  15.270 -13.986  -2.865
  235   2HH1  ARG  33          HH22      ARG  33  15.811 -14.444  -4.447
  236   1HH2  ARG  33          HH11      ARG  33  14.358 -17.589  -4.322
  237   2HH2  ARG  33          HH12      ARG  33  15.295 -16.484  -5.270
  238    H    GLY  34           HN       GLY  34  10.354 -11.831  -0.029
  239   1HA   GLY  34           HA1      GLY  34  10.557  -9.124   0.615
  240   2HA   GLY  34           HA2      GLY  34  11.332  -9.271  -0.963
  241    H    LYS  35           HN       LYS  35   8.298  -9.917   0.776
  242    HA   LYS  35           HA       LYS  35   6.620 -10.767  -1.272
  243   1HB   LYS  35           HB1      LYS  35   5.881  -8.606   0.723
  244   2HB   LYS  35           HB2      LYS  35   4.792  -9.756  -0.053
  245   1HG   LYS  35           HG1      LYS  35   5.140 -11.147   1.691
  246   2HG   LYS  35           HG2      LYS  35   6.813 -11.311   1.157
  247   1HD   LYS  35           HD1      LYS  35   7.581  -9.695   2.658
  248   2HD   LYS  35           HD2      LYS  35   6.005  -8.914   2.779
  249   1HE   LYS  35           HE1      LYS  35   5.145 -10.926   3.979
  250   2HE   LYS  35           HE2      LYS  35   6.764 -11.621   3.921
  251   1HZ   LYS  35           HZ2      LYS  35   7.584  -9.696   5.145
  252   2HZ   LYS  35           HZ3      LYS  35   6.010  -9.064   5.228
  253   3HZ   LYS  35           HZ1      LYS  35   6.381 -10.516   6.021
  254    H    VAL  36           HN       VAL  36   4.953  -9.358  -2.468
  255    HA   VAL  36           HA       VAL  36   6.393  -7.072  -3.735
  256    HB   VAL  36           HB       VAL  36   3.826  -7.905  -4.916
  257   1HG1  VAL  36          HG11      VAL  36   5.719  -6.405  -5.847
  258   2HG1  VAL  36          HG13      VAL  36   6.557  -7.918  -6.191
  259   3HG1  VAL  36          HG12      VAL  36   4.996  -7.585  -6.940
  260   1HG2  VAL  36          HG23      VAL  36   6.046  -9.883  -4.471
  261   2HG2  VAL  36          HG22      VAL  36   4.301 -10.137  -4.402
  262   3HG2  VAL  36          HG21      VAL  36   5.105  -9.954  -5.962
  263    H    LEU  37           HN       LEU  37   5.796  -5.962  -1.623
  264    HA   LEU  37           HA       LEU  37   2.960  -5.092  -1.531
  265   1HB   LEU  37           HB1      LEU  37   5.240  -5.217   0.425
  266   2HB   LEU  37           HB2      LEU  37   3.809  -4.258   0.761
  267    HG   LEU  37           HG       LEU  37   2.494  -6.106   1.072
  268   1HD1  LEU  37          HD13      LEU  37   2.853  -6.924  -1.292
  269   2HD1  LEU  37          HD12      LEU  37   4.286  -7.772  -0.720
  270   3HD1  LEU  37          HD11      LEU  37   2.693  -8.221  -0.111
  271   1HD2  LEU  37          HD22      LEU  37   5.306  -6.773   1.719
  272   2HD2  LEU  37          HD23      LEU  37   3.906  -6.636   2.782
  273   3HD2  LEU  37          HD21      LEU  37   4.133  -8.086   1.806
  274    H    GLU  38           HN       GLU  38   2.491  -3.027  -2.194
  275    HA   GLU  38           HA       GLU  38   4.553  -0.931  -1.838
  276   1HB   GLU  38           HB1      GLU  38   3.719  -0.148  -4.257
  277   2HB   GLU  38           HB2      GLU  38   5.105  -1.217  -4.044
  278   1HG   GLU  38           HG1      GLU  38   2.508  -2.612  -4.112
  279   2HG   GLU  38           HG2      GLU  38   2.918  -1.784  -5.615
  280    H    PHE  39           HN       PHE  39   3.671   1.150  -1.600
  281    HA   PHE  39           HA       PHE  39   0.709   1.244  -1.411
  282   1HB   PHE  39           HB1      PHE  39   2.714   2.972   0.066
  283   2HB   PHE  39           HB2      PHE  39   0.970   2.943   0.315
  284    HD1  PHE  39           HD1      PHE  39   1.026  -0.245  -0.201
  285    HD2  PHE  39           HD2      PHE  39   2.995   2.451   2.508
  286    HE1  PHE  39           HE1      PHE  39   1.290  -2.087   1.441
  287    HE2  PHE  39           HE2      PHE  39   3.259   0.609   4.148
  288    HZ   PHE  39           HZ       PHE  39   2.407  -1.660   3.616
  289    H    GLY  40           HN       GLY  40  -0.321   3.119  -2.350
  290   1HA   GLY  40           HA1      GLY  40   1.457   5.036  -3.740
  291   2HA   GLY  40           HA2      GLY  40   0.350   4.096  -4.735
  292    H    CYS  41           HN       CYS  41  -0.942   5.806  -5.395
  293    HA   CYS  41           HA       CYS  41  -2.172   7.560  -3.356
  294   1HB   CYS  41           HB1      CYS  41  -1.161   8.233  -5.687
  295   2HB   CYS  41           HB2      CYS  41  -2.697   7.679  -6.313
  296    H    ALA  42           HN       ALA  42  -4.573   8.041  -4.144
  297    HA   ALA  42           HA       ALA  42  -6.194   6.050  -5.294
  298   1HB   ALA  42           HB1      ALA  42  -5.121   5.170  -2.845
  299   2HB   ALA  42           HB3      ALA  42  -6.800   5.588  -2.504
  300   3HB   ALA  42           HB2      ALA  42  -6.421   4.416  -3.766
  301    H    ALA  43           HN       ALA  43  -8.527   6.189  -4.387
  302    HA   ALA  43           HA       ALA  43  -9.086   9.032  -3.727
  303   1HB   ALA  43           HB2      ALA  43 -10.333   7.050  -5.538
  304   2HB   ALA  43           HB1      ALA  43 -11.457   8.067  -4.637
  305   3HB   ALA  43           HB3      ALA  43 -10.243   8.806  -5.681
  306    H    THR  44           HN       THR  44  -9.983   5.674  -2.972
  307    HA   THR  44           HA       THR  44 -10.762   6.513  -0.278
  308    HB   THR  44           HB       THR  44 -12.850   6.922  -1.495
  309    HG1  THR  44           HG1      THR  44 -13.795   6.071   0.153
  310   1HG2  THR  44          HG22      THR  44 -12.207   5.259  -3.342
  311   2HG2  THR  44          HG21      THR  44 -12.844   4.007  -2.275
  312   3HG2  THR  44          HG23      THR  44 -13.903   5.290  -2.859
  313    H    CYS  45           HN       CYS  45 -10.712   4.775   1.170
  314    HA   CYS  45           HA       CYS  45  -9.035   2.704   0.901
  315   1HB   CYS  45           HB1      CYS  45 -10.396   3.454   2.921
  316   2HB   CYS  45           HB2      CYS  45 -11.653   2.373   2.332
  317    HA   PRO  46           HA       PRO  46 -11.356   0.368  -2.235
  318   1HB   PRO  46           HB1      PRO  46  -9.146  -0.933  -3.234
  319   2HB   PRO  46           HB2      PRO  46  -9.654   0.684  -3.749
  320   1HG   PRO  46           HG1      PRO  46  -7.375  -0.122  -2.002
  321   2HG   PRO  46           HG2      PRO  46  -7.569   1.336  -2.987
  322   1HD   PRO  46           HD1      PRO  46  -7.937   1.109  -0.168
  323   2HD   PRO  46           HD2      PRO  46  -8.344   2.508  -1.182
  324    H    SER  47           HN       SER  47 -11.497  -2.069  -2.629
  325    HA   SER  47           HA       SER  47 -10.506  -3.660  -0.310
  326   1HB   SER  47           HB1      SER  47 -12.643  -4.600   0.123
  327   2HB   SER  47           HB2      SER  47 -12.940  -2.872  -0.047
  328    HG   SER  47           HG       SER  47 -14.423  -3.968  -1.299
  329    H    VAL  48           HN       VAL  48  -8.969  -4.490  -1.919
  330    HA   VAL  48           HA       VAL  48 -10.225  -6.284  -3.939
  331    HB   VAL  48           HB       VAL  48  -7.561  -4.944  -3.826
  332   1HG1  VAL  48          HG11      VAL  48  -8.314  -7.483  -5.114
  333   2HG1  VAL  48          HG13      VAL  48  -7.534  -6.321  -6.186
  334   3HG1  VAL  48          HG12      VAL  48  -6.713  -6.858  -4.721
  335   1HG2  VAL  48          HG22      VAL  48 -10.056  -4.495  -5.165
  336   2HG2  VAL  48          HG21      VAL  48  -8.592  -3.512  -5.222
  337   3HG2  VAL  48          HG23      VAL  48  -8.811  -4.835  -6.367
  338    H    ASN  49           HN       ASN  49 -10.551  -8.121  -2.625
  339    HA   ASN  49           HA       ASN  49  -8.376  -9.121  -0.977
  340   1HB   ASN  49           HB1      ASN  49 -10.685  -9.344  -0.188
  341   2HB   ASN  49           HB2      ASN  49 -11.087 -10.307  -1.611
  342   1HD2  ASN  49          HD22      ASN  49  -8.291 -12.134   0.769
  343   2HD2  ASN  49          HD21      ASN  49  -8.029 -10.549   0.221
  344    H    THR  50           HN       THR  50  -8.295  -9.046  -4.074
  345    HA   THR  50           HA       THR  50  -8.282 -11.810  -4.929
  346    HB   THR  50           HB       THR  50  -8.488  -9.912  -6.520
  347    HG1  THR  50           HG1      THR  50  -7.327 -12.056  -6.923
  348   1HG2  THR  50          HG22      THR  50  -6.492  -8.763  -5.056
  349   2HG2  THR  50          HG21      THR  50  -5.590  -9.346  -6.456
  350   3HG2  THR  50          HG23      THR  50  -6.950  -8.244  -6.678
  351    H    GLY  51           HN       GLY  51  -7.001 -12.822  -3.211
  352   1HA   GLY  51           HA1      GLY  51  -4.990 -13.492  -2.176
  353   2HA   GLY  51           HA2      GLY  51  -4.333 -13.371  -3.811
  354    H    THR  52           HN       THR  52  -5.687 -10.544  -2.318
  355    HA   THR  52           HA       THR  52  -3.000  -9.554  -1.526
  356    HB   THR  52           HB       THR  52  -4.879  -8.252  -3.517
  357    HG1  THR  52           HG1      THR  52  -2.767  -8.173  -4.630
  358   1HG2  THR  52          HG23      THR  52  -3.011  -7.062  -1.597
  359   2HG2  THR  52          HG22      THR  52  -2.667  -6.610  -3.266
  360   3HG2  THR  52          HG21      THR  52  -4.259  -6.291  -2.577
  361    H    GLU  53           HN       GLU  53  -3.121  -7.887   0.085
  362    HA   GLU  53           HA       GLU  53  -5.860  -7.520   1.209
  363   1HB   GLU  53           HB1      GLU  53  -4.667  -7.116   3.394
  364   2HB   GLU  53           HB2      GLU  53  -4.492  -8.756   2.771
  365   1HG   GLU  53           HG1      GLU  53  -2.255  -8.513   2.453
  366   2HG   GLU  53           HG2      GLU  53  -2.436  -6.884   1.805
  367    H    ILE  54           HN       ILE  54  -6.555  -5.499   0.599
  368    HA   ILE  54           HA       ILE  54  -4.548  -3.336   0.400
  369    HB   ILE  54           HB       ILE  54  -7.007  -3.999  -0.964
  370   1HG1  ILE  54          HG11      ILE  54  -4.766  -3.339  -1.912
  371   2HG1  ILE  54          HG12      ILE  54  -6.130  -2.463  -2.606
  372   1HG2  ILE  54          HG23      ILE  54  -6.904  -1.275   0.349
  373   2HG2  ILE  54          HG22      ILE  54  -7.900  -1.625  -1.063
  374   3HG2  ILE  54          HG21      ILE  54  -8.193  -2.470   0.458
  375   1HD1  ILE  54          HD11      ILE  54  -4.392  -1.438  -0.341
  376   2HD1  ILE  54          HD12      ILE  54  -4.224  -0.960  -2.029
  377   3HD1  ILE  54          HD13      ILE  54  -5.693  -0.556  -1.140
  378    H    LYS  55           HN       LYS  55  -5.028  -1.265   1.457
  379    HA   LYS  55           HA       LYS  55  -6.967  -1.353   3.678
  380   1HB   LYS  55           HB1      LYS  55  -4.006  -1.454   3.999
  381   2HB   LYS  55           HB2      LYS  55  -4.901  -0.408   5.102
  382   1HG   LYS  55           HG1      LYS  55  -6.280  -2.923   4.815
  383   2HG   LYS  55           HG2      LYS  55  -4.596  -3.222   5.250
  384   1HD   LYS  55           HD1      LYS  55  -5.120  -2.688   7.377
  385   2HD   LYS  55           HD2      LYS  55  -5.433  -1.038   6.835
  386   1HE   LYS  55           HE1      LYS  55  -7.638  -1.312   7.200
  387   2HE   LYS  55           HE2      LYS  55  -7.665  -2.705   6.119
  388   1HZ   LYS  55           HZ1      LYS  55  -6.426  -3.527   8.458
  389   2HZ   LYS  55           HZ2      LYS  55  -7.799  -2.649   8.936
  390   3HZ   LYS  55           HZ3      LYS  55  -7.959  -3.978   7.889
  391    H    CYS  56           HN       CYS  56  -6.844   0.852   4.869
  392    HA   CYS  56           HA       CYS  56  -6.650   2.949   2.766
  393   1HB   CYS  56           HB1      CYS  56  -7.760   3.836   5.315
  394   2HB   CYS  56           HB2      CYS  56  -8.479   3.895   3.710
  395    H    CYS  57           HN       CYS  57  -5.081   4.491   2.900
  396    HA   CYS  57           HA       CYS  57  -3.733   4.923   5.513
  397   1HB   CYS  57           HB1      CYS  57  -2.433   3.209   4.290
  398   2HB   CYS  57           HB2      CYS  57  -2.283   4.310   2.923
  399    H    SER  58           HN       SER  58  -2.968   7.020   5.767
  400    HA   SER  58           HA       SER  58  -3.149   8.786   3.394
  401   1HB   SER  58           HB1      SER  58  -5.200   9.001   4.846
  402   2HB   SER  58           HB2      SER  58  -4.145   9.574   6.135
  403    HG   SER  58           HG       SER  58  -5.143  11.214   4.719
  404    H    ALA  59           HN       ALA  59  -1.361   7.691   5.985
  405    HA   ALA  59           HA       ALA  59   0.784   9.566   5.392
  406   1HB   ALA  59           HB3      ALA  59  -0.593   9.694   8.091
  407   2HB   ALA  59           HB2      ALA  59   0.940  10.477   7.706
  408   3HB   ALA  59           HB1      ALA  59  -0.539  10.981   6.886
  409    H    ASP  60           HN       ASP  60   1.031   8.673   8.607
  410    HA   ASP  60           HA       ASP  60   2.674   6.317   7.883
  411   1HB   ASP  60           HB1      ASP  60   3.770   7.984   9.318
  412   2HB   ASP  60           HB2      ASP  60   2.436   7.897  10.469
  413    H    LYS  61           HN       LYS  61  -0.183   6.260   7.757
  414    HA   LYS  61           HA       LYS  61  -0.882   4.513  10.044
  415   1HB   LYS  61           HB1      LYS  61  -2.461   6.296   9.884
  416   2HB   LYS  61           HB2      LYS  61  -2.569   6.126   8.132
  417   1HG   LYS  61           HG1      LYS  61  -3.867   4.187   8.272
  418   2HG   LYS  61           HG2      LYS  61  -3.292   3.802   9.895
  419   1HD   LYS  61           HD1      LYS  61  -5.465   4.597  10.300
  420   2HD   LYS  61           HD2      LYS  61  -4.478   6.035  10.567
  421   1HE   LYS  61           HE1      LYS  61  -6.098   6.891   9.137
  422   2HE   LYS  61           HE2      LYS  61  -4.877   6.384   7.969
  423   1HZ   LYS  61           HZ1      LYS  61  -6.124   4.170   7.996
  424   2HZ   LYS  61           HZ2      LYS  61  -7.399   5.040   8.706
  425   3HZ   LYS  61           HZ3      LYS  61  -6.830   5.466   7.162
  426    H    CYS  62           HN       CYS  62   0.268   4.318   6.982
  427    HA   CYS  62           HA       CYS  62  -1.338   2.502   5.583
  428   1HB   CYS  62           HB1      CYS  62   1.684   2.602   5.800
  429   2HB   CYS  62           HB2      CYS  62   0.820   1.611   4.629
  430    H    ASN  63           HN       ASN  63   0.997   1.810   8.183
  431    HA   ASN  63           HA       ASN  63   0.046  -1.003   8.183
  432   1HB   ASN  63           HB1      ASN  63   2.028  -1.292   9.794
  433   2HB   ASN  63           HB2      ASN  63   2.421  -0.935   8.113
  434   1HD2  ASN  63          HD22      ASN  63   4.466   1.649   9.441
  435   2HD2  ASN  63          HD21      ASN  63   4.442   0.144   8.657
  436    H    THR  64           HN       THR  64   1.393  -0.185  11.173
  437    HA   THR  64           HA       THR  64   0.360  -0.191  13.293
  438    HB   THR  64           HB       THR  64  -1.657   1.728  12.892
  439    HG1  THR  64           HG1      THR  64  -1.057   2.747  11.173
  440   1HG2  THR  64          HG21      THR  64   0.528   1.281  14.470
  441   2HG2  THR  64          HG23      THR  64   1.068   2.660  13.511
  442   3HG2  THR  64          HG22      THR  64  -0.408   2.775  14.469
  443    H    TYR  65           HN       TYR  65  -0.595  -2.384  12.750
  444    HA   TYR  65           HA       TYR  65  -3.045  -2.881  11.640
  445   1HB   TYR  65           HB1      TYR  65  -1.373  -4.528  12.739
  446   2HB   TYR  65           HB2      TYR  65  -2.307  -4.253  14.208
  447    HD1  TYR  65           HD1      TYR  65  -2.844  -5.003  10.571
  448    HD2  TYR  65           HD2      TYR  65  -4.158  -5.606  14.618
  449    HE1  TYR  65           HE1      TYR  65  -4.575  -6.591   9.773
  450    HE2  TYR  65           HE2      TYR  65  -5.890  -7.194  13.819
  451    HH   TYR  65           HH       TYR  65  -7.165  -7.547  11.578
  452    HA   PRO  66           HA       PRO  66  -5.259  -1.767  15.719
  453   1HB   PRO  66           HB1      PRO  66  -3.782  -0.462  17.639
  454   2HB   PRO  66           HB2      PRO  66  -3.963  -2.224  17.565
  455   1HG   PRO  66           HG1      PRO  66  -1.616  -0.522  16.844
  456   2HG   PRO  66           HG2      PRO  66  -1.653  -2.213  17.368
  457   1HD   PRO  66           HD1      PRO  66  -1.351  -1.265  14.704
  458   2HD   PRO  66           HD2      PRO  66  -1.648  -2.942  15.195
   
  No H/Q in entry =         458
  Start of MODEL   14
    1   1H    ARG   1           HT3      ARG   1   1.802  15.069  -1.026
    2   2H    ARG   1           HT1      ARG   1   2.226  15.455  -2.622
    3   3H    ARG   1           HT2      ARG   1   1.149  14.178  -2.317
    4    HA   ARG   1           HA       ARG   1   3.069  13.021  -2.708
    5   1HB   ARG   1           HB1      ARG   1   4.241  15.556  -2.133
    6   2HB   ARG   1           HB2      ARG   1   5.041  14.353  -1.122
    7   1HG   ARG   1           HG1      ARG   1   5.941  13.251  -2.921
    8   2HG   ARG   1           HG2      ARG   1   4.545  13.578  -3.950
    9   1HD   ARG   1           HD1      ARG   1   5.276  15.849  -4.330
   10   2HD   ARG   1           HD2      ARG   1   6.547  15.697  -3.116
   11    HE   ARG   1           HE       ARG   1   6.575  14.420  -5.803
   12   1HH1  ARG   1          HH11      ARG   1   8.106  12.506  -4.632
   13   2HH1  ARG   1          HH12      ARG   1   9.660  13.199  -4.307
   14   1HH2  ARG   1          HH21      ARG   1   8.552  16.473  -4.582
   15   2HH2  ARG   1          HH22      ARG   1   9.912  15.445  -4.278
   16    H    GLU   2           HN       GLU   2   1.728  11.714  -1.218
   17    HA   GLU   2           HA       GLU   2   2.843  11.651   1.559
   18   1HB   GLU   2           HB1      GLU   2   0.107  11.414   0.498
   19   2HB   GLU   2           HB2      GLU   2   0.537  10.135   1.635
   20   1HG   GLU   2           HG1      GLU   2  -0.082  11.691   3.194
   21   2HG   GLU   2           HG2      GLU   2   1.552  12.300   2.929
   22    H    CYS   3           HN       CYS   3   2.753   9.317   2.476
   23    HA   CYS   3           HA       CYS   3   3.124   6.983   2.233
   24   1HB   CYS   3           HB1      CYS   3   3.377   7.331  -0.752
   25   2HB   CYS   3           HB2      CYS   3   2.919   5.886   0.148
   26    H    TYR   4           HN       TYR   4   4.851   8.933  -0.153
   27    HA   TYR   4           HA       TYR   4   7.117   8.950  -0.749
   28   1HB   TYR   4           HB1      TYR   4   8.436   9.022   1.669
   29   2HB   TYR   4           HB2      TYR   4   7.729  10.418   0.859
   30    HD1  TYR   4           HD1      TYR   4   5.260  10.988   1.371
   31    HD2  TYR   4           HD2      TYR   4   7.585   8.280   3.764
   32    HE1  TYR   4           HE1      TYR   4   3.650  11.257   3.239
   33    HE2  TYR   4           HE2      TYR   4   5.974   8.550   5.633
   34    HH   TYR   4           HH       TYR   4   2.989  10.403   5.233
   35    H    LEU   5           HN       LEU   5   7.828   7.172   2.247
   36    HA   LEU   5           HA       LEU   5   8.347   4.864   0.627
   37   1HB   LEU   5           HB1      LEU   5  10.574   5.808   2.304
   38   2HB   LEU   5           HB2      LEU   5  10.582   4.635   1.000
   39    HG   LEU   5           HG       LEU   5   9.819   7.478   0.468
   40   1HD1  LEU   5          HD11      LEU   5  12.626   6.341   0.480
   41   2HD1  LEU   5          HD13      LEU   5  12.175   7.936  -0.122
   42   3HD1  LEU   5          HD12      LEU   5  12.008   7.562   1.594
   43   1HD2  LEU   5          HD21      LEU   5   9.704   5.289  -1.093
   44   2HD2  LEU   5          HD22      LEU   5  10.046   6.893  -1.741
   45   3HD2  LEU   5          HD23      LEU   5  11.370   5.775  -1.410
   46    H    ASN   6           HN       ASN   6   6.642   3.992   1.988
   47    HA   ASN   6           HA       ASN   6   6.889   3.719   4.826
   48   1HB   ASN   6           HB1      ASN   6   5.626   1.582   3.116
   49   2HB   ASN   6           HB2      ASN   6   5.069   2.245   4.653
   50   1HD2  ASN   6          HD22      ASN   6   3.581   3.767   1.293
   51   2HD2  ASN   6          HD21      ASN   6   4.379   2.273   1.388
   52    HA   PRO   7           HA       PRO   7   9.767   0.355   5.078
   53   1HB   PRO   7           HB1      PRO   7   8.524  -1.961   5.895
   54   2HB   PRO   7           HB2      PRO   7   8.870  -0.587   6.957
   55   1HG   PRO   7           HG1      PRO   7   6.272  -1.471   5.783
   56   2HG   PRO   7           HG2      PRO   7   6.576  -0.547   7.263
   57   1HD   PRO   7           HD1      PRO   7   5.719   0.487   4.759
   58   2HD   PRO   7           HD2      PRO   7   6.278   1.441   6.150
   59    H    HIS   8           HN       HIS   8   8.439   0.531   2.361
   60    HA   HIS   8           HA       HIS   8   9.837  -1.389   0.966
   61   1HB   HIS   8           HB1      HIS   8   7.912  -3.069   0.462
   62   2HB   HIS   8           HB2      HIS   8   8.840  -3.255   1.948
   63    HD1  HIS   8           HD1      HIS   8   6.382  -4.523   2.475
   64    HD2  HIS   8           HD2      HIS   8   6.487  -0.355   2.532
   65    HE1  HIS   8           HE1      HIS   8   4.329  -3.776   3.758
   66    H    ASP   9           HN       ASP   9   9.824  -0.549  -1.035
   67    HA   ASP   9           HA       ASP   9   9.084   0.376  -3.047
   68   1HB   ASP   9           HB1      ASP   9   6.630  -0.981  -1.995
   69   2HB   ASP   9           HB2      ASP   9   6.531  -0.003  -3.462
   70    H    THR  10           HN       THR  10   5.865   1.129  -2.136
   71    HA   THR  10           HA       THR  10   4.877   3.096  -1.284
   72    HB   THR  10           HB       THR  10   7.458   4.621  -1.355
   73    HG1  THR  10           HG1      THR  10   6.772   2.490   0.380
   74   1HG2  THR  10          HG23      THR  10   4.961   4.518   0.301
   75   2HG2  THR  10          HG22      THR  10   6.413   5.300   0.908
   76   3HG2  THR  10          HG21      THR  10   5.664   5.878  -0.570
   77    H    GLN  11           HN       GLN  11   4.749   5.498  -2.130
   78    HA   GLN  11           HA       GLN  11   5.825   6.235  -4.636
   79   1HB   GLN  11           HB1      GLN  11   4.639   4.456  -5.689
   80   2HB   GLN  11           HB2      GLN  11   3.192   4.753  -4.726
   81   1HG   GLN  11           HG1      GLN  11   2.553   6.572  -6.003
   82   2HG   GLN  11           HG2      GLN  11   4.213   6.982  -6.438
   83   1HE2  GLN  11          HE22      GLN  11   2.595   5.499  -9.460
   84   2HE2  GLN  11          HE21      GLN  11   2.327   6.874  -8.502
   85    H    THR  12           HN       THR  12   5.799   8.360  -3.995
   86    HA   THR  12           HA       THR  12   3.871   9.598  -2.391
   87    HB   THR  12           HB       THR  12   4.961  11.622  -2.851
   88    HG1  THR  12           HG1      THR  12   5.167  10.495  -5.374
   89   1HG2  THR  12          HG22      THR  12   6.461   9.283  -2.475
   90   2HG2  THR  12          HG21      THR  12   7.329  10.189  -3.715
   91   3HG2  THR  12          HG23      THR  12   6.986  10.936  -2.154
   92    H    CYS  13           HN       CYS  13   2.152  11.050  -2.886
   93    HA   CYS  13           HA       CYS  13   1.095  10.845  -5.677
   94   1HB   CYS  13           HB1      CYS  13  -0.213   9.518  -3.955
   95   2HB   CYS  13           HB2      CYS  13  -0.571  11.044  -3.156
   96    HA   PRO  14           HA       PRO  14   1.571  15.274  -4.497
   97   1HB   PRO  14           HB1      PRO  14   2.964  15.966  -6.769
   98   2HB   PRO  14           HB2      PRO  14   3.734  15.391  -5.280
   99   1HG   PRO  14           HG1      PRO  14   3.304  13.965  -7.871
  100   2HG   PRO  14           HG2      PRO  14   4.549  13.698  -6.641
  101   1HD   PRO  14           HD1      PRO  14   2.191  12.149  -7.034
  102   2HD   PRO  14           HD2      PRO  14   3.296  12.050  -5.646
  103    H    SER  15           HN       SER  15  -0.880  14.643  -5.207
  104    HA   SER  15           HA       SER  15  -1.458  16.343  -7.581
  105   1HB   SER  15           HB1      SER  15  -1.601  13.597  -7.734
  106   2HB   SER  15           HB2      SER  15  -3.253  14.028  -7.302
  107    HG   SER  15           HG       SER  15  -3.389  15.347  -9.063
  108    H    GLY  16           HN       GLY  16  -4.194  16.219  -7.584
  109   1HA   GLY  16           HA1      GLY  16  -4.938  17.856  -5.369
  110   2HA   GLY  16           HA2      GLY  16  -6.077  17.071  -6.466
  111    H    GLN  17           HN       GLN  17  -6.849  14.949  -5.908
  112    HA   GLN  17           HA       GLN  17  -7.077  14.467  -3.064
  113   1HB   GLN  17           HB1      GLN  17  -8.282  12.421  -3.738
  114   2HB   GLN  17           HB2      GLN  17  -8.851  13.810  -4.663
  115   1HG   GLN  17           HG1      GLN  17  -6.738  12.877  -6.189
  116   2HG   GLN  17           HG2      GLN  17  -7.467  11.390  -5.582
  117   1HE2  GLN  17          HE22      GLN  17  -9.526  11.893  -8.500
  118   2HE2  GLN  17          HE21      GLN  17  -8.100  11.136  -7.976
  119    H    GLU  18           HN       GLU  18  -5.048  14.059  -2.155
  120    HA   GLU  18           HA       GLU  18  -3.364  11.963  -3.408
  121   1HB   GLU  18           HB1      GLU  18  -2.590  13.443  -0.917
  122   2HB   GLU  18           HB2      GLU  18  -1.567  12.846  -2.224
  123   1HG   GLU  18           HG1      GLU  18  -2.460  14.574  -3.726
  124   2HG   GLU  18           HG2      GLU  18  -3.531  15.149  -2.449
  125    H    ILE  19           HN       ILE  19  -4.779  10.158  -2.792
  126    HA   ILE  19           HA       ILE  19  -4.916   9.614   0.132
  127    HB   ILE  19           HB       ILE  19  -6.047   7.888  -2.051
  128   1HG1  ILE  19          HG12      ILE  19  -6.713  10.566  -1.798
  129   2HG1  ILE  19          HG11      ILE  19  -7.750   9.331  -2.490
  130   1HG2  ILE  19          HG21      ILE  19  -5.868   7.117   0.346
  131   2HG2  ILE  19          HG23      ILE  19  -6.998   8.394   0.779
  132   3HG2  ILE  19          HG22      ILE  19  -7.505   7.101  -0.309
  133   1HD1  ILE  19          HD12      ILE  19  -7.735  10.103   0.441
  134   2HD1  ILE  19          HD13      ILE  19  -8.900  10.696  -0.743
  135   3HD1  ILE  19          HD11      ILE  19  -8.847   8.980  -0.342
  136    H    CYS  20           HN       CYS  20  -4.167   7.566   0.890
  137    HA   CYS  20           HA       CYS  20  -1.993   6.418  -0.814
  138   1HB   CYS  20           HB1      CYS  20  -1.416   7.762   1.376
  139   2HB   CYS  20           HB2      CYS  20  -1.915   6.279   2.187
  140    H    TYR  21           HN       TYR  21  -2.593   4.410  -1.463
  141    HA   TYR  21           HA       TYR  21  -4.362   2.839   0.347
  142   1HB   TYR  21           HB1      TYR  21  -5.032   1.585  -1.531
  143   2HB   TYR  21           HB2      TYR  21  -4.822   3.198  -2.209
  144    HD1  TYR  21           HD2      TYR  21  -3.131  -0.084  -1.720
  145    HD2  TYR  21           HD1      TYR  21  -3.206   3.614  -3.905
  146    HE1  TYR  21           HE2      TYR  21  -1.421  -0.974  -3.279
  147    HE2  TYR  21           HE1      TYR  21  -1.494   2.725  -5.465
  148    HH   TYR  21           HH       TYR  21   0.420   0.809  -5.193
  149    H    VAL  22           HN       VAL  22  -3.700   0.664   0.930
  150    HA   VAL  22           HA       VAL  22  -0.776   0.209   0.500
  151    HB   VAL  22           HB       VAL  22  -0.508  -0.502   2.759
  152   1HG1  VAL  22          HG12      VAL  22  -1.798   2.068   2.191
  153   2HG1  VAL  22          HG13      VAL  22  -2.025   1.549   3.860
  154   3HG1  VAL  22          HG11      VAL  22  -0.398   1.719   3.205
  155   1HG2  VAL  22          HG23      VAL  22  -3.503  -0.611   2.707
  156   2HG2  VAL  22          HG22      VAL  22  -2.352  -1.818   3.282
  157   3HG2  VAL  22          HG21      VAL  22  -2.671  -0.375   4.245
  158    H    LYS  23           HN       LYS  23  -0.581  -1.548  -0.767
  159    HA   LYS  23           HA       LYS  23  -2.595  -3.727  -0.547
  160   1HB   LYS  23           HB1      LYS  23  -0.553  -2.961  -2.638
  161   2HB   LYS  23           HB2      LYS  23  -1.300  -4.558  -2.634
  162   1HG   LYS  23           HG1      LYS  23  -3.487  -3.632  -2.916
  163   2HG   LYS  23           HG2      LYS  23  -2.917  -2.001  -2.563
  164   1HD   LYS  23           HD1      LYS  23  -2.603  -1.707  -4.776
  165   2HD   LYS  23           HD2      LYS  23  -1.328  -2.926  -4.705
  166   1HE   LYS  23           HE1      LYS  23  -2.965  -4.699  -5.120
  167   2HE   LYS  23           HE2      LYS  23  -4.278  -3.521  -5.098
  168   1HZ   LYS  23           HZ2      LYS  23  -2.027  -3.130  -6.945
  169   2HZ   LYS  23           HZ3      LYS  23  -3.231  -4.262  -7.339
  170   3HZ   LYS  23           HZ1      LYS  23  -3.645  -2.635  -7.097
  171    H    SER  24           HN       SER  24  -2.005  -5.669   0.368
  172    HA   SER  24           HA       SER  24   0.902  -6.126   0.844
  173   1HB   SER  24           HB1      SER  24   0.389  -5.525   2.995
  174   2HB   SER  24           HB2      SER  24  -1.314  -5.932   2.813
  175    HG   SER  24           HG       SER  24  -0.285  -7.429   4.157
  176    H    TRP  25           HN       TRP  25   0.928  -7.743  -0.821
  177    HA   TRP  25           HA       TRP  25  -0.789 -10.123  -0.211
  178   1HB   TRP  25           HB1      TRP  25  -0.364 -10.836  -2.533
  179   2HB   TRP  25           HB2      TRP  25  -1.093  -9.233  -2.481
  180    HD1  TRP  25           HD1      TRP  25   2.002 -11.038  -3.607
  181    HE1  TRP  25           HE1      TRP  25   3.580  -9.336  -4.742
  182    HE3  TRP  25           HE3      TRP  25  -0.317  -6.751  -2.260
  183    HZ2  TRP  25           HZ2      TRP  25   3.808  -6.471  -5.015
  184    HZ3  TRP  25           HZ3      TRP  25   0.566  -4.582  -2.919
  185    HH2  TRP  25           HH2      TRP  25   2.628  -4.396  -4.304
  186    H    CYS  26           HN       CYS  26   0.330 -12.266  -0.617
  187    HA   CYS  26           HA       CYS  26   3.274 -12.134  -0.182
  188   1HB   CYS  26           HB1      CYS  26   1.287 -12.828   1.812
  189   2HB   CYS  26           HB2      CYS  26   2.346 -14.200   1.489
  190    H    ASN  27           HN       ASN  27   3.743 -14.801   0.223
  191    HA   ASN  27           HA       ASN  27   2.690 -16.036  -2.291
  192   1HB   ASN  27           HB1      ASN  27   5.295 -15.531  -1.656
  193   2HB   ASN  27           HB2      ASN  27   5.114 -17.174  -1.042
  194   1HD2  ASN  27          HD22      ASN  27   4.598 -16.528  -5.082
  195   2HD2  ASN  27          HD21      ASN  27   4.292 -15.258  -3.996
  196    H    ALA  28           HN       ALA  28   2.010 -16.080   0.820
  197    HA   ALA  28           HA       ALA  28   0.750 -17.659   2.033
  198   1HB   ALA  28           HB3      ALA  28   0.360 -18.753  -0.268
  199   2HB   ALA  28           HB1      ALA  28   1.687 -19.826   0.172
  200   3HB   ALA  28           HB2      ALA  28   0.224 -19.787   1.154
  201    H    TRP  29           HN       TRP  29   3.997 -17.697   1.347
  202    HA   TRP  29           HA       TRP  29   4.539 -19.134   3.878
  203   1HB   TRP  29           HB1      TRP  29   5.626 -19.855   1.182
  204   2HB   TRP  29           HB2      TRP  29   6.492 -20.241   2.647
  205    HD1  TRP  29           HD1      TRP  29   2.839 -20.689   1.341
  206    HE1  TRP  29           HE1      TRP  29   2.031 -23.003   2.165
  207    HE3  TRP  29           HE3      TRP  29   6.926 -22.105   3.923
  208    HZ2  TRP  29           HZ2      TRP  29   3.038 -25.194   3.748
  209    HZ3  TRP  29           HZ3      TRP  29   7.028 -24.307   5.101
  210    HH2  TRP  29           HH2      TRP  29   5.079 -25.849   5.012
  211    H    CYS  30           HN       CYS  30   4.676 -16.288   2.840
  212    HA   CYS  30           HA       CYS  30   7.482 -15.616   2.591
  213   1HB   CYS  30           HB1      CYS  30   6.643 -13.271   3.021
  214   2HB   CYS  30           HB2      CYS  30   5.924 -14.098   1.640
  215    H    SER  31           HN       SER  31   6.657 -17.121   5.122
  216    HA   SER  31           HA       SER  31   6.616 -15.594   7.425
  217   1HB   SER  31           HB1      SER  31   6.704 -18.108   7.329
  218   2HB   SER  31           HB2      SER  31   8.436 -17.987   7.031
  219    HG   SER  31           HG       SER  31   8.775 -17.485   9.037
  220    H    SER  32           HN       SER  32   7.725 -13.634   7.263
  221    HA   SER  32           HA       SER  32   9.561 -12.177   7.070
  222   1HB   SER  32           HB1      SER  32  11.390 -14.075   8.361
  223   2HB   SER  32           HB2      SER  32  10.924 -12.449   8.851
  224    HG   SER  32           HG       SER  32   9.101 -13.220   9.787
  225    H    ARG  33           HN       ARG  33   9.685 -12.550   4.804
  226    HA   ARG  33           HA       ARG  33  12.271 -13.788   4.019
  227   1HB   ARG  33           HB1      ARG  33   9.549 -14.475   2.948
  228   2HB   ARG  33           HB2      ARG  33  10.947 -14.548   1.876
  229   1HG   ARG  33           HG1      ARG  33  11.917 -15.838   4.080
  230   2HG   ARG  33           HG2      ARG  33  10.213 -16.293   4.149
  231   1HD   ARG  33           HD1      ARG  33  11.714 -17.837   2.779
  232   2HD   ARG  33           HD2      ARG  33  10.285 -17.227   1.943
  233    HE   ARG  33           HE       ARG  33  12.874 -15.798   1.599
  234   1HH1  ARG  33          HH21      ARG  33  10.365 -15.200   0.009
  235   2HH1  ARG  33          HH22      ARG  33  10.697 -16.020  -1.480
  236   1HH2  ARG  33          HH11      ARG  33  13.269 -17.935  -0.158
  237   2HH2  ARG  33          HH12      ARG  33  12.342 -17.569  -1.576
  238    H    GLY  34           HN       GLY  34   9.623 -12.516   2.022
  239   1HA   GLY  34           HA1      GLY  34  10.951  -9.934   1.665
  240   2HA   GLY  34           HA2      GLY  34  11.065 -10.990   0.257
  241    H    LYS  35           HN       LYS  35   8.460 -10.265   2.610
  242    HA   LYS  35           HA       LYS  35   6.258 -10.594   0.957
  243   1HB   LYS  35           HB1      LYS  35   6.554  -8.261   2.872
  244   2HB   LYS  35           HB2      LYS  35   5.060  -9.072   2.397
  245   1HG   LYS  35           HG1      LYS  35   5.377 -10.288   4.296
  246   2HG   LYS  35           HG2      LYS  35   6.562 -11.173   3.333
  247   1HD   LYS  35           HD1      LYS  35   7.912 -10.572   5.106
  248   2HD   LYS  35           HD2      LYS  35   8.123  -9.136   4.104
  249   1HE   LYS  35           HE1      LYS  35   5.846  -8.490   5.468
  250   2HE   LYS  35           HE2      LYS  35   6.695  -9.456   6.675
  251   1HZ   LYS  35           HZ1      LYS  35   8.274  -7.492   5.215
  252   2HZ   LYS  35           HZ2      LYS  35   7.148  -6.881   6.332
  253   3HZ   LYS  35           HZ3      LYS  35   8.358  -7.958   6.843
  254    H    VAL  36           HN       VAL  36   5.204  -9.332  -0.614
  255    HA   VAL  36           HA       VAL  36   6.833  -7.075  -1.699
  256    HB   VAL  36           HB       VAL  36   4.626  -7.981  -3.380
  257   1HG1  VAL  36          HG11      VAL  36   6.812  -6.633  -3.872
  258   2HG1  VAL  36          HG13      VAL  36   7.559  -8.227  -3.996
  259   3HG1  VAL  36          HG12      VAL  36   6.232  -7.788  -5.073
  260   1HG2  VAL  36          HG21      VAL  36   6.652 -10.002  -2.403
  261   2HG2  VAL  36          HG23      VAL  36   4.901 -10.176  -2.504
  262   3HG2  VAL  36          HG22      VAL  36   5.872 -10.161  -3.977
  263    H    LEU  37           HN       LEU  37   5.710  -5.982   0.266
  264    HA   LEU  37           HA       LEU  37   2.930  -5.170  -0.374
  265   1HB   LEU  37           HB1      LEU  37   4.648  -5.098   2.102
  266   2HB   LEU  37           HB2      LEU  37   3.092  -4.300   2.014
  267    HG   LEU  37           HG       LEU  37   1.997  -6.237   2.359
  268   1HD1  LEU  37          HD12      LEU  37   2.398  -6.866  -0.052
  269   2HD1  LEU  37          HD11      LEU  37   3.856  -7.707   0.471
  270   3HD1  LEU  37          HD13      LEU  37   2.277  -8.248   1.031
  271   1HD2  LEU  37          HD22      LEU  37   4.828  -7.174   2.796
  272   2HD2  LEU  37          HD21      LEU  37   3.665  -6.636   4.008
  273   3HD2  LEU  37          HD23      LEU  37   3.426  -8.174   3.179
  274    H    GLU  38           HN       GLU  38   2.720  -3.228  -1.386
  275    HA   GLU  38           HA       GLU  38   4.565  -1.023  -0.586
  276   1HB   GLU  38           HB1      GLU  38   4.769  -0.288  -2.898
  277   2HB   GLU  38           HB2      GLU  38   5.293  -1.969  -2.787
  278   1HG   GLU  38           HG1      GLU  38   2.615  -2.275  -3.265
  279   2HG   GLU  38           HG2      GLU  38   2.963  -0.807  -4.180
  280    H    PHE  39           HN       PHE  39   3.572   1.063  -0.653
  281    HA   PHE  39           HA       PHE  39   0.630   0.973  -1.052
  282   1HB   PHE  39           HB1      PHE  39   2.037   3.003   0.672
  283   2HB   PHE  39           HB2      PHE  39   0.341   2.524   0.708
  284    HD1  PHE  39           HD2      PHE  39   0.950  -0.512   0.416
  285    HD2  PHE  39           HD1      PHE  39   2.460   2.540   3.037
  286    HE1  PHE  39           HE2      PHE  39   1.475  -2.237   2.120
  287    HE2  PHE  39           HE1      PHE  39   2.984   0.815   4.741
  288    HZ   PHE  39           HZ       PHE  39   2.492  -1.574   4.282
  289    H    GLY  40           HN       GLY  40  -0.226   2.490  -2.479
  290   1HA   GLY  40           HA1      GLY  40   1.747   4.441  -3.602
  291   2HA   GLY  40           HA2      GLY  40   0.624   3.554  -4.629
  292    H    CYS  41           HN       CYS  41  -0.415   5.415  -5.410
  293    HA   CYS  41           HA       CYS  41  -1.730   7.170  -3.427
  294   1HB   CYS  41           HB1      CYS  41  -0.480   8.294  -5.186
  295   2HB   CYS  41           HB2      CYS  41  -1.375   7.438  -6.427
  296    H    ALA  42           HN       ALA  42  -3.938   7.712  -3.824
  297    HA   ALA  42           HA       ALA  42  -5.585   6.064  -5.567
  298   1HB   ALA  42           HB2      ALA  42  -4.923   4.985  -3.052
  299   2HB   ALA  42           HB1      ALA  42  -6.577   5.574  -2.895
  300   3HB   ALA  42           HB3      ALA  42  -6.171   4.412  -4.159
  301    H    ALA  43           HN       ALA  43  -7.983   6.361  -4.755
  302    HA   ALA  43           HA       ALA  43  -8.346   9.261  -4.224
  303   1HB   ALA  43           HB1      ALA  43  -9.868   7.235  -5.833
  304   2HB   ALA  43           HB3      ALA  43 -10.721   8.636  -5.182
  305   3HB   ALA  43           HB2      ALA  43  -9.364   8.863  -6.286
  306    H    THR  44           HN       THR  44  -9.652   6.036  -3.468
  307    HA   THR  44           HA       THR  44 -10.351   6.984  -0.767
  308    HB   THR  44           HB       THR  44 -12.426   7.466  -1.867
  309    HG1  THR  44           HG1      THR  44 -13.665   6.236  -0.643
  310   1HG2  THR  44          HG21      THR  44 -12.190   4.718  -3.125
  311   2HG2  THR  44          HG23      THR  44 -13.543   5.829  -3.334
  312   3HG2  THR  44          HG22      THR  44 -11.950   6.253  -3.960
  313    H    CYS  45           HN       CYS  45 -10.442   5.236   0.723
  314    HA   CYS  45           HA       CYS  45  -8.828   3.116   0.539
  315   1HB   CYS  45           HB1      CYS  45 -10.196   3.808   2.522
  316   2HB   CYS  45           HB2      CYS  45 -11.548   2.928   1.817
  317    HA   PRO  46           HA       PRO  46 -10.941   0.829  -2.749
  318   1HB   PRO  46           HB1      PRO  46  -8.739  -0.652  -3.469
  319   2HB   PRO  46           HB2      PRO  46  -9.053   0.991  -4.050
  320   1HG   PRO  46           HG1      PRO  46  -7.058   0.038  -2.052
  321   2HG   PRO  46           HG2      PRO  46  -7.036   1.503  -3.044
  322   1HD   PRO  46           HD1      PRO  46  -7.752   1.291  -0.286
  323   2HD   PRO  46           HD2      PRO  46  -7.897   2.728  -1.319
  324    H    SER  47           HN       SER  47 -11.303  -1.556  -3.109
  325    HA   SER  47           HA       SER  47 -10.671  -3.212  -0.709
  326   1HB   SER  47           HB1      SER  47 -13.088  -2.157  -0.856
  327   2HB   SER  47           HB2      SER  47 -13.357  -3.450  -2.022
  328    HG   SER  47           HG       SER  47 -12.127  -4.051   0.417
  329    H    VAL  48           HN       VAL  48  -9.057  -4.176  -2.152
  330    HA   VAL  48           HA       VAL  48 -10.213  -5.802  -4.358
  331    HB   VAL  48           HB       VAL  48  -7.432  -4.886  -3.770
  332   1HG1  VAL  48          HG12      VAL  48  -8.411  -7.123  -5.486
  333   2HG1  VAL  48          HG11      VAL  48  -7.082  -6.133  -6.090
  334   3HG1  VAL  48          HG13      VAL  48  -6.913  -6.999  -4.562
  335   1HG2  VAL  48          HG23      VAL  48  -9.197  -3.453  -4.993
  336   2HG2  VAL  48          HG22      VAL  48  -7.630  -3.650  -5.778
  337   3HG2  VAL  48          HG21      VAL  48  -9.012  -4.604  -6.316
  338    H    ASN  49           HN       ASN  49  -9.800  -8.078  -4.410
  339    HA   ASN  49           HA       ASN  49  -8.674  -9.187  -1.918
  340   1HB   ASN  49           HB1      ASN  49 -11.234  -9.267  -2.158
  341   2HB   ASN  49           HB2      ASN  49 -10.945 -10.470  -3.415
  342   1HD2  ASN  49          HD22      ASN  49 -11.269 -12.537  -0.423
  343   2HD2  ASN  49          HD21      ASN  49 -12.245 -11.722  -1.547
  344    H    THR  50           HN       THR  50  -7.837  -8.828  -4.929
  345    HA   THR  50           HA       THR  50  -7.513 -11.536  -5.914
  346    HB   THR  50           HB       THR  50  -5.561  -9.520  -6.828
  347    HG1  THR  50           HG1      THR  50  -8.182  -9.049  -7.626
  348   1HG2  THR  50          HG22      THR  50  -7.392 -11.588  -7.916
  349   2HG2  THR  50          HG21      THR  50  -7.041 -10.223  -8.976
  350   3HG2  THR  50          HG23      THR  50  -5.724 -11.218  -8.353
  351    H    GLY  51           HN       GLY  51  -6.595 -12.552  -3.952
  352   1HA   GLY  51           HA1      GLY  51  -4.827 -13.144  -2.501
  353   2HA   GLY  51           HA2      GLY  51  -3.884 -13.086  -3.993
  354    H    THR  52           HN       THR  52  -5.469 -10.224  -2.770
  355    HA   THR  52           HA       THR  52  -2.897  -9.215  -1.665
  356    HB   THR  52           HB       THR  52  -4.564  -7.953  -3.855
  357    HG1  THR  52           HG1      THR  52  -2.998  -8.972  -4.842
  358   1HG2  THR  52          HG21      THR  52  -2.952  -6.701  -1.732
  359   2HG2  THR  52          HG23      THR  52  -2.502  -6.203  -3.363
  360   3HG2  THR  52          HG22      THR  52  -4.159  -5.985  -2.801
  361    H    GLU  53           HN       GLU  53  -3.239  -8.074   0.218
  362    HA   GLU  53           HA       GLU  53  -6.064  -7.492   0.932
  363   1HB   GLU  53           HB1      GLU  53  -5.290  -7.386   3.234
  364   2HB   GLU  53           HB2      GLU  53  -4.660  -8.862   2.499
  365   1HG   GLU  53           HG1      GLU  53  -2.649  -7.186   1.875
  366   2HG   GLU  53           HG2      GLU  53  -3.222  -6.391   3.342
  367    H    ILE  54           HN       ILE  54  -6.639  -5.422   0.335
  368    HA   ILE  54           HA       ILE  54  -4.567  -3.312   0.426
  369    HB   ILE  54           HB       ILE  54  -6.889  -3.836  -1.196
  370   1HG1  ILE  54          HG11      ILE  54  -5.417  -1.340  -1.663
  371   2HG1  ILE  54          HG12      ILE  54  -4.369  -2.741  -1.436
  372   1HG2  ILE  54          HG23      ILE  54  -6.919  -1.206   0.302
  373   2HG2  ILE  54          HG22      ILE  54  -7.767  -1.451  -1.224
  374   3HG2  ILE  54          HG21      ILE  54  -8.214  -2.396   0.199
  375   1HD1  ILE  54          HD11      ILE  54  -6.760  -2.835  -3.281
  376   2HD1  ILE  54          HD12      ILE  54  -5.185  -2.264  -3.837
  377   3HD1  ILE  54          HD13      ILE  54  -5.366  -3.915  -3.243
  378    H    LYS  55           HN       LYS  55  -5.127  -1.246   1.496
  379    HA   LYS  55           HA       LYS  55  -7.230  -1.378   3.554
  380   1HB   LYS  55           HB1      LYS  55  -4.511  -0.598   4.515
  381   2HB   LYS  55           HB2      LYS  55  -5.854  -1.310   5.408
  382   1HG   LYS  55           HG1      LYS  55  -5.463  -3.446   4.115
  383   2HG   LYS  55           HG2      LYS  55  -3.998  -2.710   3.465
  384   1HD   LYS  55           HD1      LYS  55  -2.921  -3.426   5.315
  385   2HD   LYS  55           HD2      LYS  55  -3.879  -2.270   6.241
  386   1HE   LYS  55           HE1      LYS  55  -5.712  -4.172   6.117
  387   2HE   LYS  55           HE2      LYS  55  -4.315  -5.212   5.840
  388   1HZ   LYS  55           HZ2      LYS  55  -3.508  -3.655   7.892
  389   2HZ   LYS  55           HZ3      LYS  55  -5.157  -3.872   8.241
  390   3HZ   LYS  55           HZ1      LYS  55  -4.149  -5.222   8.049
  391    H    CYS  56           HN       CYS  56  -7.140   0.804   4.823
  392    HA   CYS  56           HA       CYS  56  -6.766   2.944   2.792
  393   1HB   CYS  56           HB1      CYS  56  -8.016   3.658   5.373
  394   2HB   CYS  56           HB2      CYS  56  -8.551   4.012   3.733
  395    H    CYS  57           HN       CYS  57  -5.137   4.388   3.035
  396    HA   CYS  57           HA       CYS  57  -3.974   4.887   5.713
  397   1HB   CYS  57           HB1      CYS  57  -2.740   2.937   4.843
  398   2HB   CYS  57           HB2      CYS  57  -2.363   3.830   3.373
  399    H    SER  58           HN       SER  58  -2.694   6.801   5.758
  400    HA   SER  58           HA       SER  58  -2.867   8.434   3.286
  401   1HB   SER  58           HB1      SER  58  -4.473   8.998   5.294
  402   2HB   SER  58           HB2      SER  58  -3.024   9.730   5.977
  403    HG   SER  58           HG       SER  58  -4.542  10.514   3.812
  404    H    ALA  59           HN       ALA  59  -0.978   7.254   5.826
  405    HA   ALA  59           HA       ALA  59   1.418   8.422   4.642
  406   1HB   ALA  59           HB1      ALA  59   0.471   9.364   7.361
  407   2HB   ALA  59           HB3      ALA  59   2.120   9.583   6.771
  408   3HB   ALA  59           HB2      ALA  59   0.773  10.357   5.935
  409    H    ASP  60           HN       ASP  60   1.925   8.027   7.936
  410    HA   ASP  60           HA       ASP  60   2.876   5.254   7.494
  411   1HB   ASP  60           HB1      ASP  60   4.428   7.058   8.449
  412   2HB   ASP  60           HB2      ASP  60   3.414   7.028   9.893
  413    H    LYS  61           HN       LYS  61   0.105   6.057   7.811
  414    HA   LYS  61           HA       LYS  61  -0.561   4.848  10.426
  415   1HB   LYS  61           HB1      LYS  61  -2.655   5.973  10.326
  416   2HB   LYS  61           HB2      LYS  61  -1.466   7.154   9.771
  417   1HG   LYS  61           HG1      LYS  61  -2.070   5.947   7.420
  418   2HG   LYS  61           HG2      LYS  61  -3.611   5.771   8.259
  419   1HD   LYS  61           HD1      LYS  61  -2.722   8.405   8.784
  420   2HD   LYS  61           HD2      LYS  61  -2.462   8.133   7.060
  421   1HE   LYS  61           HE1      LYS  61  -4.706   8.952   7.289
  422   2HE   LYS  61           HE2      LYS  61  -4.839   7.222   6.975
  423   1HZ   LYS  61           HZ1      LYS  61  -4.666   7.240   9.629
  424   2HZ   LYS  61           HZ2      LYS  61  -5.454   8.724   9.379
  425   3HZ   LYS  61           HZ3      LYS  61  -6.138   7.285   8.789
  426    H    CYS  62           HN       CYS  62   0.025   3.828   7.460
  427    HA   CYS  62           HA       CYS  62  -2.268   2.453   6.555
  428   1HB   CYS  62           HB1      CYS  62   0.497   1.257   6.393
  429   2HB   CYS  62           HB2      CYS  62  -0.814   1.142   5.222
  430    H    ASN  63           HN       ASN  63   0.334   1.231   8.689
  431    HA   ASN  63           HA       ASN  63  -1.651  -0.695   9.784
  432   1HB   ASN  63           HB1      ASN  63   0.286  -2.271  10.077
  433   2HB   ASN  63           HB2      ASN  63  -0.115  -1.947   8.392
  434   1HD2  ASN  63          HD22      ASN  63   3.482  -1.458   8.348
  435   2HD2  ASN  63          HD21      ASN  63   2.317  -2.688   8.231
  436    H    THR  64           HN       THR  64  -1.975   0.909  11.502
  437    HA   THR  64           HA       THR  64   0.260   0.857  13.488
  438    HB   THR  64           HB       THR  64  -1.302   3.211  13.864
  439    HG1  THR  64           HG1      THR  64  -0.061   3.174  11.342
  440   1HG2  THR  64          HG23      THR  64   1.139   2.550  14.399
  441   2HG2  THR  64          HG22      THR  64   1.483   3.039  12.740
  442   3HG2  THR  64          HG21      THR  64   0.830   4.209  13.887
  443    H    TYR  65           HN       TYR  65  -0.389   0.093  15.439
  444    HA   TYR  65           HA       TYR  65  -1.866  -0.986  16.939
  445   1HB   TYR  65           HB1      TYR  65  -1.781   1.111  17.978
  446   2HB   TYR  65           HB2      TYR  65  -2.657   1.895  16.669
  447    HD1  TYR  65           HD2      TYR  65  -3.111  -0.806  19.239
  448    HD2  TYR  65           HD1      TYR  65  -4.938   2.352  16.967
  449    HE1  TYR  65           HE2      TYR  65  -5.235  -1.148  20.473
  450    HE2  TYR  65           HE1      TYR  65  -7.063   2.009  18.201
  451    HH   TYR  65           HH       TYR  65  -7.291   0.335  21.040
  452    HA   PRO  66           HA       PRO  66  -5.186  -1.829  13.856
  453   1HB   PRO  66           HB1      PRO  66  -4.711  -4.540  13.762
  454   2HB   PRO  66           HB2      PRO  66  -3.918  -3.364  12.700
  455   1HG   PRO  66           HG1      PRO  66  -2.827  -4.828  15.070
  456   2HG   PRO  66           HG2      PRO  66  -1.972  -4.194  13.655
  457   1HD   PRO  66           HD1      PRO  66  -2.083  -2.998  16.228
  458   2HD   PRO  66           HD2      PRO  66  -1.505  -2.221  14.739
   
  No H/Q in entry =         458
  Start of MODEL   15
    1   1H    ARG   1           HT1      ARG   1   1.568  15.316  -0.460
    2   2H    ARG   1           HT2      ARG   1   2.504  15.788  -1.798
    3   3H    ARG   1           HT3      ARG   1   1.209  14.707  -2.001
    4    HA   ARG   1           HA       ARG   1   2.794  13.153  -1.935
    5   1HB   ARG   1           HB1      ARG   1   4.356  15.414  -1.341
    6   2HB   ARG   1           HB2      ARG   1   4.727  14.239  -0.080
    7   1HG   ARG   1           HG1      ARG   1   5.762  12.835  -1.538
    8   2HG   ARG   1           HG2      ARG   1   4.538  13.084  -2.786
    9   1HD   ARG   1           HD1      ARG   1   5.755  15.540  -2.718
   10   2HD   ARG   1           HD2      ARG   1   7.112  14.472  -2.357
   11    HE   ARG   1           HE       ARG   1   5.822  13.304  -4.544
   12   1HH1  ARG   1          HH21      ARG   1   5.588  16.491  -4.720
   13   2HH1  ARG   1          HH22      ARG   1   6.823  16.771  -5.903
   14   1HH2  ARG   1          HH11      ARG   1   8.152  13.578  -5.658
   15   2HH2  ARG   1          HH12      ARG   1   8.275  15.121  -6.434
   16    H    GLU   2           HN       GLU   2   1.963  11.529  -0.736
   17    HA   GLU   2           HA       GLU   2   2.094  11.737   2.241
   18   1HB   GLU   2           HB1      GLU   2  -0.175  10.914   0.461
   19   2HB   GLU   2           HB2      GLU   2   0.021  10.092   2.009
   20   1HG   GLU   2           HG1      GLU   2  -0.388  12.026   3.235
   21   2HG   GLU   2           HG2      GLU   2   0.154  13.087   1.933
   22    H    CYS   3           HN       CYS   3   1.901   9.338   3.140
   23    HA   CYS   3           HA       CYS   3   2.757   7.171   3.203
   24   1HB   CYS   3           HB1      CYS   3   2.419   7.560   0.248
   25   2HB   CYS   3           HB2      CYS   3   3.239   6.126   0.860
   26    H    TYR   4           HN       TYR   4   4.570   8.185   0.330
   27    HA   TYR   4           HA       TYR   4   6.897   8.004  -0.029
   28   1HB   TYR   4           HB1      TYR   4   8.113   9.412   1.928
   29   2HB   TYR   4           HB2      TYR   4   7.252  10.182   0.605
   30    HD1  TYR   4           HD2      TYR   4   6.993   9.114   4.158
   31    HD2  TYR   4           HD1      TYR   4   5.201  11.396   0.989
   32    HE1  TYR   4           HE2      TYR   4   5.476  10.197   5.796
   33    HE2  TYR   4           HE1      TYR   4   3.697  12.488   2.632
   34    HH   TYR   4           HH       TYR   4   3.081  12.629   4.751
   35    H    LEU   5           HN       LEU   5   9.053   7.929   1.847
   36    HA   LEU   5           HA       LEU   5  10.155   6.399   3.223
   37   1HB   LEU   5           HB1      LEU   5   7.321   6.053   4.028
   38   2HB   LEU   5           HB2      LEU   5   8.510   4.935   4.642
   39    HG   LEU   5           HG       LEU   5   8.729   7.963   4.791
   40   1HD1  LEU   5          HD12      LEU   5   7.035   6.251   6.273
   41   2HD1  LEU   5          HD11      LEU   5   8.387   6.633   7.340
   42   3HD1  LEU   5          HD13      LEU   5   7.427   7.933   6.632
   43   1HD2  LEU   5          HD23      LEU   5  10.280   5.698   6.097
   44   2HD2  LEU   5          HD22      LEU   5  10.889   6.832   4.890
   45   3HD2  LEU   5          HD21      LEU   5  10.477   7.402   6.508
   46    H    ASN   6           HN       ASN   6  10.945   5.250   1.356
   47    HA   ASN   6           HA       ASN   6   9.297   2.893   0.625
   48   1HB   ASN   6           HB1      ASN   6  10.253   4.680  -1.076
   49   2HB   ASN   6           HB2      ASN   6  11.662   3.619  -1.008
   50   1HD2  ASN   6          HD22      ASN   6   8.146   1.783  -2.168
   51   2HD2  ASN   6          HD21      ASN   6   8.118   2.879  -0.871
   52    HA   PRO   7           HA       PRO   7  13.300   1.123   2.449
   53   1HB   PRO   7           HB1      PRO   7  12.602   0.753   5.089
   54   2HB   PRO   7           HB2      PRO   7  13.498   2.171   4.513
   55   1HG   PRO   7           HG1      PRO   7  10.617   1.924   5.298
   56   2HG   PRO   7           HG2      PRO   7  11.687   3.332   5.398
   57   1HD   PRO   7           HD1      PRO   7   9.732   2.882   3.408
   58   2HD   PRO   7           HD2      PRO   7  11.063   4.056   3.314
   59    H    HIS   8           HN       HIS   8   9.947   0.717   3.445
   60    HA   HIS   8           HA       HIS   8  10.095  -2.208   2.836
   61   1HB   HIS   8           HB1      HIS   8   9.619  -2.178   5.141
   62   2HB   HIS   8           HB2      HIS   8   8.702  -0.681   5.032
   63    HD1  HIS   8           HD1      HIS   8   8.033  -3.694   2.818
   64    HD2  HIS   8           HD2      HIS   8   6.295  -1.695   6.039
   65    HE1  HIS   8           HE1      HIS   8   5.706  -4.682   3.114
   66    H    ASP   9           HN       ASP   9   9.779  -0.465   0.806
   67    HA   ASP   9           HA       ASP   9   8.350  -0.195  -1.056
   68   1HB   ASP   9           HB1      ASP   9   6.004  -1.127   0.550
   69   2HB   ASP   9           HB2      ASP   9   6.333  -1.348  -1.169
   70    H    THR  10           HN       THR  10   5.686   0.734  -1.012
   71    HA   THR  10           HA       THR  10   4.276   2.443  -0.042
   72    HB   THR  10           HB       THR  10   6.769   3.877   0.880
   73    HG1  THR  10           HG1      THR  10   6.405   2.940   2.897
   74   1HG2  THR  10          HG23      THR  10   3.820   4.130   1.326
   75   2HG2  THR  10          HG22      THR  10   4.940   4.679   2.574
   76   3HG2  THR  10          HG21      THR  10   5.009   5.380   0.957
   77    H    GLN  11           HN       GLN  11   4.264   4.929  -0.705
   78    HA   GLN  11           HA       GLN  11   6.025   5.729  -2.818
   79   1HB   GLN  11           HB1      GLN  11   4.969   4.183  -4.249
   80   2HB   GLN  11           HB2      GLN  11   3.397   4.429  -3.496
   81   1HG   GLN  11           HG1      GLN  11   3.329   5.523  -5.633
   82   2HG   GLN  11           HG2      GLN  11   3.438   6.791  -4.416
   83   1HE2  GLN  11          HE22      GLN  11   6.909   5.940  -6.479
   84   2HE2  GLN  11          HE21      GLN  11   5.886   4.664  -6.024
   85    H    THR  12           HN       THR  12   5.586   7.934  -3.422
   86    HA   THR  12           HA       THR  12   3.798   9.279  -1.582
   87    HB   THR  12           HB       THR  12   4.978  11.243  -2.042
   88    HG1  THR  12           HG1      THR  12   5.184  11.609  -4.093
   89   1HG2  THR  12          HG21      THR  12   6.918   8.963  -2.502
   90   2HG2  THR  12          HG23      THR  12   7.356  10.590  -1.982
   91   3HG2  THR  12          HG22      THR  12   6.386   9.559  -0.930
   92    H    CYS  13           HN       CYS  13   2.431  11.075  -2.415
   93    HA   CYS  13           HA       CYS  13   1.460  10.705  -5.194
   94   1HB   CYS  13           HB1      CYS  13  -0.081   9.344  -3.976
   95   2HB   CYS  13           HB2      CYS  13  -0.185  10.509  -2.660
   96    HA   PRO  14           HA       PRO  14   1.880  15.119  -3.973
   97   1HB   PRO  14           HB1      PRO  14   3.278  15.823  -6.242
   98   2HB   PRO  14           HB2      PRO  14   4.046  15.247  -4.752
   99   1HG   PRO  14           HG1      PRO  14   3.609  13.817  -7.344
  100   2HG   PRO  14           HG2      PRO  14   4.871  13.567  -6.127
  101   1HD   PRO  14           HD1      PRO  14   2.547  11.978  -6.489
  102   2HD   PRO  14           HD2      PRO  14   3.635  11.931  -5.085
  103    H    SER  15           HN       SER  15   1.386  13.890  -7.307
  104    HA   SER  15           HA       SER  15  -0.779  15.922  -7.645
  105   1HB   SER  15           HB1      SER  15   1.019  14.484  -9.598
  106   2HB   SER  15           HB2      SER  15  -0.484  15.234 -10.129
  107    HG   SER  15           HG       SER  15   1.618  16.530  -8.742
  108    H    GLY  16           HN       GLY  16  -2.653  15.091  -9.028
  109   1HA   GLY  16           HA1      GLY  16  -4.123  13.313  -9.699
  110   2HA   GLY  16           HA2      GLY  16  -3.098  12.172  -8.828
  111    H    GLN  17           HN       GLN  17  -4.648  11.252  -7.479
  112    HA   GLN  17           HA       GLN  17  -6.670  12.791  -6.106
  113   1HB   GLN  17           HB1      GLN  17  -5.578  10.037  -5.445
  114   2HB   GLN  17           HB2      GLN  17  -7.094  10.721  -4.856
  115   1HG   GLN  17           HG1      GLN  17  -6.398  10.180  -7.761
  116   2HG   GLN  17           HG2      GLN  17  -7.505   9.226  -6.771
  117   1HE2  GLN  17          HE22      GLN  17  -8.686  12.935  -8.100
  118   2HE2  GLN  17          HE21      GLN  17  -7.033  12.547  -8.071
  119    H    GLU  18           HN       GLU  18  -6.452  11.807  -3.452
  120    HA   GLU  18           HA       GLU  18  -3.877  12.942  -2.477
  121   1HB   GLU  18           HB1      GLU  18  -5.011  14.367  -0.877
  122   2HB   GLU  18           HB2      GLU  18  -5.647  14.730  -2.482
  123   1HG   GLU  18           HG1      GLU  18  -7.634  14.500  -1.313
  124   2HG   GLU  18           HG2      GLU  18  -7.394  12.829  -1.825
  125    H    ILE  19           HN       ILE  19  -5.801  10.342  -2.514
  126    HA   ILE  19           HA       ILE  19  -5.513   9.701   0.382
  127    HB   ILE  19           HB       ILE  19  -6.878   8.029  -1.716
  128   1HG1  ILE  19          HG11      ILE  19  -7.593  10.664  -1.034
  129   2HG1  ILE  19          HG12      ILE  19  -8.598   9.488  -1.868
  130   1HG2  ILE  19          HG21      ILE  19  -6.995   8.235   1.297
  131   2HG2  ILE  19          HG22      ILE  19  -8.215   7.368   0.363
  132   3HG2  ILE  19          HG23      ILE  19  -6.531   6.843   0.320
  133   1HD1  ILE  19          HD11      ILE  19  -8.444   9.784   1.148
  134   2HD1  ILE  19          HD12      ILE  19  -9.718  10.467   0.137
  135   3HD1  ILE  19          HD13      ILE  19  -9.530   8.718   0.255
  136    H    CYS  20           HN       CYS  20  -4.674   7.575   0.905
  137    HA   CYS  20           HA       CYS  20  -2.686   6.598  -1.109
  138   1HB   CYS  20           HB1      CYS  20  -2.126   7.815   1.338
  139   2HB   CYS  20           HB2      CYS  20  -1.967   6.094   1.681
  140    H    TYR  21           HN       TYR  21  -3.141   4.487  -1.667
  141    HA   TYR  21           HA       TYR  21  -4.707   2.892   0.310
  142   1HB   TYR  21           HB1      TYR  21  -5.488   1.554  -1.455
  143   2HB   TYR  21           HB2      TYR  21  -5.397   3.142  -2.209
  144    HD1  TYR  21           HD2      TYR  21  -3.427   0.005  -1.690
  145    HD2  TYR  21           HD1      TYR  21  -4.095   3.464  -4.142
  146    HE1  TYR  21           HE2      TYR  21  -1.856  -0.895  -3.383
  147    HE2  TYR  21           HE1      TYR  21  -2.524   2.567  -5.839
  148    HH   TYR  21           HH       TYR  21  -1.716   0.082  -6.456
  149    H    VAL  22           HN       VAL  22  -3.910   0.759   0.882
  150    HA   VAL  22           HA       VAL  22  -0.983   0.465   0.330
  151    HB   VAL  22           HB       VAL  22  -0.656  -0.338   2.566
  152   1HG1  VAL  22          HG13      VAL  22  -1.325   2.228   2.064
  153   2HG1  VAL  22          HG12      VAL  22  -2.612   1.820   3.198
  154   3HG1  VAL  22          HG11      VAL  22  -0.926   1.653   3.680
  155   1HG2  VAL  22          HG21      VAL  22  -3.635  -0.580   2.506
  156   2HG2  VAL  22          HG23      VAL  22  -2.431  -1.716   3.115
  157   3HG2  VAL  22          HG22      VAL  22  -2.849  -0.284   4.057
  158    H    LYS  23           HN       LYS  23  -0.702  -1.272  -1.005
  159    HA   LYS  23           HA       LYS  23  -2.594  -3.565  -0.718
  160   1HB   LYS  23           HB1      LYS  23  -0.939  -2.487  -2.971
  161   2HB   LYS  23           HB2      LYS  23  -1.304  -4.213  -2.948
  162   1HG   LYS  23           HG1      LYS  23  -3.725  -3.664  -2.729
  163   2HG   LYS  23           HG2      LYS  23  -3.325  -1.950  -2.841
  164   1HD   LYS  23           HD1      LYS  23  -2.731  -2.101  -5.089
  165   2HD   LYS  23           HD2      LYS  23  -2.345  -3.819  -4.977
  166   1HE   LYS  23           HE1      LYS  23  -5.032  -3.754  -4.321
  167   2HE   LYS  23           HE2      LYS  23  -4.909  -2.509  -5.565
  168   1HZ   LYS  23           HZ1      LYS  23  -3.402  -4.474  -6.593
  169   2HZ   LYS  23           HZ2      LYS  23  -4.593  -5.371  -5.780
  170   3HZ   LYS  23           HZ3      LYS  23  -5.040  -4.235  -6.960
  171    H    SER  24           HN       SER  24  -1.808  -5.568  -0.073
  172    HA   SER  24           HA       SER  24   1.151  -5.804   0.236
  173   1HB   SER  24           HB1      SER  24   0.717  -5.505   2.459
  174   2HB   SER  24           HB2      SER  24  -0.969  -5.988   2.302
  175    HG   SER  24           HG       SER  24   1.291  -7.693   2.309
  176    H    TRP  25           HN       TRP  25   1.677  -7.419  -1.152
  177    HA   TRP  25           HA       TRP  25   0.252 -10.030  -0.853
  178   1HB   TRP  25           HB1      TRP  25   0.090 -10.279  -3.277
  179   2HB   TRP  25           HB2      TRP  25  -0.730  -8.792  -2.786
  180    HD1  TRP  25           HD1      TRP  25   2.147 -10.041  -4.840
  181    HE1  TRP  25           HE1      TRP  25   3.324  -8.022  -5.946
  182    HE3  TRP  25           HE3      TRP  25  -0.040  -6.331  -2.234
  183    HZ2  TRP  25           HZ2      TRP  25   3.336  -5.142  -5.679
  184    HZ3  TRP  25           HZ3      TRP  25   0.563  -4.007  -2.596
  185    HH2  TRP  25           HH2      TRP  25   2.242  -3.361  -4.323
  186    H    CYS  26           HN       CYS  26   1.535 -11.715  -2.318
  187    HA   CYS  26           HA       CYS  26   4.447 -11.073  -2.306
  188   1HB   CYS  26           HB1      CYS  26   3.080 -12.889  -0.506
  189   2HB   CYS  26           HB2      CYS  26   4.248 -13.760  -1.500
  190    H    ASN  27           HN       ASN  27   5.430 -13.483  -3.120
  191    HA   ASN  27           HA       ASN  27   4.034 -13.904  -5.732
  192   1HB   ASN  27           HB1      ASN  27   6.661 -13.152  -5.228
  193   2HB   ASN  27           HB2      ASN  27   6.784 -14.883  -5.542
  194   1HD2  ASN  27          HD22      ASN  27   5.780 -12.333  -8.569
  195   2HD2  ASN  27          HD21      ASN  27   5.908 -11.767  -6.973
  196    H    ALA  28           HN       ALA  28   4.076 -15.261  -2.859
  197    HA   ALA  28           HA       ALA  28   3.384 -17.423  -2.235
  198   1HB   ALA  28           HB2      ALA  28   2.655 -17.648  -4.689
  199   2HB   ALA  28           HB1      ALA  28   4.207 -18.445  -4.943
  200   3HB   ALA  28           HB3      ALA  28   3.033 -19.138  -3.826
  201    H    TRP  29           HN       TRP  29   6.364 -16.441  -3.319
  202    HA   TRP  29           HA       TRP  29   7.668 -18.549  -1.704
  203   1HB   TRP  29           HB1      TRP  29   8.246 -17.934  -4.580
  204   2HB   TRP  29           HB2      TRP  29   9.449 -18.647  -3.535
  205    HD1  TRP  29           HD1      TRP  29   5.717 -19.353  -4.430
  206    HE1  TRP  29           HE1      TRP  29   5.444 -21.922  -4.529
  207    HE3  TRP  29           HE3      TRP  29  10.406 -20.714  -3.191
  208    HZ2  TRP  29           HZ2      TRP  29   7.065 -24.273  -4.120
  209    HZ3  TRP  29           HZ3      TRP  29  11.069 -23.118  -3.037
  210    HH2  TRP  29           HH2      TRP  29   9.393 -24.896  -3.503
  211    H    CYS  30           HN       CYS  30   7.122 -15.590  -1.470
  212    HA   CYS  30           HA       CYS  30   9.667 -14.235  -1.809
  213   1HB   CYS  30           HB1      CYS  30   8.569 -12.461  -0.403
  214   2HB   CYS  30           HB2      CYS  30   7.687 -12.903  -1.865
  215    H    SER  31           HN       SER  31   9.823 -16.673  -0.105
  216    HA   SER  31           HA       SER  31   9.904 -16.258   2.631
  217   1HB   SER  31           HB1      SER  31  10.534 -18.411   1.923
  218   2HB   SER  31           HB2      SER  31  11.734 -17.788   0.794
  219    HG   SER  31           HG       SER  31  12.349 -18.668   3.039
  220    H    SER  32           HN       SER  32  10.421 -14.097   3.138
  221    HA   SER  32           HA       SER  32  11.770 -12.169   3.336
  222   1HB   SER  32           HB1      SER  32  14.127 -13.798   3.973
  223   2HB   SER  32           HB2      SER  32  13.302 -12.581   4.942
  224    HG   SER  32           HG       SER  32  12.764 -14.367   5.990
  225    H    ARG  33           HN       ARG  33  11.802 -11.811   1.048
  226    HA   ARG  33           HA       ARG  33  14.574 -11.896  -0.004
  227   1HB   ARG  33           HB1      ARG  33  13.521 -13.852  -1.016
  228   2HB   ARG  33           HB2      ARG  33  12.151 -12.876  -1.545
  229   1HG   ARG  33           HG1      ARG  33  13.879 -11.441  -2.802
  230   2HG   ARG  33           HG2      ARG  33  15.020 -12.751  -2.497
  231   1HD   ARG  33           HD1      ARG  33  13.523 -14.334  -3.640
  232   2HD   ARG  33           HD2      ARG  33  12.351 -13.045  -3.912
  233    HE   ARG  33           HE       ARG  33  14.545 -11.999  -5.114
  234   1HH1  ARG  33          HH21      ARG  33  14.476 -15.324  -4.904
  235   2HH1  ARG  33          HH22      ARG  33  14.432 -15.619  -6.611
  236   1HH2  ARG  33          HH11      ARG  33  13.925 -12.290  -7.443
  237   2HH2  ARG  33          HH12      ARG  33  14.121 -13.902  -8.048
  238    H    GLY  34           HN       GLY  34  11.790 -11.125  -1.984
  239   1HA   GLY  34           HA1      GLY  34  12.229  -8.222  -1.506
  240   2HA   GLY  34           HA2      GLY  34  12.345  -8.842  -3.154
  241    H    LYS  35           HN       LYS  35  10.079  -9.447  -0.438
  242    HA   LYS  35           HA       LYS  35   7.771  -9.947  -1.901
  243   1HB   LYS  35           HB1      LYS  35   7.817  -8.177   0.562
  244   2HB   LYS  35           HB2      LYS  35   6.493  -9.201   0.007
  245   1HG   LYS  35           HG1      LYS  35   7.368 -11.009   1.036
  246   2HG   LYS  35           HG2      LYS  35   8.952 -10.728   0.312
  247   1HD   LYS  35           HD1      LYS  35   8.095  -8.900   2.515
  248   2HD   LYS  35           HD2      LYS  35   8.557 -10.543   2.958
  249   1HE   LYS  35           HE1      LYS  35  10.630 -10.073   1.409
  250   2HE   LYS  35           HE2      LYS  35  10.217  -8.382   1.688
  251   1HZ   LYS  35           HZ2      LYS  35  10.392 -10.238   3.964
  252   2HZ   LYS  35           HZ3      LYS  35  11.816  -9.589   3.299
  253   3HZ   LYS  35           HZ1      LYS  35  10.628  -8.555   3.928
  254    H    VAL  36           HN       VAL  36   5.923  -8.466  -2.430
  255    HA   VAL  36           HA       VAL  36   6.933  -5.778  -3.261
  256    HB   VAL  36           HB       VAL  36   4.575  -6.664  -4.703
  257   1HG1  VAL  36          HG12      VAL  36   6.413  -4.883  -5.208
  258   2HG1  VAL  36          HG11      VAL  36   7.325  -6.246  -5.855
  259   3HG1  VAL  36          HG13      VAL  36   5.760  -5.824  -6.549
  260   1HG2  VAL  36          HG22      VAL  36   5.623  -8.913  -4.223
  261   2HG2  VAL  36          HG21      VAL  36   5.511  -8.517  -5.939
  262   3HG2  VAL  36          HG23      VAL  36   7.053  -8.365  -5.096
  263    H    LEU  37           HN       LEU  37   6.180  -5.220  -1.018
  264    HA   LEU  37           HA       LEU  37   3.222  -5.014  -0.797
  265   1HB   LEU  37           HB1      LEU  37   5.496  -5.362   1.073
  266   2HB   LEU  37           HB2      LEU  37   4.175  -4.338   1.636
  267    HG   LEU  37           HG       LEU  37   2.616  -6.067   1.448
  268   1HD1  LEU  37          HD11      LEU  37   3.389  -6.814  -0.843
  269   2HD1  LEU  37          HD13      LEU  37   4.625  -7.773  -0.032
  270   3HD1  LEU  37          HD12      LEU  37   2.918  -8.125   0.233
  271   1HD2  LEU  37          HD22      LEU  37   4.197  -6.407   3.315
  272   2HD2  LEU  37          HD21      LEU  37   3.549  -7.933   2.714
  273   3HD2  LEU  37          HD23      LEU  37   5.180  -7.429   2.266
  274    H    GLU  38           HN       GLU  38   3.718  -3.113  -2.449
  275    HA   GLU  38           HA       GLU  38   4.636  -0.701  -0.964
  276   1HB   GLU  38           HB1      GLU  38   3.898  -0.616  -3.859
  277   2HB   GLU  38           HB2      GLU  38   5.155   0.268  -2.993
  278   1HG   GLU  38           HG1      GLU  38   5.900  -2.396  -2.691
  279   2HG   GLU  38           HG2      GLU  38   5.302  -2.318  -4.349
  280    H    PHE  39           HN       PHE  39   3.416   1.316  -1.665
  281    HA   PHE  39           HA       PHE  39   0.496   0.830  -1.688
  282   1HB   PHE  39           HB1      PHE  39   1.803   3.051  -0.114
  283   2HB   PHE  39           HB2      PHE  39   0.167   2.415   0.054
  284    HD1  PHE  39           HD1      PHE  39   0.593  -0.481   0.038
  285    HD2  PHE  39           HD2      PHE  39   2.890   2.610   1.939
  286    HE1  PHE  39           HE1      PHE  39   1.401  -2.120   1.709
  287    HE2  PHE  39           HE2      PHE  39   3.703   0.969   3.617
  288    HZ   PHE  39           HZ       PHE  39   2.960  -1.403   3.498
  289    H    GLY  40           HN       GLY  40  -0.518   3.271  -2.073
  290   1HA   GLY  40           HA1      GLY  40   1.134   4.899  -3.849
  291   2HA   GLY  40           HA2      GLY  40  -0.084   3.960  -4.711
  292    H    CYS  41           HN       CYS  41  -1.134   5.952  -5.323
  293    HA   CYS  41           HA       CYS  41  -2.365   7.512  -3.128
  294   1HB   CYS  41           HB1      CYS  41  -1.167   8.489  -5.227
  295   2HB   CYS  41           HB2      CYS  41  -2.652   8.094  -6.065
  296    H    ALA  42           HN       ALA  42  -4.682   8.230  -3.882
  297    HA   ALA  42           HA       ALA  42  -6.332   6.531  -5.441
  298   1HB   ALA  42           HB3      ALA  42  -5.457   5.073  -3.358
  299   2HB   ALA  42           HB2      ALA  42  -6.855   5.835  -2.597
  300   3HB   ALA  42           HB1      ALA  42  -7.065   4.860  -4.051
  301    H    ALA  43           HN       ALA  43  -8.711   6.616  -4.457
  302    HA   ALA  43           HA       ALA  43  -9.157   9.442  -3.645
  303   1HB   ALA  43           HB1      ALA  43 -10.091   8.285  -5.867
  304   2HB   ALA  43           HB3      ALA  43 -11.362   7.768  -4.758
  305   3HB   ALA  43           HB2      ALA  43 -11.034   9.487  -4.985
  306    H    THR  44           HN       THR  44 -10.332   6.111  -3.115
  307    HA   THR  44           HA       THR  44 -11.007   6.881  -0.337
  308    HB   THR  44           HB       THR  44 -13.127   7.220  -1.431
  309    HG1  THR  44           HG1      THR  44 -12.821   5.603   0.455
  310   1HG2  THR  44          HG23      THR  44 -12.291   5.724  -3.430
  311   2HG2  THR  44          HG22      THR  44 -13.113   4.438  -2.548
  312   3HG2  THR  44          HG21      THR  44 -14.016   5.853  -3.089
  313    H    CYS  45           HN       CYS  45 -10.820   5.142   1.094
  314    HA   CYS  45           HA       CYS  45  -9.073   3.149   0.779
  315   1HB   CYS  45           HB1      CYS  45 -10.300   3.685   2.873
  316   2HB   CYS  45           HB2      CYS  45 -11.685   2.797   2.244
  317    HA   PRO  46           HA       PRO  46 -11.109   0.598  -2.312
  318   1HB   PRO  46           HB1      PRO  46  -8.908  -0.969  -2.840
  319   2HB   PRO  46           HB2      PRO  46  -9.161   0.640  -3.535
  320   1HG   PRO  46           HG1      PRO  46  -7.253  -0.223  -1.434
  321   2HG   PRO  46           HG2      PRO  46  -7.202   1.210  -2.464
  322   1HD   PRO  46           HD1      PRO  46  -8.044   1.038   0.281
  323   2HD   PRO  46           HD2      PRO  46  -8.058   2.472  -0.768
  324    H    SER  47           HN       SER  47 -11.897  -1.589  -2.352
  325    HA   SER  47           HA       SER  47 -11.124  -3.290  -0.024
  326   1HB   SER  47           HB1      SER  47 -13.201  -2.279   0.640
  327   2HB   SER  47           HB2      SER  47 -13.918  -2.576  -0.941
  328    HG   SER  47           HG       SER  47 -14.499  -4.439  -0.233
  329    H    VAL  48           HN       VAL  48  -9.941  -3.878  -2.326
  330    HA   VAL  48           HA       VAL  48 -11.633  -5.882  -3.722
  331    HB   VAL  48           HB       VAL  48  -8.922  -4.918  -4.522
  332   1HG1  VAL  48          HG11      VAL  48  -9.955  -7.072  -5.463
  333   2HG1  VAL  48          HG13      VAL  48 -11.132  -6.020  -6.249
  334   3HG1  VAL  48          HG12      VAL  48  -9.419  -5.873  -6.640
  335   1HG2  VAL  48          HG21      VAL  48 -11.644  -3.743  -4.975
  336   2HG2  VAL  48          HG23      VAL  48 -10.133  -2.918  -4.592
  337   3HG2  VAL  48          HG22      VAL  48 -10.401  -3.562  -6.212
  338    H    ASN  49           HN       ASN  49 -11.476  -7.831  -2.681
  339    HA   ASN  49           HA       ASN  49  -8.997  -8.600  -1.364
  340   1HB   ASN  49           HB1      ASN  49 -11.131  -9.121  -0.282
  341   2HB   ASN  49           HB2      ASN  49 -11.623 -10.070  -1.685
  342   1HD2  ASN  49          HD22      ASN  49 -10.173 -12.939  -0.256
  343   2HD2  ASN  49          HD21      ASN  49 -11.483 -12.242  -1.081
  344    H    THR  50           HN       THR  50  -9.126  -8.359  -4.366
  345    HA   THR  50           HA       THR  50  -9.079 -11.038  -5.459
  346    HB   THR  50           HB       THR  50  -9.482  -9.062  -6.880
  347    HG1  THR  50           HG1      THR  50  -8.429 -10.978  -7.711
  348   1HG2  THR  50          HG23      THR  50  -7.559  -7.837  -5.427
  349   2HG2  THR  50          HG22      THR  50  -6.619  -8.287  -6.851
  350   3HG2  THR  50          HG21      THR  50  -8.057  -7.281  -7.026
  351    H    GLY  51           HN       GLY  51  -7.639 -12.115  -3.906
  352   1HA   GLY  51           HA1      GLY  51  -5.531 -12.745  -3.044
  353   2HA   GLY  51           HA2      GLY  51  -5.050 -12.609  -4.737
  354    H    THR  52           HN       THR  52  -6.214  -9.823  -2.981
  355    HA   THR  52           HA       THR  52  -3.421  -8.832  -2.648
  356    HB   THR  52           HB       THR  52  -5.709  -7.454  -4.078
  357    HG1  THR  52           HG1      THR  52  -4.200  -8.852  -5.207
  358   1HG2  THR  52          HG23      THR  52  -3.524  -6.328  -2.484
  359   2HG2  THR  52          HG22      THR  52  -3.534  -5.740  -4.146
  360   3HG2  THR  52          HG21      THR  52  -4.963  -5.541  -3.133
  361    H    GLU  53           HN       GLU  53  -3.185  -8.124  -0.560
  362    HA   GLU  53           HA       GLU  53  -5.610  -7.626   1.042
  363   1HB   GLU  53           HB1      GLU  53  -2.808  -7.255   2.064
  364   2HB   GLU  53           HB2      GLU  53  -4.238  -7.826   2.926
  365   1HG   GLU  53           HG1      GLU  53  -3.826  -9.649   0.805
  366   2HG   GLU  53           HG2      GLU  53  -2.236  -9.360   1.512
  367    H    ILE  54           HN       ILE  54  -6.376  -5.606   0.192
  368    HA   ILE  54           HA       ILE  54  -4.463  -3.350   0.349
  369    HB   ILE  54           HB       ILE  54  -6.169  -3.888  -1.636
  370   1HG1  ILE  54          HG11      ILE  54  -5.756  -1.041  -0.734
  371   2HG1  ILE  54          HG12      ILE  54  -4.430  -2.034  -1.332
  372   1HG2  ILE  54          HG21      ILE  54  -7.976  -3.188   0.371
  373   2HG2  ILE  54          HG22      ILE  54  -7.821  -1.729  -0.607
  374   3HG2  ILE  54          HG23      ILE  54  -8.305  -3.249  -1.358
  375   1HD1  ILE  54          HD12      ILE  54  -6.831  -2.113  -3.033
  376   2HD1  ILE  54          HD13      ILE  54  -6.086  -0.518  -2.923
  377   3HD1  ILE  54          HD11      ILE  54  -5.140  -1.897  -3.484
  378    H    LYS  55           HN       LYS  55  -5.128  -1.357   1.422
  379    HA   LYS  55           HA       LYS  55  -7.325  -1.566   3.372
  380   1HB   LYS  55           HB1      LYS  55  -4.601  -0.851   4.423
  381   2HB   LYS  55           HB2      LYS  55  -6.016  -1.426   5.305
  382   1HG   LYS  55           HG1      LYS  55  -5.756  -3.653   4.373
  383   2HG   LYS  55           HG2      LYS  55  -4.459  -3.101   3.313
  384   1HD   LYS  55           HD1      LYS  55  -3.252  -2.392   5.489
  385   2HD   LYS  55           HD2      LYS  55  -4.430  -3.411   6.317
  386   1HE   LYS  55           HE1      LYS  55  -3.670  -5.369   5.220
  387   2HE   LYS  55           HE2      LYS  55  -2.820  -4.446   3.980
  388   1HZ   LYS  55           HZ1      LYS  55  -1.575  -3.542   6.108
  389   2HZ   LYS  55           HZ2      LYS  55  -2.022  -5.061   6.720
  390   3HZ   LYS  55           HZ3      LYS  55  -1.079  -4.953   5.311
  391    H    CYS  56           HN       CYS  56  -7.025   0.613   4.837
  392    HA   CYS  56           HA       CYS  56  -6.843   2.797   2.822
  393   1HB   CYS  56           HB1      CYS  56  -7.842   3.441   5.532
  394   2HB   CYS  56           HB2      CYS  56  -8.512   3.866   3.960
  395    H    CYS  57           HN       CYS  57  -5.395   4.500   3.107
  396    HA   CYS  57           HA       CYS  57  -3.958   4.847   5.629
  397   1HB   CYS  57           HB1      CYS  57  -2.674   2.984   4.815
  398   2HB   CYS  57           HB2      CYS  57  -2.586   3.677   3.197
  399    H    SER  58           HN       SER  58  -2.920   6.861   5.697
  400    HA   SER  58           HA       SER  58  -2.800   8.391   3.171
  401   1HB   SER  58           HB1      SER  58  -4.969   8.949   4.224
  402   2HB   SER  58           HB2      SER  58  -4.120   9.425   5.692
  403    HG   SER  58           HG       SER  58  -4.571  11.208   4.319
  404    H    ALA  59           HN       ALA  59  -1.245   7.363   5.870
  405    HA   ALA  59           HA       ALA  59   0.958   9.208   5.420
  406   1HB   ALA  59           HB2      ALA  59  -0.727   9.470   7.916
  407   2HB   ALA  59           HB1      ALA  59   0.942  10.033   7.841
  408   3HB   ALA  59           HB3      ALA  59  -0.274  10.736   6.775
  409    H    ASP  60           HN       ASP  60   0.886   8.313   8.674
  410    HA   ASP  60           HA       ASP  60   2.638   5.995   8.098
  411   1HB   ASP  60           HB1      ASP  60   3.562   7.644   9.655
  412   2HB   ASP  60           HB2      ASP  60   2.113   7.549  10.656
  413    H    LYS  61           HN       LYS  61  -0.209   5.924   7.706
  414    HA   LYS  61           HA       LYS  61  -1.089   4.098   9.867
  415   1HB   LYS  61           HB1      LYS  61  -2.702   5.825   9.617
  416   2HB   LYS  61           HB2      LYS  61  -2.595   5.769   7.858
  417   1HG   LYS  61           HG1      LYS  61  -3.672   3.597   7.805
  418   2HG   LYS  61           HG2      LYS  61  -3.621   3.482   9.565
  419   1HD   LYS  61           HD1      LYS  61  -4.888   5.942   8.958
  420   2HD   LYS  61           HD2      LYS  61  -5.610   4.735   7.893
  421   1HE   LYS  61           HE1      LYS  61  -6.907   4.246   9.698
  422   2HE   LYS  61           HE2      LYS  61  -5.488   3.365  10.264
  423   1HZ   LYS  61           HZ2      LYS  61  -4.950   5.907  10.998
  424   2HZ   LYS  61           HZ3      LYS  61  -6.630   5.822  11.233
  425   3HZ   LYS  61           HZ1      LYS  61  -5.608   4.718  12.017
  426    H    CYS  62           HN       CYS  62   0.310   4.063   6.881
  427    HA   CYS  62           HA       CYS  62  -1.158   2.122   5.433
  428   1HB   CYS  62           HB1      CYS  62   1.774   2.840   5.507
  429   2HB   CYS  62           HB2      CYS  62   1.156   1.585   4.435
  430    H    ASN  63           HN       ASN  63   1.303   1.774   7.961
  431    HA   ASN  63           HA       ASN  63   0.909  -1.169   7.879
  432   1HB   ASN  63           HB1      ASN  63   2.953  -1.316   9.196
  433   2HB   ASN  63           HB2      ASN  63   3.249  -0.282   7.798
  434   1HD2  ASN  63          HD22      ASN  63   3.256   1.334  11.563
  435   2HD2  ASN  63          HD21      ASN  63   2.676  -0.242  11.318
  436    H    THR  64           HN       THR  64   0.929   1.590  10.139
  437    HA   THR  64           HA       THR  64  -0.088   1.836  12.242
  438    HB   THR  64           HB       THR  64  -2.122  -0.153  12.091
  439    HG1  THR  64           HG1      THR  64  -2.968   0.514  10.039
  440   1HG2  THR  64          HG21      THR  64  -1.755   2.772  12.122
  441   2HG2  THR  64          HG23      THR  64  -3.268   2.224  11.400
  442   3HG2  THR  64          HG22      THR  64  -2.863   1.765  13.055
  443    H    TYR  65           HN       TYR  65   1.865   0.786  13.190
  444    HA   TYR  65           HA       TYR  65   2.272  -1.887  13.623
  445   1HB   TYR  65           HB1      TYR  65   3.684   0.136  14.407
  446   2HB   TYR  65           HB2      TYR  65   2.716   0.049  15.877
  447    HD1  TYR  65           HD1      TYR  65   4.911  -1.972  13.639
  448    HD2  TYR  65           HD2      TYR  65   3.166  -1.563  17.545
  449    HE1  TYR  65           HE1      TYR  65   6.320  -3.841  14.464
  450    HE2  TYR  65           HE2      TYR  65   4.575  -3.432  18.370
  451    HH   TYR  65           HH       TYR  65   6.954  -5.018  16.241
  452    HA   PRO  66           HA       PRO  66  -0.655  -1.824  17.393
  453   1HB   PRO  66           HB1      PRO  66  -2.276   0.379  17.694
  454   2HB   PRO  66           HB2      PRO  66  -0.678   0.224  18.443
  455   1HG   PRO  66           HG1      PRO  66  -1.526   1.871  16.100
  456   2HG   PRO  66           HG2      PRO  66  -0.184   2.133  17.226
  457   1HD   PRO  66           HD1      PRO  66  -0.013   1.061  14.598
  458   2HD   PRO  66           HD2      PRO  66   1.279   1.080  15.809
   
  No H/Q in entry =         458
  Start of MODEL   16
    1   1H    ARG   1           HT2      ARG   1   0.517  13.036  -0.731
    2   2H    ARG   1           HT3      ARG   1   1.346  14.493  -1.004
    3   3H    ARG   1           HT1      ARG   1   1.378  13.268  -2.178
    4    HA   ARG   1           HA       ARG   1   2.983  12.109  -1.152
    5   1HB   ARG   1           HB1      ARG   1   3.248  14.921  -0.723
    6   2HB   ARG   1           HB2      ARG   1   3.885  14.089   0.695
    7   1HG   ARG   1           HG1      ARG   1   5.537  12.995  -0.526
    8   2HG   ARG   1           HG2      ARG   1   4.616  13.068  -2.029
    9   1HD   ARG   1           HD1      ARG   1   5.527  15.061  -2.594
   10   2HD   ARG   1           HD2      ARG   1   5.251  15.724  -0.984
   11    HE   ARG   1           HE       ARG   1   7.495  13.830  -1.192
   12   1HH1  ARG   1          HH11      ARG   1   6.653  17.022  -2.020
   13   2HH1  ARG   1          HH12      ARG   1   8.050  17.744  -1.295
   14   1HH2  ARG   1          HH21      ARG   1   9.190  14.778   0.092
   15   2HH2  ARG   1          HH22      ARG   1   9.486  16.473  -0.099
   16    H    GLU   2           HN       GLU   2   1.461  10.662   0.034
   17    HA   GLU   2           HA       GLU   2   1.761  11.056   2.976
   18   1HB   GLU   2           HB1      GLU   2  -0.704  10.349   1.404
   19   2HB   GLU   2           HB2      GLU   2  -0.521   9.762   3.057
   20   1HG   GLU   2           HG1      GLU   2  -0.566  11.915   3.962
   21   2HG   GLU   2           HG2      GLU   2  -0.029  12.665   2.460
   22    H    CYS   3           HN       CYS   3   3.531   9.621   1.468
   23    HA   CYS   3           HA       CYS   3   3.347   6.973   2.672
   24   1HB   CYS   3           HB1      CYS   3   3.002   7.389  -0.284
   25   2HB   CYS   3           HB2      CYS   3   3.733   5.907   0.325
   26    H    TYR   4           HN       TYR   4   4.880   9.043   0.289
   27    HA   TYR   4           HA       TYR   4   7.115   9.348  -0.307
   28   1HB   TYR   4           HB1      TYR   4   8.455   9.081   2.132
   29   2HB   TYR   4           HB2      TYR   4   7.790  10.563   1.446
   30    HD1  TYR   4           HD1      TYR   4   5.294  11.092   1.917
   31    HD2  TYR   4           HD2      TYR   4   7.545   8.177   4.132
   32    HE1  TYR   4           HE1      TYR   4   3.627  11.199   3.751
   33    HE2  TYR   4           HE2      TYR   4   5.877   8.284   5.967
   34    HH   TYR   4           HH       TYR   4   3.210  10.616   5.892
   35    H    LEU   5           HN       LEU   5   7.965   7.161   2.364
   36    HA   LEU   5           HA       LEU   5   8.810   5.280   0.313
   37   1HB   LEU   5           HB1      LEU   5  10.478   6.447   2.448
   38   2HB   LEU   5           HB2      LEU   5  10.876   4.899   1.722
   39    HG   LEU   5           HG       LEU   5  10.254   7.222  -0.062
   40   1HD1  LEU   5          HD12      LEU   5  11.930   7.949   1.726
   41   2HD1  LEU   5          HD11      LEU   5  13.021   6.735   1.059
   42   3HD1  LEU   5          HD13      LEU   5  12.482   8.082   0.056
   43   1HD2  LEU   5          HD22      LEU   5  11.632   4.596  -0.183
   44   2HD2  LEU   5          HD23      LEU   5  10.679   5.423  -1.413
   45   3HD2  LEU   5          HD21      LEU   5  12.357   5.888  -1.138
   46    H    ASN   6           HN       ASN   6   8.386   5.637   3.839
   47    HA   ASN   6           HA       ASN   6   7.920   3.981   5.441
   48   1HB   ASN   6           HB1      ASN   6   5.872   2.961   5.077
   49   2HB   ASN   6           HB2      ASN   6   5.815   4.185   3.820
   50   1HD2  ASN   6          HD22      ASN   6   5.122   1.641   1.485
   51   2HD2  ASN   6          HD21      ASN   6   4.656   3.119   2.179
   52    HA   PRO   7           HA       PRO   7  10.289   0.340   4.715
   53   1HB   PRO   7           HB1      PRO   7   8.801  -1.729   5.755
   54   2HB   PRO   7           HB2      PRO   7   9.625  -0.514   6.747
   55   1HG   PRO   7           HG1      PRO   7   6.719  -0.825   6.157
   56   2HG   PRO   7           HG2      PRO   7   7.501  -0.030   7.532
   57   1HD   PRO   7           HD1      PRO   7   6.366   1.224   5.224
   58   2HD   PRO   7           HD2      PRO   7   7.307   2.017   6.506
   59    H    HIS   8           HN       HIS   8   9.054   0.924   2.284
   60    HA   HIS   8           HA       HIS   8   9.023  -1.639   0.968
   61   1HB   HIS   8           HB1      HIS   8   6.426  -0.420   1.770
   62   2HB   HIS   8           HB2      HIS   8   6.521  -1.108   0.150
   63    HD1  HIS   8           HD1      HIS   8   4.801  -2.458   2.376
   64    HD2  HIS   8           HD2      HIS   8   8.725  -3.535   1.469
   65    HE1  HIS   8           HE1      HIS   8   5.086  -4.854   3.160
   66    H    ASP   9           HN       ASP   9   7.671  -1.080  -1.350
   67    HA   ASP   9           HA       ASP   9   9.431   0.682  -2.733
   68   1HB   ASP   9           HB1      ASP   9   6.639  -0.068  -3.626
   69   2HB   ASP   9           HB2      ASP   9   8.009   0.367  -4.647
   70    H    THR  10           HN       THR  10   6.125   1.216  -1.515
   71    HA   THR  10           HA       THR  10   5.000   3.197  -1.024
   72    HB   THR  10           HB       THR  10   7.041   5.187  -1.298
   73    HG1  THR  10           HG1      THR  10   7.848   2.722  -0.146
   74   1HG2  THR  10          HG21      THR  10   5.099   4.647   0.429
   75   2HG2  THR  10          HG23      THR  10   6.413   3.878   1.303
   76   3HG2  THR  10          HG22      THR  10   6.510   5.580   0.901
   77    H    GLN  11           HN       GLN  11   4.878   5.624  -1.946
   78    HA   GLN  11           HA       GLN  11   5.576   6.396  -4.496
   79   1HB   GLN  11           HB1      GLN  11   4.721   4.532  -5.623
   80   2HB   GLN  11           HB2      GLN  11   3.373   4.349  -4.508
   81   1HG   GLN  11           HG1      GLN  11   2.066   5.832  -5.655
   82   2HG   GLN  11           HG2      GLN  11   3.424   6.902  -6.006
   83   1HE2  GLN  11          HE22      GLN  11   2.402   3.975  -8.671
   84   2HE2  GLN  11          HE21      GLN  11   1.674   4.029  -7.138
   85    H    THR  12           HN       THR  12   5.313   8.261  -3.130
   86    HA   THR  12           HA       THR  12   3.253   9.242  -1.695
   87    HB   THR  12           HB       THR  12   3.814  11.532  -2.708
   88    HG1  THR  12           HG1      THR  12   5.947  10.179  -3.909
   89   1HG2  THR  12          HG23      THR  12   5.603   9.615  -1.323
   90   2HG2  THR  12          HG22      THR  12   6.362  11.075  -1.956
   91   3HG2  THR  12          HG21      THR  12   5.034  11.200  -0.802
   92    H    CYS  13           HN       CYS  13   1.559  10.865  -2.211
   93    HA   CYS  13           HA       CYS  13   0.240  10.416  -4.851
   94   1HB   CYS  13           HB1      CYS  13  -0.943   9.041  -3.202
   95   2HB   CYS  13           HB2      CYS  13  -1.064  10.413  -2.109
   96    HA   PRO  14           HA       PRO  14   0.614  14.880  -3.454
   97   1HB   PRO  14           HB1      PRO  14   2.401  15.677  -5.396
   98   2HB   PRO  14           HB2      PRO  14   2.879  15.109  -3.786
   99   1HG   PRO  14           HG1      PRO  14   3.006  13.690  -6.423
  100   2HG   PRO  14           HG2      PRO  14   4.035  13.495  -4.993
  101   1HD   PRO  14           HD1      PRO  14   1.927  11.777  -5.760
  102   2HD   PRO  14           HD2      PRO  14   2.699  11.828  -4.162
  103    H    SER  15           HN       SER  15   0.768  13.668  -6.830
  104    HA   SER  15           HA       SER  15  -1.210  15.761  -7.596
  105   1HB   SER  15           HB1      SER  15   1.094  14.948  -8.854
  106   2HB   SER  15           HB2      SER  15  -0.131  14.018  -9.710
  107    HG   SER  15           HG       SER  15  -0.478  15.795 -10.747
  108    H    GLY  16           HN       GLY  16  -2.722  14.835  -9.472
  109   1HA   GLY  16           HA1      GLY  16  -4.435  13.340 -10.071
  110   2HA   GLY  16           HA2      GLY  16  -3.511  12.064  -9.277
  111    H    GLN  17           HN       GLN  17  -3.784  11.817  -6.949
  112    HA   GLN  17           HA       GLN  17  -6.337  13.017  -5.954
  113   1HB   GLN  17           HB1      GLN  17  -5.221  10.384  -4.996
  114   2HB   GLN  17           HB2      GLN  17  -6.879  10.979  -4.896
  115   1HG   GLN  17           HG1      GLN  17  -5.407  10.180  -7.425
  116   2HG   GLN  17           HG2      GLN  17  -6.716   9.284  -6.655
  117   1HE2  GLN  17          HE22      GLN  17  -8.259  11.338  -9.349
  118   2HE2  GLN  17          HE21      GLN  17  -7.156  10.048  -9.278
  119    H    GLU  18           HN       GLU  18  -6.033  12.082  -3.284
  120    HA   GLU  18           HA       GLU  18  -3.464  13.275  -2.383
  121   1HB   GLU  18           HB1      GLU  18  -4.712  14.627  -0.684
  122   2HB   GLU  18           HB2      GLU  18  -5.045  15.131  -2.342
  123   1HG   GLU  18           HG1      GLU  18  -6.824  13.015  -1.276
  124   2HG   GLU  18           HG2      GLU  18  -6.988  14.596  -0.511
  125    H    ILE  19           HN       ILE  19  -5.173  10.620  -2.397
  126    HA   ILE  19           HA       ILE  19  -4.938  10.044   0.528
  127    HB   ILE  19           HB       ILE  19  -6.349   8.376  -1.550
  128   1HG1  ILE  19          HG11      ILE  19  -7.019  11.020  -0.769
  129   2HG1  ILE  19          HG12      ILE  19  -8.011   9.900  -1.689
  130   1HG2  ILE  19          HG21      ILE  19  -6.500   8.594   1.471
  131   2HG2  ILE  19          HG22      ILE  19  -7.622   7.638   0.499
  132   3HG2  ILE  19          HG23      ILE  19  -5.905   7.227   0.529
  133   1HD1  ILE  19          HD13      ILE  19  -8.932   8.988   0.423
  134   2HD1  ILE  19          HD11      ILE  19  -7.946  10.129   1.336
  135   3HD1  ILE  19          HD12      ILE  19  -9.232  10.721   0.284
  136    H    CYS  20           HN       CYS  20  -4.133   7.888   1.052
  137    HA   CYS  20           HA       CYS  20  -2.158   6.915  -0.977
  138   1HB   CYS  20           HB1      CYS  20  -1.682   7.940   1.651
  139   2HB   CYS  20           HB2      CYS  20  -1.317   6.216   1.667
  140    H    TYR  21           HN       TYR  21  -2.530   4.812  -1.545
  141    HA   TYR  21           HA       TYR  21  -4.258   3.216   0.287
  142   1HB   TYR  21           HB1      TYR  21  -4.923   1.921  -1.571
  143   2HB   TYR  21           HB2      TYR  21  -4.821   3.554  -2.228
  144    HD1  TYR  21           HD1      TYR  21  -2.838   4.244  -3.572
  145    HD2  TYR  21           HD2      TYR  21  -3.417   0.186  -2.282
  146    HE1  TYR  21           HE1      TYR  21  -1.164   3.477  -5.235
  147    HE2  TYR  21           HE2      TYR  21  -1.739  -0.580  -3.944
  148    HH   TYR  21           HH       TYR  21  -0.874   0.488  -6.306
  149    H    VAL  22           HN       VAL  22  -3.603   0.946   0.663
  150    HA   VAL  22           HA       VAL  22  -0.655   0.585   0.320
  151    HB   VAL  22           HB       VAL  22  -0.454  -0.233   2.572
  152   1HG1  VAL  22          HG12      VAL  22  -0.663   2.298   2.188
  153   2HG1  VAL  22          HG11      VAL  22  -2.315   2.148   2.786
  154   3HG1  VAL  22          HG13      VAL  22  -0.957   1.738   3.832
  155   1HG2  VAL  22          HG22      VAL  22  -3.455  -0.238   2.448
  156   2HG2  VAL  22          HG21      VAL  22  -2.363  -1.517   2.982
  157   3HG2  VAL  22          HG23      VAL  22  -2.640  -0.109   4.007
  158    H    LYS  23           HN       LYS  23  -0.558  -1.042  -1.158
  159    HA   LYS  23           HA       LYS  23  -2.467  -3.313  -0.921
  160   1HB   LYS  23           HB1      LYS  23  -2.158  -2.197  -3.145
  161   2HB   LYS  23           HB2      LYS  23  -0.473  -2.715  -3.125
  162   1HG   LYS  23           HG1      LYS  23  -1.456  -5.094  -2.724
  163   2HG   LYS  23           HG2      LYS  23  -2.969  -4.399  -3.301
  164   1HD   LYS  23           HD1      LYS  23  -0.587  -3.787  -4.950
  165   2HD   LYS  23           HD2      LYS  23  -1.079  -5.480  -4.940
  166   1HE   LYS  23           HE1      LYS  23  -2.955  -5.050  -6.142
  167   2HE   LYS  23           HE2      LYS  23  -3.328  -3.606  -5.199
  168   1HZ   LYS  23           HZ2      LYS  23  -1.007  -3.180  -6.749
  169   2HZ   LYS  23           HZ3      LYS  23  -2.266  -3.721  -7.753
  170   3HZ   LYS  23           HZ1      LYS  23  -2.484  -2.342  -6.789
  171    H    SER  24           HN       SER  24  -1.768  -5.219  -0.063
  172    HA   SER  24           HA       SER  24   1.169  -5.699  -0.007
  173   1HB   SER  24           HB1      SER  24   0.261  -6.828   2.349
  174   2HB   SER  24           HB2      SER  24   1.094  -5.282   2.217
  175    HG   SER  24           HG       SER  24  -0.782  -4.215   2.279
  176    H    TRP  25           HN       TRP  25   1.406  -7.493  -1.253
  177    HA   TRP  25           HA       TRP  25  -0.244  -9.886  -0.555
  178   1HB   TRP  25           HB1      TRP  25  -0.532 -10.407  -2.932
  179   2HB   TRP  25           HB2      TRP  25  -1.193  -8.805  -2.589
  180    HD1  TRP  25           HD1      TRP  25   1.384 -10.532  -4.670
  181    HE1  TRP  25           HE1      TRP  25   2.719  -8.760  -6.001
  182    HE3  TRP  25           HE3      TRP  25  -0.190  -6.387  -2.273
  183    HZ2  TRP  25           HZ2      TRP  25   3.067  -5.889  -5.991
  184    HZ3  TRP  25           HZ3      TRP  25   0.634  -4.179  -2.883
  185    HH2  TRP  25           HH2      TRP  25   2.265  -3.884  -4.746
  186    H    CYS  26           HN       CYS  26   0.832 -11.889  -0.991
  187    HA   CYS  26           HA       CYS  26   3.648 -11.743  -1.944
  188   1HB   CYS  26           HB1      CYS  26   4.070 -11.633   0.374
  189   2HB   CYS  26           HB2      CYS  26   2.715 -12.687   0.766
  190    H    ASN  27           HN       ASN  27   4.413 -13.864  -2.657
  191    HA   ASN  27           HA       ASN  27   2.168 -15.763  -3.209
  192   1HB   ASN  27           HB1      ASN  27   4.117 -14.535  -4.934
  193   2HB   ASN  27           HB2      ASN  27   4.374 -16.279  -4.931
  194   1HD2  ASN  27          HD22      ASN  27   1.780 -15.572  -7.509
  195   2HD2  ASN  27          HD21      ASN  27   3.423 -15.198  -7.297
  196    H    ALA  28           HN       ALA  28   3.949 -17.871  -4.101
  197    HA   ALA  28           HA       ALA  28   4.815 -18.815  -1.449
  198   1HB   ALA  28           HB2      ALA  28   4.096 -20.045  -4.016
  199   2HB   ALA  28           HB1      ALA  28   5.488 -20.800  -3.241
  200   3HB   ALA  28           HB3      ALA  28   3.952 -20.694  -2.382
  201    H    TRP  29           HN       TRP  29   6.273 -16.669  -2.954
  202    HA   TRP  29           HA       TRP  29   8.917 -18.032  -3.180
  203   1HB   TRP  29           HB1      TRP  29   7.993 -15.540  -4.576
  204   2HB   TRP  29           HB2      TRP  29   9.518 -16.368  -4.808
  205    HD1  TRP  29           HD1      TRP  29   5.798 -17.550  -4.801
  206    HE1  TRP  29           HE1      TRP  29   5.502 -19.088  -6.863
  207    HE3  TRP  29           HE3      TRP  29  10.478 -17.334  -6.656
  208    HZ2  TRP  29           HZ2      TRP  29   7.107 -20.100  -9.038
  209    HZ3  TRP  29           HZ3      TRP  29  11.123 -18.579  -8.724
  210    HH2  TRP  29           HH2      TRP  29   9.434 -19.964  -9.911
  211    H    CYS  30           HN       CYS  30   7.164 -15.483  -1.553
  212    HA   CYS  30           HA       CYS  30   9.462 -13.900  -0.853
  213   1HB   CYS  30           HB1      CYS  30   7.220 -13.859   1.062
  214   2HB   CYS  30           HB2      CYS  30   8.038 -12.542   0.245
  215    H    SER  31           HN       SER  31   9.309 -16.996  -0.105
  216    HA   SER  31           HA       SER  31   9.264 -17.398   2.631
  217   1HB   SER  31           HB1      SER  31   9.979 -18.997   0.665
  218   2HB   SER  31           HB2      SER  31  11.607 -18.463   1.078
  219    HG   SER  31           HG       SER  31   9.824 -20.006   2.537
  220    H    SER  32           HN       SER  32   9.912 -15.572   3.813
  221    HA   SER  32           HA       SER  32  11.376 -13.934   4.663
  222   1HB   SER  32           HB1      SER  32  13.509 -16.025   4.538
  223   2HB   SER  32           HB2      SER  32  13.156 -14.870   5.819
  224    HG   SER  32           HG       SER  32  12.376 -16.770   6.560
  225    H    ARG  33           HN       ARG  33  11.262 -13.014   2.487
  226    HA   ARG  33           HA       ARG  33  13.999 -12.602   1.440
  227   1HB   ARG  33           HB1      ARG  33  12.990 -14.401   0.045
  228   2HB   ARG  33           HB2      ARG  33  11.668 -13.312  -0.369
  229   1HG   ARG  33           HG1      ARG  33  12.945 -12.579  -2.079
  230   2HG   ARG  33           HG2      ARG  33  13.996 -11.833  -0.874
  231   1HD   ARG  33           HD1      ARG  33  14.800 -14.466  -0.794
  232   2HD   ARG  33           HD2      ARG  33  14.421 -14.249  -2.503
  233    HE   ARG  33           HE       ARG  33  15.951 -12.015  -1.783
  234   1HH1  ARG  33          HH11      ARG  33  16.264 -15.102  -3.031
  235   2HH1  ARG  33          HH12      ARG  33  17.964 -15.248  -2.730
  236   1HH2  ARG  33          HH21      ARG  33  18.151 -12.340  -0.850
  237   2HH2  ARG  33          HH22      ARG  33  19.031 -13.685  -1.496
  238    H    GLY  34           HN       GLY  34  10.859 -11.698   0.013
  239   1HA   GLY  34           HA1      GLY  34  10.716  -9.087   1.159
  240   2HA   GLY  34           HA2      GLY  34  11.576  -8.985  -0.376
  241    H    LYS  35           HN       LYS  35   8.508  -9.990   1.106
  242    HA   LYS  35           HA       LYS  35   6.984 -10.753  -1.095
  243   1HB   LYS  35           HB1      LYS  35   5.999  -8.759   0.963
  244   2HB   LYS  35           HB2      LYS  35   5.051  -9.967   0.096
  245   1HG   LYS  35           HG1      LYS  35   5.401 -11.345   1.851
  246   2HG   LYS  35           HG2      LYS  35   7.089 -11.426   1.348
  247   1HD   LYS  35           HD1      LYS  35   7.604  -9.459   2.742
  248   2HD   LYS  35           HD2      LYS  35   5.912  -9.364   3.237
  249   1HE   LYS  35           HE1      LYS  35   6.603 -10.665   4.979
  250   2HE   LYS  35           HE2      LYS  35   6.478 -11.977   3.807
  251   1HZ   LYS  35           HZ2      LYS  35   8.935 -10.377   4.267
  252   2HZ   LYS  35           HZ3      LYS  35   8.636 -11.891   4.976
  253   3HZ   LYS  35           HZ1      LYS  35   8.785 -11.759   3.292
  254    H    VAL  36           HN       VAL  36   5.372  -9.352  -2.335
  255    HA   VAL  36           HA       VAL  36   6.774  -6.913  -3.315
  256    HB   VAL  36           HB       VAL  36   4.270  -7.725  -4.654
  257   1HG1  VAL  36          HG12      VAL  36   6.598  -6.285  -5.223
  258   2HG1  VAL  36          HG11      VAL  36   6.732  -7.743  -6.206
  259   3HG1  VAL  36          HG13      VAL  36   5.320  -6.699  -6.366
  260   1HG2  VAL  36          HG22      VAL  36   6.545  -9.643  -4.270
  261   2HG2  VAL  36          HG21      VAL  36   4.815  -9.969  -4.367
  262   3HG2  VAL  36          HG23      VAL  36   5.726  -9.602  -5.832
  263    H    LEU  37           HN       LEU  37   6.004  -6.126  -1.052
  264    HA   LEU  37           HA       LEU  37   3.172  -5.253  -1.094
  265   1HB   LEU  37           HB1      LEU  37   5.276  -5.692   0.996
  266   2HB   LEU  37           HB2      LEU  37   3.921  -4.626   1.342
  267    HG   LEU  37           HG       LEU  37   2.364  -6.355   1.182
  268   1HD1  LEU  37          HD13      LEU  37   3.183  -7.162  -1.054
  269   2HD1  LEU  37          HD12      LEU  37   4.417  -8.094  -0.209
  270   3HD1  LEU  37          HD11      LEU  37   2.710  -8.463   0.035
  271   1HD2  LEU  37          HD21      LEU  37   4.178  -6.642   3.019
  272   2HD2  LEU  37          HD23      LEU  37   3.053  -7.966   2.717
  273   3HD2  LEU  37          HD22      LEU  37   4.686  -8.029   2.057
  274    H    GLU  38           HN       GLU  38   2.944  -3.242  -2.021
  275    HA   GLU  38           HA       GLU  38   4.778  -1.096  -1.060
  276   1HB   GLU  38           HB1      GLU  38   4.706  -0.127  -3.400
  277   2HB   GLU  38           HB2      GLU  38   5.639  -1.617  -3.244
  278   1HG   GLU  38           HG1      GLU  38   2.922  -2.336  -3.754
  279   2HG   GLU  38           HG2      GLU  38   3.382  -1.105  -4.930
  280    H    PHE  39           HN       PHE  39   3.808   1.073  -1.282
  281    HA   PHE  39           HA       PHE  39   0.843   0.976  -1.423
  282   1HB   PHE  39           HB1      PHE  39   2.441   2.899   0.277
  283   2HB   PHE  39           HB2      PHE  39   0.709   2.573   0.355
  284    HD1  PHE  39           HD2      PHE  39   0.894  -0.463   0.033
  285    HD2  PHE  39           HD1      PHE  39   3.031   2.299   2.535
  286    HE1  PHE  39           HE2      PHE  39   1.316  -2.276   1.673
  287    HE2  PHE  39           HE1      PHE  39   3.454   0.486   4.176
  288    HZ   PHE  39           HZ       PHE  39   2.596  -1.802   3.745
  289    H    GLY  40           HN       GLY  40  -0.156   2.847  -2.443
  290   1HA   GLY  40           HA1      GLY  40   1.769   4.707  -3.749
  291   2HA   GLY  40           HA2      GLY  40   0.595   3.853  -4.743
  292    H    CYS  41           HN       CYS  41  -0.552   5.667  -5.412
  293    HA   CYS  41           HA       CYS  41  -1.737   7.392  -3.318
  294   1HB   CYS  41           HB1      CYS  41  -0.611   8.693  -4.956
  295   2HB   CYS  41           HB2      CYS  41  -1.256   7.741  -6.283
  296    H    ALA  42           HN       ALA  42  -3.971   7.998  -3.642
  297    HA   ALA  42           HA       ALA  42  -5.730   6.476  -5.360
  298   1HB   ALA  42           HB2      ALA  42  -5.176   5.507  -2.602
  299   2HB   ALA  42           HB1      ALA  42  -6.863   5.510  -3.119
  300   3HB   ALA  42           HB3      ALA  42  -5.661   4.603  -4.036
  301    H    ALA  43           HN       ALA  43  -8.072   6.689  -4.301
  302    HA   ALA  43           HA       ALA  43  -8.348   9.531  -3.476
  303   1HB   ALA  43           HB3      ALA  43  -9.847   7.784  -5.356
  304   2HB   ALA  43           HB2      ALA  43 -10.801   8.927  -4.410
  305   3HB   ALA  43           HB1      ALA  43  -9.507   9.512  -5.456
  306    H    THR  44           HN       THR  44  -9.691   6.256  -3.002
  307    HA   THR  44           HA       THR  44 -10.392   7.037  -0.235
  308    HB   THR  44           HB       THR  44 -12.466   7.475  -1.405
  309    HG1  THR  44           HG1      THR  44 -13.762   5.973  -0.367
  310   1HG2  THR  44          HG21      THR  44 -11.848   4.840  -2.726
  311   2HG2  THR  44          HG23      THR  44 -13.504   5.444  -2.654
  312   3HG2  THR  44          HG22      THR  44 -12.257   6.384  -3.475
  313    H    CYS  45           HN       CYS  45 -10.553   5.208   1.167
  314    HA   CYS  45           HA       CYS  45  -8.809   3.188   0.991
  315   1HB   CYS  45           HB1      CYS  45 -10.387   3.771   2.887
  316   2HB   CYS  45           HB2      CYS  45 -11.574   2.751   2.083
  317    HA   PRO  46           HA       PRO  46 -10.599   0.893  -2.464
  318   1HB   PRO  46           HB1      PRO  46  -8.310  -0.537  -3.017
  319   2HB   PRO  46           HB2      PRO  46  -8.616   1.105  -3.606
  320   1HG   PRO  46           HG1      PRO  46  -6.743   0.181  -1.496
  321   2HG   PRO  46           HG2      PRO  46  -6.724   1.684  -2.424
  322   1HD   PRO  46           HD1      PRO  46  -7.647   1.294   0.268
  323   2HD   PRO  46           HD2      PRO  46  -7.709   2.789  -0.689
  324    H    SER  47           HN       SER  47 -11.582  -1.138  -2.470
  325    HA   SER  47           HA       SER  47 -10.829  -2.977  -0.235
  326   1HB   SER  47           HB1      SER  47 -13.290  -1.822  -0.790
  327   2HB   SER  47           HB2      SER  47 -13.440  -3.436  -1.475
  328    HG   SER  47           HG       SER  47 -12.771  -2.727   1.174
  329    H    VAL  48           HN       VAL  48  -9.216  -4.019  -1.597
  330    HA   VAL  48           HA       VAL  48 -10.382  -5.626  -3.820
  331    HB   VAL  48           HB       VAL  48  -7.623  -4.605  -3.317
  332   1HG1  VAL  48          HG13      VAL  48  -7.479  -7.006  -3.940
  333   2HG1  VAL  48          HG12      VAL  48  -8.448  -6.666  -5.374
  334   3HG1  VAL  48          HG11      VAL  48  -6.842  -5.957  -5.207
  335   1HG2  VAL  48          HG23      VAL  48  -9.497  -3.337  -4.592
  336   2HG2  VAL  48          HG22      VAL  48  -7.906  -3.445  -5.344
  337   3HG2  VAL  48          HG21      VAL  48  -9.204  -4.516  -5.871
  338    H    ASN  49           HN       ASN  49 -10.364  -7.848  -3.606
  339    HA   ASN  49           HA       ASN  49  -8.837  -8.956  -1.332
  340   1HB   ASN  49           HB1      ASN  49 -11.388  -8.859  -1.078
  341   2HB   ASN  49           HB2      ASN  49 -11.437 -10.104  -2.329
  342   1HD2  ASN  49          HD22      ASN  49 -11.328 -12.077   0.743
  343   2HD2  ASN  49          HD21      ASN  49 -12.440 -11.200  -0.193
  344    H    THR  50           HN       THR  50  -8.889  -8.847  -4.583
  345    HA   THR  50           HA       THR  50  -8.731 -11.629  -5.325
  346    HB   THR  50           HB       THR  50  -7.130  -9.710  -6.905
  347    HG1  THR  50           HG1      THR  50  -8.611  -8.252  -7.087
  348   1HG2  THR  50          HG23      THR  50  -9.082 -11.914  -7.284
  349   2HG2  THR  50          HG22      THR  50  -9.061 -10.669  -8.532
  350   3HG2  THR  50          HG21      THR  50  -7.590 -11.568  -8.158
  351    H    GLY  51           HN       GLY  51  -7.318 -12.535  -3.680
  352   1HA   GLY  51           HA1      GLY  51  -5.232 -13.048  -2.701
  353   2HA   GLY  51           HA2      GLY  51  -4.672 -12.984  -4.374
  354    H    THR  52           HN       THR  52  -6.039 -10.154  -2.862
  355    HA   THR  52           HA       THR  52  -3.311  -9.032  -2.429
  356    HB   THR  52           HB       THR  52  -5.554  -7.834  -4.074
  357    HG1  THR  52           HG1      THR  52  -2.971  -8.792  -4.500
  358   1HG2  THR  52          HG23      THR  52  -3.249  -6.544  -2.654
  359   2HG2  THR  52          HG22      THR  52  -3.767  -5.905  -4.214
  360   3HG2  THR  52          HG21      THR  52  -4.900  -5.958  -2.862
  361    H    GLU  53           HN       GLU  53  -3.190  -7.903  -0.521
  362    HA   GLU  53           HA       GLU  53  -5.754  -7.403   0.906
  363   1HB   GLU  53           HB1      GLU  53  -3.131  -7.185   2.310
  364   2HB   GLU  53           HB2      GLU  53  -4.667  -7.821   2.897
  365   1HG   GLU  53           HG1      GLU  53  -4.103  -9.620   0.931
  366   2HG   GLU  53           HG2      GLU  53  -2.474  -9.197   1.455
  367    H    ILE  54           HN       ILE  54  -6.261  -5.329   0.023
  368    HA   ILE  54           HA       ILE  54  -4.173  -3.247   0.341
  369    HB   ILE  54           HB       ILE  54  -5.732  -3.638  -1.790
  370   1HG1  ILE  54          HG11      ILE  54  -5.275  -0.807  -0.885
  371   2HG1  ILE  54          HG12      ILE  54  -3.914  -1.869  -1.239
  372   1HG2  ILE  54          HG21      ILE  54  -7.672  -2.905   0.024
  373   2HG2  ILE  54          HG22      ILE  54  -7.306  -1.385  -0.792
  374   3HG2  ILE  54          HG23      ILE  54  -7.819  -2.786  -1.727
  375   1HD1  ILE  54          HD13      ILE  54  -6.144  -1.698  -3.229
  376   2HD1  ILE  54          HD11      ILE  54  -4.989  -0.369  -3.146
  377   3HD1  ILE  54          HD12      ILE  54  -4.429  -2.003  -3.497
  378    H    LYS  55           HN       LYS  55  -4.902  -1.113   1.240
  379    HA   LYS  55           HA       LYS  55  -7.202  -1.227   3.068
  380   1HB   LYS  55           HB1      LYS  55  -4.499  -0.640   4.258
  381   2HB   LYS  55           HB2      LYS  55  -5.999  -1.064   5.084
  382   1HG   LYS  55           HG1      LYS  55  -5.878  -3.339   4.136
  383   2HG   LYS  55           HG2      LYS  55  -4.387  -2.911   3.294
  384   1HD   LYS  55           HD1      LYS  55  -3.675  -2.193   5.783
  385   2HD   LYS  55           HD2      LYS  55  -4.853  -3.441   6.192
  386   1HE   LYS  55           HE1      LYS  55  -2.956  -4.143   4.025
  387   2HE   LYS  55           HE2      LYS  55  -2.238  -3.959   5.626
  388   1HZ   LYS  55           HZ1      LYS  55  -4.504  -5.366   6.108
  389   2HZ   LYS  55           HZ2      LYS  55  -3.977  -6.010   4.626
  390   3HZ   LYS  55           HZ3      LYS  55  -2.946  -6.025   5.977
  391    H    CYS  56           HN       CYS  56  -6.846   0.934   4.563
  392    HA   CYS  56           HA       CYS  56  -6.466   3.113   2.564
  393   1HB   CYS  56           HB1      CYS  56  -7.569   4.049   5.065
  394   2HB   CYS  56           HB2      CYS  56  -8.300   4.078   3.465
  395    H    CYS  57           HN       CYS  57  -4.917   4.697   2.934
  396    HA   CYS  57           HA       CYS  57  -3.619   4.867   5.571
  397   1HB   CYS  57           HB1      CYS  57  -2.416   3.009   4.526
  398   2HB   CYS  57           HB2      CYS  57  -2.113   3.988   3.092
  399    H    SER  58           HN       SER  58  -2.842   6.911   5.911
  400    HA   SER  58           HA       SER  58  -2.443   8.618   3.518
  401   1HB   SER  58           HB1      SER  58  -3.802  10.335   4.300
  402   2HB   SER  58           HB2      SER  58  -4.694   8.927   4.866
  403    HG   SER  58           HG       SER  58  -4.050   9.264   6.874
  404    H    ALA  59           HN       ALA  59  -1.109   7.331   6.230
  405    HA   ALA  59           HA       ALA  59   1.158   9.154   6.089
  406   1HB   ALA  59           HB2      ALA  59  -0.663   9.219   8.506
  407   2HB   ALA  59           HB1      ALA  59   0.996   9.816   8.532
  408   3HB   ALA  59           HB3      ALA  59  -0.198  10.573   7.476
  409    H    ASP  60           HN       ASP  60   0.883   8.030   9.238
  410    HA   ASP  60           HA       ASP  60   2.560   5.670   8.595
  411   1HB   ASP  60           HB1      ASP  60   3.481   7.232  10.275
  412   2HB   ASP  60           HB2      ASP  60   2.009   7.075  11.236
  413    H    LYS  61           HN       LYS  61  -0.251   5.769   8.085
  414    HA   LYS  61           HA       LYS  61  -1.344   3.937  10.135
  415   1HB   LYS  61           HB1      LYS  61  -2.826   5.773   9.854
  416   2HB   LYS  61           HB2      LYS  61  -2.638   5.747   8.102
  417   1HG   LYS  61           HG1      LYS  61  -3.865   3.678   7.932
  418   2HG   LYS  61           HG2      LYS  61  -3.873   3.478   9.685
  419   1HD   LYS  61           HD1      LYS  61  -4.965   6.018   9.273
  420   2HD   LYS  61           HD2      LYS  61  -5.668   5.033   7.991
  421   1HE   LYS  61           HE1      LYS  61  -5.720   3.435  10.321
  422   2HE   LYS  61           HE2      LYS  61  -6.273   5.034  10.817
  423   1HZ   LYS  61           HZ3      LYS  61  -7.599   4.779   8.549
  424   2HZ   LYS  61           HZ1      LYS  61  -7.485   3.140   8.967
  425   3HZ   LYS  61           HZ2      LYS  61  -8.218   4.238  10.036
  426    H    CYS  62           HN       CYS  62   0.243   3.848   7.265
  427    HA   CYS  62           HA       CYS  62  -1.228   2.113   5.605
  428   1HB   CYS  62           HB1      CYS  62   1.738   2.405   6.095
  429   2HB   CYS  62           HB2      CYS  62   1.103   1.265   4.910
  430    H    ASN  63           HN       ASN  63   0.614   1.429   8.529
  431    HA   ASN  63           HA       ASN  63   0.085  -1.468   8.190
  432   1HB   ASN  63           HB1      ASN  63   1.631  -1.775  10.068
  433   2HB   ASN  63           HB2      ASN  63   2.377  -0.755   8.836
  434   1HD2  ASN  63          HD22      ASN  63   2.994   1.715  11.263
  435   2HD2  ASN  63          HD21      ASN  63   3.567   0.815   9.942
  436    H    THR  64           HN       THR  64  -0.896   1.304  10.079
  437    HA   THR  64           HA       THR  64  -2.514   1.526  11.765
  438    HB   THR  64           HB       THR  64  -4.059  -0.815  11.383
  439    HG1  THR  64           HG1      THR  64  -4.293  -0.402   9.014
  440   1HG2  THR  64          HG22      THR  64  -4.365   1.895  11.568
  441   2HG2  THR  64          HG21      THR  64  -4.743   1.614   9.868
  442   3HG2  THR  64          HG23      THR  64  -5.654   0.776  11.125
  443    H    TYR  65           HN       TYR  65  -0.556   0.856  13.183
  444    HA   TYR  65           HA       TYR  65  -0.023  -1.618  14.169
  445   1HB   TYR  65           HB1      TYR  65   1.295   0.073  15.077
  446   2HB   TYR  65           HB2      TYR  65  -0.090   1.055  15.529
  447    HD1  TYR  65           HD2      TYR  65   1.335  -2.350  16.220
  448    HD2  TYR  65           HD1      TYR  65  -0.692   1.100  17.784
  449    HE1  TYR  65           HE2      TYR  65   1.382  -3.352  18.489
  450    HE2  TYR  65           HE1      TYR  65  -0.646   0.099  20.054
  451    HH   TYR  65           HH       TYR  65  -0.505  -2.463  20.930
  452    HA   PRO  66           HA       PRO  66  -3.759  -1.493  17.146
  453   1HB   PRO  66           HB1      PRO  66  -5.618   0.498  16.748
  454   2HB   PRO  66           HB2      PRO  66  -4.243   0.641  17.857
  455   1HG   PRO  66           HG1      PRO  66  -4.645   1.861  15.154
  456   2HG   PRO  66           HG2      PRO  66  -3.681   2.453  16.518
  457   1HD   PRO  66           HD1      PRO  66  -2.690   1.134  14.216
  458   2HD   PRO  66           HD2      PRO  66  -1.795   1.426  15.718
   
  No H/Q in entry =         458
  Start of MODEL   17
    1   1H    ARG   1           HT2      ARG   1   2.462  15.524  -0.794
    2   2H    ARG   1           HT3      ARG   1   3.301  16.062  -2.171
    3   3H    ARG   1           HT1      ARG   1   1.928  15.081  -2.345
    4    HA   ARG   1           HA       ARG   1   3.436  13.454  -2.579
    5   1HB   ARG   1           HB1      ARG   1   5.167  15.546  -1.849
    6   2HB   ARG   1           HB2      ARG   1   5.529  14.226  -0.733
    7   1HG   ARG   1           HG1      ARG   1   6.359  12.896  -2.390
    8   2HG   ARG   1           HG2      ARG   1   5.130  13.409  -3.547
    9   1HD   ARG   1           HD1      ARG   1   6.343  15.327  -4.167
   10   2HD   ARG   1           HD2      ARG   1   7.311  15.306  -2.693
   11    HE   ARG   1           HE       ARG   1   8.071  12.971  -3.882
   12   1HH1  ARG   1          HH21      ARG   1   6.988  14.723  -6.297
   13   2HH1  ARG   1          HH22      ARG   1   8.505  15.242  -6.954
   14   1HH2  ARG   1          HH11      ARG   1  10.340  14.270  -4.177
   15   2HH2  ARG   1          HH12      ARG   1  10.403  14.985  -5.754
   16    H    GLU   2           HN       GLU   2   2.284  11.908  -1.482
   17    HA   GLU   2           HA       GLU   2   2.741  11.722   1.467
   18   1HB   GLU   2           HB1      GLU   2   0.247  11.263  -0.167
   19   2HB   GLU   2           HB2      GLU   2   0.468  10.447   1.381
   20   1HG   GLU   2           HG1      GLU   2  -0.326  12.326   2.354
   21   2HG   GLU   2           HG2      GLU   2   1.188  13.102   1.888
   22    H    CYS   3           HN       CYS   3   2.717   9.442   2.251
   23    HA   CYS   3           HA       CYS   3   3.102   7.117   2.010
   24   1HB   CYS   3           HB1      CYS   3   3.414   7.489  -0.965
   25   2HB   CYS   3           HB2      CYS   3   2.940   6.034  -0.087
   26    H    TYR   4           HN       TYR   4   4.896   9.152  -0.247
   27    HA   TYR   4           HA       TYR   4   7.173   9.094  -0.843
   28   1HB   TYR   4           HB1      TYR   4   8.501   9.334   1.492
   29   2HB   TYR   4           HB2      TYR   4   7.593  10.659   0.765
   30    HD1  TYR   4           HD2      TYR   4   5.023  10.764   1.389
   31    HD2  TYR   4           HD1      TYR   4   7.976   8.643   3.682
   32    HE1  TYR   4           HE2      TYR   4   3.530  10.823   3.371
   33    HE2  TYR   4           HE1      TYR   4   6.482   8.702   5.662
   34    HH   TYR   4           HH       TYR   4   3.339   9.210   5.577
   35    H    LEU   5           HN       LEU   5   7.935   7.494   2.215
   36    HA   LEU   5           HA       LEU   5   8.419   5.077   0.732
   37   1HB   LEU   5           HB1      LEU   5  10.659   6.132   2.332
   38   2HB   LEU   5           HB2      LEU   5  10.665   4.879   1.103
   39    HG   LEU   5           HG       LEU   5   9.863   7.665   0.378
   40   1HD1  LEU   5          HD12      LEU   5  12.588   6.668   1.046
   41   2HD1  LEU   5          HD11      LEU   5  12.430   7.689  -0.384
   42   3HD1  LEU   5          HD13      LEU   5  11.923   8.294   1.193
   43   1HD2  LEU   5          HD23      LEU   5   9.868   5.349  -1.019
   44   2HD2  LEU   5          HD21      LEU   5  10.115   6.925  -1.773
   45   3HD2  LEU   5          HD22      LEU   5  11.503   5.915  -1.363
   46    H    ASN   6           HN       ASN   6   6.657   4.419   2.232
   47    HA   ASN   6           HA       ASN   6   7.050   4.221   5.070
   48   1HB   ASN   6           HB1      ASN   6   5.642   1.952   3.785
   49   2HB   ASN   6           HB2      ASN   6   5.070   3.041   5.044
   50   1HD2  ASN   6          HD22      ASN   6   3.814   3.564   1.278
   51   2HD2  ASN   6          HD21      ASN   6   4.651   2.181   1.798
   52    HA   PRO   7           HA       PRO   7   9.754   0.651   5.077
   53   1HB   PRO   7           HB1      PRO   7   8.465  -1.468   6.277
   54   2HB   PRO   7           HB2      PRO   7   9.092  -0.069   7.166
   55   1HG   PRO   7           HG1      PRO   7   6.276  -0.786   6.500
   56   2HG   PRO   7           HG2      PRO   7   6.891   0.230   7.814
   57   1HD   PRO   7           HD1      PRO   7   5.728   1.104   5.362
   58   2HD   PRO   7           HD2      PRO   7   6.522   2.128   6.576
   59    H    HIS   8           HN       HIS   8   8.436   0.909   2.613
   60    HA   HIS   8           HA       HIS   8   8.696  -1.753   1.473
   61   1HB   HIS   8           HB1      HIS   8   6.041  -0.494   1.978
   62   2HB   HIS   8           HB2      HIS   8   6.270  -1.287   0.424
   63    HD1  HIS   8           HD1      HIS   8   4.362  -2.475   2.587
   64    HD2  HIS   8           HD2      HIS   8   8.341  -3.616   2.092
   65    HE1  HIS   8           HE1      HIS   8   4.573  -4.790   3.592
   66    H    ASP   9           HN       ASP   9   7.494  -1.289  -0.975
   67    HA   ASP   9           HA       ASP   9   9.354   0.348  -2.341
   68   1HB   ASP   9           HB1      ASP   9   7.608  -1.434  -3.209
   69   2HB   ASP   9           HB2      ASP   9   6.589  -0.013  -3.447
   70    H    THR  10           HN       THR  10   5.897   1.118  -1.758
   71    HA   THR  10           HA       THR  10   4.930   3.178  -1.168
   72    HB   THR  10           HB       THR  10   7.400   4.795  -1.520
   73    HG1  THR  10           HG1      THR  10   7.134   2.683   0.355
   74   1HG2  THR  10          HG23      THR  10   5.152   4.515   0.448
   75   2HG2  THR  10          HG22      THR  10   6.596   5.419   0.861
   76   3HG2  THR  10          HG21      THR  10   5.624   5.916  -0.509
   77    H    GLN  11           HN       GLN  11   4.993   5.574  -2.210
   78    HA   GLN  11           HA       GLN  11   5.845   5.981  -4.853
   79   1HB   GLN  11           HB1      GLN  11   4.466   4.191  -5.624
   80   2HB   GLN  11           HB2      GLN  11   3.131   4.674  -4.577
   81   1HG   GLN  11           HG1      GLN  11   2.344   6.106  -6.133
   82   2HG   GLN  11           HG2      GLN  11   3.930   6.854  -6.325
   83   1HE2  GLN  11          HE22      GLN  11   2.604   4.502  -9.244
   84   2HE2  GLN  11          HE21      GLN  11   1.618   5.218  -8.063
   85    H    THR  12           HN       THR  12   6.088   8.069  -3.902
   86    HA   THR  12           HA       THR  12   4.380   9.591  -2.431
   87    HB   THR  12           HB       THR  12   5.442  11.516  -3.264
   88    HG1  THR  12           HG1      THR  12   5.712  11.803  -5.318
   89   1HG2  THR  12          HG22      THR  12   6.914   9.230  -2.690
   90   2HG2  THR  12          HG21      THR  12   7.654   9.846  -4.167
   91   3HG2  THR  12          HG23      THR  12   7.539  10.878  -2.741
   92    H    CYS  13           HN       CYS  13   2.926  11.393  -3.093
   93    HA   CYS  13           HA       CYS  13   1.450  10.968  -5.620
   94   1HB   CYS  13           HB1      CYS  13   0.293   9.511  -4.064
   95   2HB   CYS  13           HB2      CYS  13   0.250  10.784  -2.846
   96    HA   PRO  14           HA       PRO  14   1.917  15.369  -4.202
   97   1HB   PRO  14           HB1      PRO  14   3.303  16.206  -6.432
   98   2HB   PRO  14           HB2      PRO  14   4.078  15.599  -4.958
   99   1HG   PRO  14           HG1      PRO  14   3.706  14.254  -7.605
  100   2HG   PRO  14           HG2      PRO  14   4.968  14.001  -6.389
  101   1HD   PRO  14           HD1      PRO  14   2.705  12.346  -6.826
  102   2HD   PRO  14           HD2      PRO  14   3.780  12.291  -5.412
  103    H    SER  15           HN       SER  15   0.604  13.666  -6.867
  104    HA   SER  15           HA       SER  15  -1.176  15.980  -7.458
  105   1HB   SER  15           HB1      SER  15  -0.966  15.719  -9.810
  106   2HB   SER  15           HB2      SER  15   0.688  15.677  -9.203
  107    HG   SER  15           HG       SER  15  -0.067  13.947 -10.724
  108    H    GLY  16           HN       GLY  16  -2.999  14.997  -9.063
  109   1HA   GLY  16           HA1      GLY  16  -4.738  13.434  -9.334
  110   2HA   GLY  16           HA2      GLY  16  -3.673  12.213  -8.636
  111    H    GLN  17           HN       GLN  17  -5.028  11.325  -7.086
  112    HA   GLN  17           HA       GLN  17  -6.802  12.906  -5.440
  113   1HB   GLN  17           HB1      GLN  17  -5.735  10.095  -5.031
  114   2HB   GLN  17           HB2      GLN  17  -7.082  10.814  -4.146
  115   1HG   GLN  17           HG1      GLN  17  -8.497  10.281  -5.817
  116   2HG   GLN  17           HG2      GLN  17  -7.502  11.165  -6.974
  117   1HE2  GLN  17          HE22      GLN  17  -6.374   8.192  -8.470
  118   2HE2  GLN  17          HE21      GLN  17  -6.695   9.852  -8.614
  119    H    GLU  18           HN       GLU  18  -6.286  11.899  -2.849
  120    HA   GLU  18           HA       GLU  18  -3.548  12.873  -2.208
  121   1HB   GLU  18           HB1      GLU  18  -4.378  14.376  -0.494
  122   2HB   GLU  18           HB2      GLU  18  -5.180  14.781  -2.013
  123   1HG   GLU  18           HG1      GLU  18  -7.121  14.568  -0.865
  124   2HG   GLU  18           HG2      GLU  18  -6.826  12.830  -0.922
  125    H    ILE  19           HN       ILE  19  -5.436  10.339  -2.070
  126    HA   ILE  19           HA       ILE  19  -5.027   9.725   0.821
  127    HB   ILE  19           HB       ILE  19  -6.484   8.038  -1.203
  128   1HG1  ILE  19          HG11      ILE  19  -7.171  10.672  -0.511
  129   2HG1  ILE  19          HG12      ILE  19  -8.222   9.484  -1.266
  130   1HG2  ILE  19          HG21      ILE  19  -6.530   8.274   1.816
  131   2HG2  ILE  19          HG22      ILE  19  -7.698   7.322   0.898
  132   3HG2  ILE  19          HG23      ILE  19  -5.986   6.897   0.856
  133   1HD1  ILE  19          HD13      ILE  19  -7.887   9.793   1.732
  134   2HD1  ILE  19          HD11      ILE  19  -9.203  10.509   0.801
  135   3HD1  ILE  19          HD12      ILE  19  -9.047   8.755   0.903
  136    H    CYS  20           HN       CYS  20  -4.151   7.629   1.342
  137    HA   CYS  20           HA       CYS  20  -2.289   6.584  -0.757
  138   1HB   CYS  20           HB1      CYS  20  -1.279   7.937   1.233
  139   2HB   CYS  20           HB2      CYS  20  -1.646   6.503   2.188
  140    H    TYR  21           HN       TYR  21  -2.966   4.531  -1.277
  141    HA   TYR  21           HA       TYR  21  -4.363   2.992   0.853
  142   1HB   TYR  21           HB1      TYR  21  -5.260   1.604  -0.836
  143   2HB   TYR  21           HB2      TYR  21  -5.278   3.205  -1.566
  144    HD1  TYR  21           HD2      TYR  21  -3.072   0.175  -1.263
  145    HD2  TYR  21           HD1      TYR  21  -4.309   3.521  -3.652
  146    HE1  TYR  21           HE2      TYR  21  -1.662  -0.640  -3.133
  147    HE2  TYR  21           HE1      TYR  21  -2.900   2.706  -5.525
  148    HH   TYR  21           HH       TYR  21  -1.464  -0.432  -5.509
  149    H    VAL  22           HN       VAL  22  -3.660   0.727   1.214
  150    HA   VAL  22           HA       VAL  22  -0.767   0.406   0.544
  151    HB   VAL  22           HB       VAL  22  -0.266  -0.296   2.751
  152   1HG1  VAL  22          HG11      VAL  22  -2.293   1.961   2.858
  153   2HG1  VAL  22          HG12      VAL  22  -1.235   1.535   4.201
  154   3HG1  VAL  22          HG13      VAL  22  -0.547   2.113   2.683
  155   1HG2  VAL  22          HG23      VAL  22  -3.239  -0.658   2.973
  156   2HG2  VAL  22          HG22      VAL  22  -1.953  -1.815   3.320
  157   3HG2  VAL  22          HG21      VAL  22  -2.254  -0.472   4.424
  158    H    LYS  23           HN       LYS  23  -0.649  -1.285  -0.833
  159    HA   LYS  23           HA       LYS  23  -2.571  -3.541  -0.504
  160   1HB   LYS  23           HB1      LYS  23  -0.884  -2.517  -2.776
  161   2HB   LYS  23           HB2      LYS  23  -1.398  -4.205  -2.770
  162   1HG   LYS  23           HG1      LYS  23  -3.626  -2.518  -2.072
  163   2HG   LYS  23           HG2      LYS  23  -2.907  -1.948  -3.578
  164   1HD   LYS  23           HD1      LYS  23  -3.601  -4.851  -3.053
  165   2HD   LYS  23           HD2      LYS  23  -4.686  -3.725  -3.870
  166   1HE   LYS  23           HE1      LYS  23  -2.986  -3.319  -5.598
  167   2HE   LYS  23           HE2      LYS  23  -1.863  -4.393  -4.765
  168   1HZ   LYS  23           HZ2      LYS  23  -4.523  -5.219  -5.793
  169   2HZ   LYS  23           HZ3      LYS  23  -3.058  -5.466  -6.617
  170   3HZ   LYS  23           HZ1      LYS  23  -3.330  -6.229  -5.127
  171    H    SER  24           HN       SER  24  -1.826  -5.500   0.266
  172    HA   SER  24           HA       SER  24   1.122  -5.891   0.276
  173   1HB   SER  24           HB1      SER  24  -0.744  -6.345   2.618
  174   2HB   SER  24           HB2      SER  24   0.956  -6.802   2.584
  175    HG   SER  24           HG       SER  24   1.225  -4.853   3.317
  176    H    TRP  25           HN       TRP  25   1.417  -7.648  -0.982
  177    HA   TRP  25           HA       TRP  25  -0.147 -10.102  -0.322
  178   1HB   TRP  25           HB1      TRP  25  -0.410 -10.605  -2.713
  179   2HB   TRP  25           HB2      TRP  25  -1.162  -9.056  -2.329
  180    HD1  TRP  25           HD1      TRP  25   1.436 -10.577  -4.524
  181    HE1  TRP  25           HE1      TRP  25   2.637  -8.703  -5.840
  182    HE3  TRP  25           HE3      TRP  25  -0.258  -6.576  -1.954
  183    HZ2  TRP  25           HZ2      TRP  25   2.843  -5.820  -5.760
  184    HZ3  TRP  25           HZ3      TRP  25   0.438  -4.319  -2.527
  185    HH2  TRP  25           HH2      TRP  25   1.986  -3.893  -4.433
  186    H    CYS  26           HN       CYS  26   1.109 -11.944  -0.334
  187    HA   CYS  26           HA       CYS  26   3.904 -11.709  -1.388
  188   1HB   CYS  26           HB1      CYS  26   3.080 -12.040   1.318
  189   2HB   CYS  26           HB2      CYS  26   3.770 -13.575   0.789
  190    H    ASN  27           HN       ASN  27   4.668 -14.329  -0.885
  191    HA   ASN  27           HA       ASN  27   2.782 -15.843  -2.642
  192   1HB   ASN  27           HB1      ASN  27   5.651 -15.439  -2.718
  193   2HB   ASN  27           HB2      ASN  27   5.266 -17.158  -2.619
  194   1HD2  ASN  27          HD22      ASN  27   3.619 -15.112  -5.800
  195   2HD2  ASN  27          HD21      ASN  27   3.692 -14.355  -4.284
  196    H    ALA  28           HN       ALA  28   3.416 -15.568   0.494
  197    HA   ALA  28           HA       ALA  28   2.852 -17.013   2.263
  198   1HB   ALA  28           HB3      ALA  28   1.819 -18.356   0.033
  199   2HB   ALA  28           HB2      ALA  28   2.815 -19.547   0.867
  200   3HB   ALA  28           HB1      ALA  28   1.507 -18.737   1.727
  201    H    TRP  29           HN       TRP  29   5.525 -16.983   0.445
  202    HA   TRP  29           HA       TRP  29   6.971 -18.734   2.356
  203   1HB   TRP  29           HB1      TRP  29   7.234 -18.782  -0.641
  204   2HB   TRP  29           HB2      TRP  29   8.338 -19.564   0.459
  205    HD1  TRP  29           HD1      TRP  29   4.460 -19.532  -0.021
  206    HE1  TRP  29           HE1      TRP  29   3.649 -21.967   0.304
  207    HE3  TRP  29           HE3      TRP  29   8.882 -21.739   0.986
  208    HZ2  TRP  29           HZ2      TRP  29   4.781 -24.547   0.924
  209    HZ3  TRP  29           HZ3      TRP  29   9.039 -24.189   1.449
  210    HH2  TRP  29           HH2      TRP  29   6.986 -25.591   1.417
  211    H    CYS  30           HN       CYS  30   6.635 -15.751   1.886
  212    HA   CYS  30           HA       CYS  30   9.105 -14.753   0.811
  213   1HB   CYS  30           HB1      CYS  30   7.106 -13.453   2.671
  214   2HB   CYS  30           HB2      CYS  30   8.374 -12.626   1.781
  215    H    SER  31           HN       SER  31   9.344 -16.775   3.159
  216    HA   SER  31           HA       SER  31  10.145 -15.594   5.541
  217   1HB   SER  31           HB1      SER  31  10.214 -18.036   5.136
  218   2HB   SER  31           HB2      SER  31  11.599 -17.817   4.071
  219    HG   SER  31           HG       SER  31  11.522 -17.914   6.769
  220    H    SER  32           HN       SER  32  11.097 -13.562   5.293
  221    HA   SER  32           HA       SER  32  12.710 -11.971   4.658
  222   1HB   SER  32           HB1      SER  32  14.889 -13.943   4.827
  223   2HB   SER  32           HB2      SER  32  14.682 -12.417   5.681
  224    HG   SER  32           HG       SER  32  14.507 -14.217   7.087
  225    H    ARG  33           HN       ARG  33  11.955 -11.980   2.486
  226    HA   ARG  33           HA       ARG  33  14.031 -12.941   0.586
  227   1HB   ARG  33           HB1      ARG  33  11.198 -13.789   0.687
  228   2HB   ARG  33           HB2      ARG  33  11.781 -13.315  -0.909
  229   1HG   ARG  33           HG1      ARG  33  13.082 -15.161  -1.086
  230   2HG   ARG  33           HG2      ARG  33  13.695 -14.983   0.559
  231   1HD   ARG  33           HD1      ARG  33  11.516 -15.909   1.397
  232   2HD   ARG  33           HD2      ARG  33  11.051 -16.215  -0.276
  233    HE   ARG  33           HE       ARG  33  12.917 -17.801   1.285
  234   1HH1  ARG  33          HH21      ARG  33  14.453 -16.776  -1.130
  235   2HH1  ARG  33          HH22      ARG  33  14.154 -18.034  -2.282
  236   1HH2  ARG  33          HH11      ARG  33  11.498 -19.389  -0.511
  237   2HH2  ARG  33          HH12      ARG  33  12.482 -19.514  -1.931
  238    H    GLY  34           HN       GLY  34  10.912 -11.694  -0.404
  239   1HA   GLY  34           HA1      GLY  34  11.693  -8.909  -0.488
  240   2HA   GLY  34           HA2      GLY  34  11.883  -9.676  -2.066
  241    H    LYS  35           HN       LYS  35   9.437  -9.751   0.558
  242    HA   LYS  35           HA       LYS  35   7.177 -10.390  -0.914
  243   1HB   LYS  35           HB1      LYS  35   7.118  -8.138   1.100
  244   2HB   LYS  35           HB2      LYS  35   5.876  -9.348   0.776
  245   1HG   LYS  35           HG1      LYS  35   6.758 -10.571   2.456
  246   2HG   LYS  35           HG2      LYS  35   8.180 -10.814   1.442
  247   1HD   LYS  35           HD1      LYS  35   8.727  -8.344   2.379
  248   2HD   LYS  35           HD2      LYS  35   7.770  -8.954   3.730
  249   1HE   LYS  35           HE1      LYS  35   9.409 -10.384   4.373
  250   2HE   LYS  35           HE2      LYS  35   9.719 -10.904   2.716
  251   1HZ   LYS  35           HZ2      LYS  35  10.577  -8.280   2.888
  252   2HZ   LYS  35           HZ3      LYS  35  11.154  -9.045   4.292
  253   3HZ   LYS  35           HZ1      LYS  35  11.542  -9.673   2.764
  254    H    VAL  36           HN       VAL  36   5.575  -9.117  -2.032
  255    HA   VAL  36           HA       VAL  36   6.725  -6.669  -3.299
  256    HB   VAL  36           HB       VAL  36   4.224  -7.745  -4.424
  257   1HG1  VAL  36          HG13      VAL  36   6.937  -6.873  -5.399
  258   2HG1  VAL  36          HG12      VAL  36   5.810  -7.680  -6.487
  259   3HG1  VAL  36          HG11      VAL  36   5.362  -6.153  -5.727
  260   1HG2  VAL  36          HG21      VAL  36   6.600  -9.508  -3.997
  261   2HG2  VAL  36          HG23      VAL  36   4.892  -9.934  -4.094
  262   3HG2  VAL  36          HG22      VAL  36   5.799  -9.588  -5.566
  263    H    LEU  37           HN       LEU  37   5.964  -5.964  -0.912
  264    HA   LEU  37           HA       LEU  37   3.097  -5.201  -0.975
  265   1HB   LEU  37           HB1      LEU  37   5.185  -5.488   1.181
  266   2HB   LEU  37           HB2      LEU  37   3.679  -4.637   1.475
  267    HG   LEU  37           HG       LEU  37   2.403  -6.570   1.325
  268   1HD1  LEU  37          HD13      LEU  37   3.163  -7.151  -0.973
  269   2HD1  LEU  37          HD12      LEU  37   4.615  -7.878  -0.288
  270   3HD1  LEU  37          HD11      LEU  37   3.031  -8.573   0.059
  271   1HD2  LEU  37          HD22      LEU  37   5.121  -7.186   2.377
  272   2HD2  LEU  37          HD21      LEU  37   3.574  -7.132   3.223
  273   3HD2  LEU  37          HD23      LEU  37   3.975  -8.515   2.205
  274    H    GLU  38           HN       GLU  38   2.846  -3.190  -1.911
  275    HA   GLU  38           HA       GLU  38   4.601  -0.991  -0.903
  276   1HB   GLU  38           HB1      GLU  38   4.561  -0.018  -3.228
  277   2HB   GLU  38           HB2      GLU  38   5.473  -1.523  -3.101
  278   1HG   GLU  38           HG1      GLU  38   3.096  -2.584  -3.686
  279   2HG   GLU  38           HG2      GLU  38   2.838  -0.998  -4.415
  280    H    PHE  39           HN       PHE  39   3.566   1.112  -0.961
  281    HA   PHE  39           HA       PHE  39   0.608   0.945  -1.190
  282   1HB   PHE  39           HB1      PHE  39   2.115   2.871   0.585
  283   2HB   PHE  39           HB2      PHE  39   0.402   2.454   0.650
  284    HD1  PHE  39           HD2      PHE  39   0.869  -0.574   0.150
  285    HD2  PHE  39           HD1      PHE  39   2.608   2.235   2.895
  286    HE1  PHE  39           HE2      PHE  39   1.394  -2.428   1.708
  287    HE2  PHE  39           HE1      PHE  39   3.134   0.380   4.457
  288    HZ   PHE  39           HZ       PHE  39   2.528  -1.955   3.862
  289    H    GLY  40           HN       GLY  40  -0.442   2.744  -2.222
  290   1HA   GLY  40           HA1      GLY  40   1.417   4.729  -3.462
  291   2HA   GLY  40           HA2      GLY  40   0.223   3.890  -4.449
  292    H    CYS  41           HN       CYS  41  -0.870   5.840  -4.994
  293    HA   CYS  41           HA       CYS  41  -2.055   7.406  -2.778
  294   1HB   CYS  41           HB1      CYS  41  -0.893   8.373  -4.905
  295   2HB   CYS  41           HB2      CYS  41  -2.397   7.989  -5.710
  296    H    ALA  42           HN       ALA  42  -4.367   8.149  -3.475
  297    HA   ALA  42           HA       ALA  42  -6.090   6.516  -5.005
  298   1HB   ALA  42           HB1      ALA  42  -5.320   5.383  -2.419
  299   2HB   ALA  42           HB3      ALA  42  -7.066   5.545  -2.601
  300   3HB   ALA  42           HB2      ALA  42  -6.139   4.617  -3.780
  301    H    ALA  43           HN       ALA  43  -8.428   6.617  -3.921
  302    HA   ALA  43           HA       ALA  43  -8.783   9.430  -3.032
  303   1HB   ALA  43           HB3      ALA  43  -9.991   7.917  -5.119
  304   2HB   ALA  43           HB2      ALA  43 -11.236   8.249  -3.915
  305   3HB   ALA  43           HB1      ALA  43 -10.338   9.580  -4.646
  306    H    THR  44           HN       THR  44  -9.975   6.103  -2.524
  307    HA   THR  44           HA       THR  44 -10.502   6.785   0.292
  308    HB   THR  44           HB       THR  44 -12.610   7.357  -0.944
  309    HG1  THR  44           HG1      THR  44 -12.750   5.074   0.733
  310   1HG2  THR  44          HG22      THR  44 -12.361   4.451  -1.713
  311   2HG2  THR  44          HG21      THR  44 -13.923   5.271  -1.701
  312   3HG2  THR  44          HG23      THR  44 -12.635   5.842  -2.762
  313    H    CYS  45           HN       CYS  45 -10.588   4.917   1.615
  314    HA   CYS  45           HA       CYS  45  -8.999   2.811   1.188
  315   1HB   CYS  45           HB1      CYS  45 -10.310   3.392   3.263
  316   2HB   CYS  45           HB2      CYS  45 -11.659   2.509   2.556
  317    HA   PRO  46           HA       PRO  46 -11.265   0.757  -2.145
  318   1HB   PRO  46           HB1      PRO  46  -9.132  -0.767  -2.985
  319   2HB   PRO  46           HB2      PRO  46  -9.396   0.915  -3.475
  320   1HG   PRO  46           HG1      PRO  46  -7.393  -0.209  -1.583
  321   2HG   PRO  46           HG2      PRO  46  -7.349   1.312  -2.483
  322   1HD   PRO  46           HD1      PRO  46  -8.018   0.944   0.276
  323   2HD   PRO  46           HD2      PRO  46  -8.117   2.451  -0.659
  324    H    SER  47           HN       SER  47 -11.093  -1.814  -2.797
  325    HA   SER  47           HA       SER  47 -11.451  -3.272  -0.213
  326   1HB   SER  47           HB1      SER  47 -13.006  -4.698  -1.335
  327   2HB   SER  47           HB2      SER  47 -13.411  -3.059  -1.835
  328    HG   SER  47           HG       SER  47 -13.262  -4.003  -3.734
  329    H    VAL  48           HN       VAL  48 -11.418  -5.875  -1.532
  330    HA   VAL  48           HA       VAL  48  -8.481  -6.098  -1.919
  331    HB   VAL  48           HB       VAL  48 -10.575  -8.056  -1.084
  332   1HG1  VAL  48          HG12      VAL  48  -7.900  -8.512  -2.281
  333   2HG1  VAL  48          HG11      VAL  48  -8.290  -9.472  -0.853
  334   3HG1  VAL  48          HG13      VAL  48  -9.321  -9.556  -2.281
  335   1HG2  VAL  48          HG22      VAL  48  -9.371  -6.369   0.495
  336   2HG2  VAL  48          HG21      VAL  48  -9.480  -8.058   0.991
  337   3HG2  VAL  48          HG23      VAL  48  -7.983  -7.437   0.297
  338    H    ASN  49           HN       ASN  49  -8.075  -5.866  -4.099
  339    HA   ASN  49           HA       ASN  49  -9.853  -6.656  -6.165
  340   1HB   ASN  49           HB1      ASN  49  -8.081  -5.026  -6.568
  341   2HB   ASN  49           HB2      ASN  49  -6.854  -6.247  -6.235
  342   1HD2  ASN  49          HD21      ASN  49  -9.773  -5.934  -8.355
  343   2HD2  ASN  49          HD22      ASN  49  -9.035  -6.630  -9.716
  344    H    THR  50           HN       THR  50  -6.720  -8.082  -6.580
  345    HA   THR  50           HA       THR  50  -7.894 -10.684  -7.092
  346    HB   THR  50           HB       THR  50  -5.799  -9.682  -8.182
  347    HG1  THR  50           HG1      THR  50  -6.489 -11.970  -8.136
  348   1HG2  THR  50          HG23      THR  50  -4.971  -9.637  -5.474
  349   2HG2  THR  50          HG22      THR  50  -3.975 -10.844  -6.287
  350   3HG2  THR  50          HG21      THR  50  -4.028  -9.190  -6.895
  351    H    GLY  51           HN       GLY  51  -5.469 -12.019  -5.740
  352   1HA   GLY  51           HA1      GLY  51  -6.811 -12.439  -3.148
  353   2HA   GLY  51           HA2      GLY  51  -5.449 -13.373  -3.774
  354    H    THR  52           HN       THR  52  -5.737  -9.848  -3.518
  355    HA   THR  52           HA       THR  52  -3.305  -9.846  -1.797
  356    HB   THR  52           HB       THR  52  -4.463  -7.872  -3.779
  357    HG1  THR  52           HG1      THR  52  -2.369  -9.613  -3.645
  358   1HG2  THR  52          HG22      THR  52  -2.432  -7.397  -1.585
  359   2HG2  THR  52          HG21      THR  52  -2.509  -6.392  -3.032
  360   3HG2  THR  52          HG23      THR  52  -3.890  -6.468  -1.936
  361    H    GLU  53           HN       GLU  53  -3.275  -8.238  -0.027
  362    HA   GLU  53           HA       GLU  53  -6.016  -7.793   1.039
  363   1HB   GLU  53           HB1      GLU  53  -5.052  -7.759   3.225
  364   2HB   GLU  53           HB2      GLU  53  -4.277  -9.101   2.384
  365   1HG   GLU  53           HG1      GLU  53  -2.560  -7.156   1.701
  366   2HG   GLU  53           HG2      GLU  53  -3.146  -6.467   3.215
  367    H    ILE  54           HN       ILE  54  -6.770  -5.738   0.700
  368    HA   ILE  54           HA       ILE  54  -4.779  -3.557   0.446
  369    HB   ILE  54           HB       ILE  54  -7.345  -4.179  -0.772
  370   1HG1  ILE  54          HG11      ILE  54  -5.417  -1.921  -1.357
  371   2HG1  ILE  54          HG12      ILE  54  -5.135  -3.588  -1.858
  372   1HG2  ILE  54          HG23      ILE  54  -7.058  -1.511   0.609
  373   2HG2  ILE  54          HG22      ILE  54  -8.088  -1.717  -0.807
  374   3HG2  ILE  54          HG21      ILE  54  -8.419  -2.627   0.668
  375   1HD1  ILE  54          HD12      ILE  54  -7.786  -2.384  -2.518
  376   2HD1  ILE  54          HD13      ILE  54  -6.392  -1.837  -3.447
  377   3HD1  ILE  54          HD11      ILE  54  -6.824  -3.547  -3.427
  378    H    LYS  55           HN       LYS  55  -5.189  -1.559   1.637
  379    HA   LYS  55           HA       LYS  55  -7.060  -1.715   3.905
  380   1HB   LYS  55           HB1      LYS  55  -4.102  -1.913   4.140
  381   2HB   LYS  55           HB2      LYS  55  -4.918  -0.857   5.295
  382   1HG   LYS  55           HG1      LYS  55  -6.430  -3.279   5.022
  383   2HG   LYS  55           HG2      LYS  55  -4.745  -3.700   5.328
  384   1HD   LYS  55           HD1      LYS  55  -4.929  -3.065   7.484
  385   2HD   LYS  55           HD2      LYS  55  -5.542  -1.481   7.006
  386   1HE   LYS  55           HE1      LYS  55  -7.529  -2.123   7.870
  387   2HE   LYS  55           HE2      LYS  55  -7.667  -3.221   6.498
  388   1HZ   LYS  55           HZ3      LYS  55  -6.185  -4.732   7.975
  389   2HZ   LYS  55           HZ1      LYS  55  -6.788  -3.781   9.244
  390   3HZ   LYS  55           HZ2      LYS  55  -7.860  -4.653   8.256
  391    H    CYS  56           HN       CYS  56  -6.942   0.444   5.146
  392    HA   CYS  56           HA       CYS  56  -6.726   2.605   3.116
  393   1HB   CYS  56           HB1      CYS  56  -7.839   3.320   5.744
  394   2HB   CYS  56           HB2      CYS  56  -8.503   3.590   4.136
  395    H    CYS  57           HN       CYS  57  -5.095   4.058   3.247
  396    HA   CYS  57           HA       CYS  57  -3.786   4.532   5.876
  397   1HB   CYS  57           HB1      CYS  57  -2.480   2.761   4.782
  398   2HB   CYS  57           HB2      CYS  57  -2.331   3.754   3.332
  399    H    SER  58           HN       SER  58  -2.472   6.446   5.852
  400    HA   SER  58           HA       SER  58  -2.221   8.233   3.676
  401   1HB   SER  58           HB1      SER  58  -4.797   8.160   4.058
  402   2HB   SER  58           HB2      SER  58  -4.454   9.133   5.485
  403    HG   SER  58           HG       SER  58  -3.658  10.733   4.256
  404    H    ALA  59           HN       ALA  59  -1.139   7.236   6.435
  405    HA   ALA  59           HA       ALA  59   0.029   9.862   7.124
  406   1HB   ALA  59           HB2      ALA  59  -1.990   8.463   8.834
  407   2HB   ALA  59           HB3      ALA  59  -0.657   9.307   9.620
  408   3HB   ALA  59           HB1      ALA  59  -1.760  10.190   8.566
  409    H    ASP  60           HN       ASP  60   1.608   7.974   6.197
  410    HA   ASP  60           HA       ASP  60   3.180   6.277   6.658
  411   1HB   ASP  60           HB1      ASP  60   4.446   8.138   7.275
  412   2HB   ASP  60           HB2      ASP  60   3.404   8.496   8.639
  413    H    LYS  61           HN       LYS  61   0.518   5.820   7.641
  414    HA   LYS  61           HA       LYS  61   1.049   4.224  10.078
  415   1HB   LYS  61           HB1      LYS  61  -0.607   5.684  10.791
  416   2HB   LYS  61           HB2      LYS  61  -1.294   5.845   9.177
  417   1HG   LYS  61           HG1      LYS  61  -2.223   3.564   9.344
  418   2HG   LYS  61           HG2      LYS  61  -1.534   3.401  10.960
  419   1HD   LYS  61           HD1      LYS  61  -3.034   5.854  10.805
  420   2HD   LYS  61           HD2      LYS  61  -4.045   4.518  10.252
  421   1HE   LYS  61           HE1      LYS  61  -3.813   3.350  12.295
  422   2HE   LYS  61           HE2      LYS  61  -2.406   4.298  12.776
  423   1HZ   LYS  61           HZ1      LYS  61  -3.892   6.262  12.858
  424   2HZ   LYS  61           HZ2      LYS  61  -5.216   5.231  12.594
  425   3HZ   LYS  61           HZ3      LYS  61  -4.277   5.069  14.000
  426    H    CYS  62           HN       CYS  62   0.740   4.021   6.838
  427    HA   CYS  62           HA       CYS  62  -1.079   2.118   6.080
  428   1HB   CYS  62           HB1      CYS  62   1.875   2.015   5.397
  429   2HB   CYS  62           HB2      CYS  62   0.570   1.300   4.457
  430    H    ASN  63           HN       ASN  63   1.650   1.621   8.225
  431    HA   ASN  63           HA       ASN  63   0.718  -1.170   8.643
  432   1HB   ASN  63           HB1      ASN  63   3.115  -1.770   9.041
  433   2HB   ASN  63           HB2      ASN  63   2.793  -1.275   7.381
  434   1HD2  ASN  63          HD22      ASN  63   4.612   1.810   7.700
  435   2HD2  ASN  63          HD21      ASN  63   3.344   1.065   6.852
  436    H    THR  64           HN       THR  64  -0.349  -0.774  10.594
  437    HA   THR  64           HA       THR  64   1.307   0.452  12.767
  438    HB   THR  64           HB       THR  64  -1.453   0.400  13.477
  439    HG1  THR  64           HG1      THR  64  -2.176   0.524  11.467
  440   1HG2  THR  64          HG21      THR  64   0.819   2.233  13.184
  441   2HG2  THR  64          HG23      THR  64  -0.751   3.006  12.964
  442   3HG2  THR  64          HG22      THR  64  -0.395   2.141  14.460
  443    H    TYR  65           HN       TYR  65   1.028  -0.494  14.900
  444    HA   TYR  65           HA       TYR  65   1.465  -3.080  15.332
  445   1HB   TYR  65           HB1      TYR  65   1.292  -1.588  17.205
  446   2HB   TYR  65           HB2      TYR  65  -0.434  -1.357  16.926
  447    HD1  TYR  65           HD1      TYR  65   2.119  -3.961  17.752
  448    HD2  TYR  65           HD2      TYR  65  -2.018  -2.810  17.907
  449    HE1  TYR  65           HE1      TYR  65   1.627  -5.925  19.184
  450    HE2  TYR  65           HE2      TYR  65  -2.511  -4.776  19.339
  451    HH   TYR  65           HH       TYR  65   0.080  -7.022  20.331
  452    HA   PRO  66           HA       PRO  66  -2.360  -4.713  13.437
  453   1HB   PRO  66           HB1      PRO  66  -1.127  -6.923  12.354
  454   2HB   PRO  66           HB2      PRO  66  -1.220  -5.351  11.540
  455   1HG   PRO  66           HG1      PRO  66   1.101  -6.654  12.906
  456   2HG   PRO  66           HG2      PRO  66   1.097  -5.475  11.585
  457   1HD   PRO  66           HD1      PRO  66   1.614  -4.937  14.322
  458   2HD   PRO  66           HD2      PRO  66   1.304  -3.728  13.057
   
  No H/Q in entry =         458
  Start of MODEL   18
    1   1H    ARG   1           HT2      ARG   1   1.857  14.163  -2.358
    2   2H    ARG   1           HT3      ARG   1   3.149  15.228  -2.649
    3   3H    ARG   1           HT1      ARG   1   3.043  13.771  -3.510
    4    HA   ARG   1           HA       ARG   1   3.935  12.556  -1.871
    5   1HB   ARG   1           HB1      ARG   1   4.814  15.360  -1.619
    6   2HB   ARG   1           HB2      ARG   1   5.131  14.367  -0.196
    7   1HG   ARG   1           HG1      ARG   1   6.510  12.889  -1.380
    8   2HG   ARG   1           HG2      ARG   1   5.798  13.317  -2.935
    9   1HD   ARG   1           HD1      ARG   1   6.811  15.612  -2.674
   10   2HD   ARG   1           HD2      ARG   1   7.654  15.016  -1.244
   11    HE   ARG   1           HE       ARG   1   8.061  13.805  -3.952
   12   1HH1  ARG   1          HH21      ARG   1   9.226  12.568  -1.421
   13   2HH1  ARG   1          HH22      ARG   1  10.841  13.195  -1.454
   14   1HH2  ARG   1          HH11      ARG   1  10.119  15.660  -3.784
   15   2HH2  ARG   1          HH12      ARG   1  11.345  14.945  -2.792
   16    H    GLU   2           HN       GLU   2   1.836  11.861  -0.925
   17    HA   GLU   2           HA       GLU   2   1.573  12.917   1.841
   18   1HB   GLU   2           HB1      GLU   2  -0.887  12.061   0.350
   19   2HB   GLU   2           HB2      GLU   2  -0.745  13.167   1.717
   20   1HG   GLU   2           HG1      GLU   2   0.181  14.894   0.323
   21   2HG   GLU   2           HG2      GLU   2   0.371  13.779  -1.032
   22    H    CYS   3           HN       CYS   3   2.957  10.641   0.949
   23    HA   CYS   3           HA       CYS   3   1.547   8.583   2.519
   24   1HB   CYS   3           HB1      CYS   3   2.783   7.787  -0.110
   25   2HB   CYS   3           HB2      CYS   3   1.615   6.898   0.869
   26    H    TYR   4           HN       TYR   4   4.401   9.163   0.506
   27    HA   TYR   4           HA       TYR   4   6.648   8.470   0.851
   28   1HB   TYR   4           HB1      TYR   4   7.245   9.520   3.302
   29   2HB   TYR   4           HB2      TYR   4   7.098  10.480   1.835
   30    HD1  TYR   4           HD2      TYR   4   5.314   9.332   4.890
   31    HD2  TYR   4           HD1      TYR   4   5.222  11.977   1.504
   32    HE1  TYR   4           HE2      TYR   4   3.400  10.549   5.893
   33    HE2  TYR   4           HE1      TYR   4   3.307  13.195   2.507
   34    HH   TYR   4           HH       TYR   4   1.642  11.996   5.324
   35    H    LEU   5           HN       LEU   5   8.007   7.962   3.301
   36    HA   LEU   5           HA       LEU   5   8.466   6.194   4.750
   37   1HB   LEU   5           HB1      LEU   5   5.495   6.112   4.620
   38   2HB   LEU   5           HB2      LEU   5   6.360   4.851   5.473
   39    HG   LEU   5           HG       LEU   5   6.761   7.819   5.963
   40   1HD1  LEU   5          HD13      LEU   5   4.451   7.145   6.537
   41   2HD1  LEU   5          HD12      LEU   5   5.084   5.825   7.523
   42   3HD1  LEU   5          HD11      LEU   5   5.389   7.499   7.988
   43   1HD2  LEU   5          HD22      LEU   5   7.543   5.340   7.533
   44   2HD2  LEU   5          HD23      LEU   5   8.642   6.369   6.614
   45   3HD2  LEU   5          HD21      LEU   5   7.832   7.003   8.046
   46    H    ASN   6           HN       ASN   6   9.639   5.201   2.946
   47    HA   ASN   6           HA       ASN   6   8.132   2.885   1.823
   48   1HB   ASN   6           HB1      ASN   6   8.632   4.603   0.103
   49   2HB   ASN   6           HB2      ASN   6  10.350   4.426   0.458
   50   1HD2  ASN   6          HD22      ASN   6   8.474   1.671  -1.873
   51   2HD2  ASN   6          HD21      ASN   6   7.631   2.992  -1.221
   52    HA   PRO   7           HA       PRO   7  11.947   1.338   3.986
   53   1HB   PRO   7           HB1      PRO   7  10.615  -0.074   5.942
   54   2HB   PRO   7           HB2      PRO   7  11.174   1.595   6.155
   55   1HG   PRO   7           HG1      PRO   7   8.405   0.558   5.674
   56   2HG   PRO   7           HG2      PRO   7   8.920   2.021   6.531
   57   1HD   PRO   7           HD1      PRO   7   7.901   1.912   3.890
   58   2HD   PRO   7           HD2      PRO   7   8.758   3.287   4.619
   59    H    HIS   8           HN       HIS   8   8.923   0.213   2.794
   60    HA   HIS   8           HA       HIS   8   9.989  -1.948   1.312
   61   1HB   HIS   8           HB1      HIS   8  10.281  -3.185   3.353
   62   2HB   HIS   8           HB2      HIS   8   8.712  -2.667   3.967
   63    HD1  HIS   8           HD1      HIS   8   6.671  -4.007   3.281
   64    HD2  HIS   8           HD2      HIS   8  10.098  -5.158   1.207
   65    HE1  HIS   8           HE1      HIS   8   6.039  -6.062   1.948
   66    H    ASP   9           HN       ASP   9   8.225   0.291   1.064
   67    HA   ASP   9           HA       ASP   9   6.249  -0.627  -0.647
   68   1HB   ASP   9           HB1      ASP   9   4.206  -0.433   0.966
   69   2HB   ASP   9           HB2      ASP   9   5.129  -1.932   0.965
   70    H    THR  10           HN       THR  10   4.069   0.956  -0.211
   71    HA   THR  10           HA       THR  10   3.281   3.155  -0.192
   72    HB   THR  10           HB       THR  10   5.764   4.342   0.893
   73    HG1  THR  10           HG1      THR  10   4.238   2.903   2.709
   74   1HG2  THR  10          HG23      THR  10   2.809   4.530   1.178
   75   2HG2  THR  10          HG22      THR  10   3.778   4.967   2.586
   76   3HG2  THR  10          HG21      THR  10   4.016   5.810   1.055
   77    H    GLN  11           HN       GLN  11   3.966   5.417  -1.002
   78    HA   GLN  11           HA       GLN  11   6.177   5.857  -2.661
   79   1HB   GLN  11           HB1      GLN  11   5.484   5.327  -4.856
   80   2HB   GLN  11           HB2      GLN  11   4.995   3.916  -3.921
   81   1HG   GLN  11           HG1      GLN  11   2.742   5.271  -3.642
   82   2HG   GLN  11           HG2      GLN  11   3.303   6.095  -5.097
   83   1HE2  GLN  11          HE22      GLN  11   2.327   3.434  -7.174
   84   2HE2  GLN  11          HE21      GLN  11   2.700   5.081  -7.015
   85    H    THR  12           HN       THR  12   6.133   7.995  -2.237
   86    HA   THR  12           HA       THR  12   4.157   9.665  -1.470
   87    HB   THR  12           HB       THR  12   5.414  11.501  -2.266
   88    HG1  THR  12           HG1      THR  12   6.403   9.708  -4.222
   89   1HG2  THR  12          HG22      THR  12   6.613   9.480  -0.919
   90   2HG2  THR  12          HG21      THR  12   7.669   9.584  -2.326
   91   3HG2  THR  12          HG23      THR  12   7.422  10.999  -1.304
   92    H    CYS  13           HN       CYS  13   2.555  10.958  -2.391
   93    HA   CYS  13           HA       CYS  13   1.741  10.225  -5.175
   94   1HB   CYS  13           HB1      CYS  13   0.065   9.379  -3.706
   95   2HB   CYS  13           HB2      CYS  13   0.120  10.817  -2.689
   96    HA   PRO  14           HA       PRO  14   2.706  14.671  -5.302
   97   1HB   PRO  14           HB1      PRO  14   3.550  14.590  -7.922
   98   2HB   PRO  14           HB2      PRO  14   4.597  14.249  -6.534
   99   1HG   PRO  14           HG1      PRO  14   3.359  12.357  -8.496
  100   2HG   PRO  14           HG2      PRO  14   4.859  12.186  -7.569
  101   1HD   PRO  14           HD1      PRO  14   2.375  10.962  -6.967
  102   2HD   PRO  14           HD2      PRO  14   3.767  11.083  -5.870
  103    H    SER  15           HN       SER  15   1.651  13.342  -8.451
  104    HA   SER  15           HA       SER  15  -0.547  15.352  -8.444
  105   1HB   SER  15           HB1      SER  15  -0.575  15.150 -10.828
  106   2HB   SER  15           HB2      SER  15   1.123  15.223 -10.366
  107    HG   SER  15           HG       SER  15   0.269  13.452 -11.858
  108    H    GLY  16           HN       GLY  16  -2.680  14.706  -8.492
  109   1HA   GLY  16           HA1      GLY  16  -4.168  12.769  -9.380
  110   2HA   GLY  16           HA2      GLY  16  -3.163  11.764  -8.335
  111    H    GLN  17           HN       GLN  17  -4.467  11.216  -6.634
  112    HA   GLN  17           HA       GLN  17  -6.346  13.210  -5.523
  113   1HB   GLN  17           HB1      GLN  17  -5.846  10.323  -4.734
  114   2HB   GLN  17           HB2      GLN  17  -7.169  11.338  -4.159
  115   1HG   GLN  17           HG1      GLN  17  -6.672  10.591  -7.058
  116   2HG   GLN  17           HG2      GLN  17  -7.886   9.850  -6.013
  117   1HE2  GLN  17          HE22      GLN  17  -9.606  13.183  -5.797
  118   2HE2  GLN  17          HE21      GLN  17  -8.857  12.162  -4.666
  119    H    GLU  18           HN       GLU  18  -6.259  12.246  -2.805
  120    HA   GLU  18           HA       GLU  18  -3.543  13.175  -1.967
  121   1HB   GLU  18           HB1      GLU  18  -6.162  13.836  -0.588
  122   2HB   GLU  18           HB2      GLU  18  -4.561  14.435  -0.152
  123   1HG   GLU  18           HG1      GLU  18  -4.797  15.067  -2.855
  124   2HG   GLU  18           HG2      GLU  18  -6.405  15.389  -2.207
  125    H    ILE  19           HN       ILE  19  -5.624  10.628  -1.965
  126    HA   ILE  19           HA       ILE  19  -4.938   9.711   0.787
  127    HB   ILE  19           HB       ILE  19  -6.718   8.315  -1.201
  128   1HG1  ILE  19          HG11      ILE  19  -7.113  10.922  -0.109
  129   2HG1  ILE  19          HG12      ILE  19  -8.254   9.964  -1.042
  130   1HG2  ILE  19          HG21      ILE  19  -6.501   8.317   1.826
  131   2HG2  ILE  19          HG22      ILE  19  -7.764   7.475   0.925
  132   3HG2  ILE  19          HG23      ILE  19  -6.075   6.999   0.734
  133   1HD1  ILE  19          HD13      ILE  19  -9.029   8.872   1.048
  134   2HD1  ILE  19          HD11      ILE  19  -7.907   9.872   1.972
  135   3HD1  ILE  19          HD12      ILE  19  -9.248  10.622   1.106
  136    H    CYS  20           HN       CYS  20  -4.196   7.495   1.006
  137    HA   CYS  20           HA       CYS  20  -2.684   6.528  -1.385
  138   1HB   CYS  20           HB1      CYS  20  -1.632   6.095   1.398
  139   2HB   CYS  20           HB2      CYS  20  -0.755   6.090  -0.129
  140    H    TYR  21           HN       TYR  21  -3.045   4.401  -1.864
  141    HA   TYR  21           HA       TYR  21  -4.588   2.839   0.157
  142   1HB   TYR  21           HB1      TYR  21  -5.483   1.550  -1.599
  143   2HB   TYR  21           HB2      TYR  21  -5.415   3.163  -2.305
  144    HD1  TYR  21           HD2      TYR  21  -3.497  -0.032  -2.014
  145    HD2  TYR  21           HD1      TYR  21  -4.168   3.563  -4.266
  146    HE1  TYR  21           HE2      TYR  21  -2.005  -0.872  -3.806
  147    HE2  TYR  21           HE1      TYR  21  -2.677   2.718  -6.058
  148    HH   TYR  21           HH       TYR  21  -0.513   0.454  -5.728
  149    H    VAL  22           HN       VAL  22  -3.788   0.715   0.707
  150    HA   VAL  22           HA       VAL  22  -0.917   0.392  -0.019
  151    HB   VAL  22           HB       VAL  22  -0.490  -0.526   2.150
  152   1HG1  VAL  22          HG13      VAL  22  -0.914   2.015   1.910
  153   2HG1  VAL  22          HG11      VAL  22  -2.449   1.698   2.719
  154   3HG1  VAL  22          HG12      VAL  22  -0.931   1.343   3.540
  155   1HG2  VAL  22          HG23      VAL  22  -3.471  -0.756   2.229
  156   2HG2  VAL  22          HG22      VAL  22  -2.245  -1.933   2.697
  157   3HG2  VAL  22          HG21      VAL  22  -2.596  -0.562   3.748
  158    H    LYS  23           HN       LYS  23  -0.744  -1.216  -1.495
  159    HA   LYS  23           HA       LYS  23  -2.500  -3.612  -1.166
  160   1HB   LYS  23           HB1      LYS  23  -2.725  -2.512  -3.350
  161   2HB   LYS  23           HB2      LYS  23  -0.982  -2.618  -3.598
  162   1HG   LYS  23           HG1      LYS  23  -1.319  -5.171  -3.225
  163   2HG   LYS  23           HG2      LYS  23  -3.021  -4.835  -3.537
  164   1HD   LYS  23           HD1      LYS  23  -0.789  -3.985  -5.400
  165   2HD   LYS  23           HD2      LYS  23  -1.683  -5.496  -5.584
  166   1HE   LYS  23           HE1      LYS  23  -3.776  -4.276  -5.829
  167   2HE   LYS  23           HE2      LYS  23  -2.963  -2.747  -5.493
  168   1HZ   LYS  23           HZ3      LYS  23  -1.559  -3.964  -7.546
  169   2HZ   LYS  23           HZ1      LYS  23  -3.199  -4.125  -7.945
  170   3HZ   LYS  23           HZ2      LYS  23  -2.546  -2.586  -7.645
  171    H    SER  24           HN       SER  24  -1.512  -5.549  -0.682
  172    HA   SER  24           HA       SER  24   1.442  -5.678  -1.006
  173   1HB   SER  24           HB1      SER  24  -0.157  -5.936   1.500
  174   2HB   SER  24           HB2      SER  24   1.228  -7.006   1.304
  175    HG   SER  24           HG       SER  24   1.608  -4.859   2.285
  176    H    TRP  25           HN       TRP  25   1.894  -7.446  -2.210
  177    HA   TRP  25           HA       TRP  25   0.434  -9.974  -1.613
  178   1HB   TRP  25           HB1      TRP  25   0.065 -10.392  -4.010
  179   2HB   TRP  25           HB2      TRP  25  -0.740  -8.901  -3.512
  180    HD1  TRP  25           HD1      TRP  25   1.822 -10.183  -5.902
  181    HE1  TRP  25           HE1      TRP  25   2.882  -8.185  -7.158
  182    HE3  TRP  25           HE3      TRP  25   0.055  -6.419  -3.051
  183    HZ2  TRP  25           HZ2      TRP  25   2.955  -5.302  -6.922
  184    HZ3  TRP  25           HZ3      TRP  25   0.613  -4.101  -3.524
  185    HH2  TRP  25           HH2      TRP  25   2.061  -3.494  -5.459
  186    H    CYS  26           HN       CYS  26   1.909 -11.581  -1.406
  187    HA   CYS  26           HA       CYS  26   4.617 -11.178  -2.576
  188   1HB   CYS  26           HB1      CYS  26   5.126 -11.722  -0.415
  189   2HB   CYS  26           HB2      CYS  26   3.549 -12.440  -0.126
  190    H    ASN  27           HN       ASN  27   5.629 -13.365  -3.343
  191    HA   ASN  27           HA       ASN  27   3.613 -14.682  -5.092
  192   1HB   ASN  27           HB1      ASN  27   6.115 -13.650  -5.666
  193   2HB   ASN  27           HB2      ASN  27   6.440 -15.376  -5.504
  194   1HD2  ASN  27          HD22      ASN  27   5.402 -14.825  -9.031
  195   2HD2  ASN  27          HD21      ASN  27   6.711 -14.363  -8.056
  196    H    ALA  28           HN       ALA  28   4.880 -17.102  -5.579
  197    HA   ALA  28           HA       ALA  28   4.335 -18.490  -3.070
  198   1HB   ALA  28           HB2      ALA  28   4.844 -19.307  -5.895
  199   2HB   ALA  28           HB1      ALA  28   5.073 -20.504  -4.621
  200   3HB   ALA  28           HB3      ALA  28   3.500 -19.735  -4.836
  201    H    TRP  29           HN       TRP  29   7.009 -16.985  -4.209
  202    HA   TRP  29           HA       TRP  29   8.756 -18.682  -2.521
  203   1HB   TRP  29           HB1      TRP  29   9.354 -17.847  -5.349
  204   2HB   TRP  29           HB2      TRP  29  10.521 -18.536  -4.254
  205    HD1  TRP  29           HD1      TRP  29   6.961 -19.521  -5.522
  206    HE1  TRP  29           HE1      TRP  29   6.982 -22.082  -5.881
  207    HE3  TRP  29           HE3      TRP  29  11.684 -20.517  -4.056
  208    HZ2  TRP  29           HZ2      TRP  29   8.817 -24.284  -5.571
  209    HZ3  TRP  29           HZ3      TRP  29  12.591 -22.845  -4.081
  210    HH2  TRP  29           HH2      TRP  29  11.154 -24.726  -4.840
  211    H    CYS  30           HN       CYS  30   7.534 -15.861  -2.394
  212    HA   CYS  30           HA       CYS  30   9.710 -14.010  -2.760
  213   1HB   CYS  30           HB1      CYS  30   8.403 -12.406  -1.563
  214   2HB   CYS  30           HB2      CYS  30   7.308 -13.333  -2.584
  215    H    SER  31           HN       SER  31   9.735 -16.524  -0.663
  216    HA   SER  31           HA       SER  31  10.252 -15.700   1.902
  217   1HB   SER  31           HB1      SER  31  10.618 -18.000   1.421
  218   2HB   SER  31           HB2      SER  31  11.808 -17.633   0.177
  219    HG   SER  31           HG       SER  31  12.063 -17.349   2.972
  220    H    SER  32           HN       SER  32  10.986 -13.565   2.012
  221    HA   SER  32           HA       SER  32  12.477 -11.764   1.801
  222   1HB   SER  32           HB1      SER  32  14.779 -13.586   2.154
  223   2HB   SER  32           HB2      SER  32  14.356 -12.120   3.035
  224    HG   SER  32           HG       SER  32  13.360 -13.272   4.461
  225    H    ARG  33           HN       ARG  33  11.950 -11.834  -0.511
  226    HA   ARG  33           HA       ARG  33  14.448 -12.281  -2.094
  227   1HB   ARG  33           HB1      ARG  33  11.806 -13.471  -2.496
  228   2HB   ARG  33           HB2      ARG  33  12.391 -12.624  -3.930
  229   1HG   ARG  33           HG1      ARG  33  14.596 -14.057  -2.852
  230   2HG   ARG  33           HG2      ARG  33  13.227 -15.169  -2.887
  231   1HD   ARG  33           HD1      ARG  33  13.119 -13.734  -5.315
  232   2HD   ARG  33           HD2      ARG  33  14.813 -14.166  -5.089
  233    HE   ARG  33           HE       ARG  33  13.203 -16.457  -4.531
  234   1HH1  ARG  33          HH11      ARG  33  15.503 -15.549  -6.620
  235   2HH1  ARG  33          HH12      ARG  33  14.821 -16.259  -8.046
  236   1HH2  ARG  33          HH21      ARG  33  11.741 -16.883  -6.581
  237   2HH2  ARG  33          HH22      ARG  33  12.690 -17.016  -8.022
  238    H    GLY  34           HN       GLY  34  11.388 -11.162  -3.407
  239   1HA   GLY  34           HA1      GLY  34  12.215  -8.336  -3.238
  240   2HA   GLY  34           HA2      GLY  34  12.156  -9.026  -4.863
  241    H    LYS  35           HN       LYS  35  10.055  -9.479  -2.015
  242    HA   LYS  35           HA       LYS  35   7.629  -9.766  -3.311
  243   1HB   LYS  35           HB1      LYS  35   8.073  -8.152  -0.780
  244   2HB   LYS  35           HB2      LYS  35   6.550  -8.882  -1.290
  245   1HG   LYS  35           HG1      LYS  35   7.249 -11.020  -0.774
  246   2HG   LYS  35           HG2      LYS  35   8.943 -10.661  -1.108
  247   1HD   LYS  35           HD1      LYS  35   9.239 -10.466   1.120
  248   2HD   LYS  35           HD2      LYS  35   8.263  -8.998   1.048
  249   1HE   LYS  35           HE1      LYS  35   6.256 -10.206   1.547
  250   2HE   LYS  35           HE2      LYS  35   7.048 -11.761   1.285
  251   1HZ   LYS  35           HZ3      LYS  35   8.564 -10.490   3.186
  252   2HZ   LYS  35           HZ1      LYS  35   6.962 -10.157   3.634
  253   3HZ   LYS  35           HZ2      LYS  35   7.474 -11.766   3.446
  254    H    VAL  36           HN       VAL  36   5.975  -8.317  -4.006
  255    HA   VAL  36           HA       VAL  36   6.997  -5.602  -4.723
  256    HB   VAL  36           HB       VAL  36   4.479  -6.418  -5.971
  257   1HG1  VAL  36          HG11      VAL  36   6.708  -4.796  -6.504
  258   2HG1  VAL  36          HG13      VAL  36   6.755  -6.062  -7.729
  259   3HG1  VAL  36          HG12      VAL  36   5.317  -5.058  -7.555
  260   1HG2  VAL  36          HG21      VAL  36   6.957  -8.096  -6.480
  261   2HG2  VAL  36          HG23      VAL  36   5.442  -8.671  -5.784
  262   3HG2  VAL  36          HG22      VAL  36   5.492  -8.129  -7.462
  263    H    LEU  37           HN       LEU  37   6.401  -5.298  -2.290
  264    HA   LEU  37           HA       LEU  37   3.493  -4.824  -1.973
  265   1HB   LEU  37           HB1      LEU  37   5.770  -5.451  -0.145
  266   2HB   LEU  37           HB2      LEU  37   4.416  -4.529   0.498
  267    HG   LEU  37           HG       LEU  37   2.875  -6.255  -0.042
  268   1HD1  LEU  37          HD11      LEU  37   5.136  -7.511  -1.613
  269   2HD1  LEU  37          HD13      LEU  37   3.588  -8.299  -1.312
  270   3HD1  LEU  37          HD12      LEU  37   3.653  -6.823  -2.274
  271   1HD2  LEU  37          HD22      LEU  37   4.224  -6.732   1.945
  272   2HD2  LEU  37          HD21      LEU  37   3.766  -8.221   1.119
  273   3HD2  LEU  37          HD23      LEU  37   5.400  -7.580   0.939
  274    H    GLU  38           HN       GLU  38   3.071  -2.762  -2.689
  275    HA   GLU  38           HA       GLU  38   4.516  -0.550  -1.313
  276   1HB   GLU  38           HB1      GLU  38   3.989   0.610  -3.718
  277   2HB   GLU  38           HB2      GLU  38   5.552  -0.076  -3.277
  278   1HG   GLU  38           HG1      GLU  38   5.059  -2.140  -4.399
  279   2HG   GLU  38           HG2      GLU  38   3.358  -1.707  -4.586
  280    H    PHE  39           HN       PHE  39   3.244   1.533  -1.650
  281    HA   PHE  39           HA       PHE  39   0.335   1.008  -1.821
  282   1HB   PHE  39           HB1      PHE  39   1.493   2.993   0.134
  283   2HB   PHE  39           HB2      PHE  39  -0.090   2.225   0.164
  284    HD1  PHE  39           HD1      PHE  39   0.576  -0.610  -0.300
  285    HD2  PHE  39           HD2      PHE  39   2.556   2.317   2.143
  286    HE1  PHE  39           HE1      PHE  39   1.481  -2.420   1.124
  287    HE2  PHE  39           HE2      PHE  39   3.461   0.501   3.576
  288    HZ   PHE  39           HZ       PHE  39   2.926  -1.875   3.061
  289    H    GLY  40           HN       GLY  40  -0.726   2.538  -3.117
  290   1HA   GLY  40           HA1      GLY  40   1.030   4.711  -4.174
  291   2HA   GLY  40           HA2      GLY  40  -0.290   3.973  -5.074
  292    H    CYS  41           HN       CYS  41  -1.284   5.971  -5.480
  293    HA   CYS  41           HA       CYS  41  -2.218   7.575  -3.171
  294   1HB   CYS  41           HB1      CYS  41  -1.121   8.470  -5.374
  295   2HB   CYS  41           HB2      CYS  41  -2.711   8.223  -6.063
  296    H    ALA  42           HN       ALA  42  -4.534   8.496  -3.832
  297    HA   ALA  42           HA       ALA  42  -6.442   7.033  -5.242
  298   1HB   ALA  42           HB2      ALA  42  -5.496   5.614  -2.889
  299   2HB   ALA  42           HB1      ALA  42  -7.230   5.922  -2.798
  300   3HB   ALA  42           HB3      ALA  42  -6.560   5.051  -4.178
  301    H    ALA  43           HN       ALA  43  -8.689   7.142  -3.998
  302    HA   ALA  43           HA       ALA  43  -8.840   9.861  -2.808
  303   1HB   ALA  43           HB3      ALA  43 -10.001   9.440  -5.019
  304   2HB   ALA  43           HB2      ALA  43 -11.065   8.323  -4.164
  305   3HB   ALA  43           HB1      ALA  43 -11.054  10.034  -3.734
  306    H    THR  44           HN       THR  44 -10.202   6.566  -2.596
  307    HA   THR  44           HA       THR  44 -10.596   7.019   0.305
  308    HB   THR  44           HB       THR  44 -12.758   7.574  -0.849
  309    HG1  THR  44           HG1      THR  44 -12.583   6.551   1.274
  310   1HG2  THR  44          HG22      THR  44 -12.197   5.667  -2.606
  311   2HG2  THR  44          HG21      THR  44 -13.095   4.666  -1.463
  312   3HG2  THR  44          HG23      THR  44 -13.869   6.065  -2.208
  313    H    CYS  45           HN       CYS  45 -10.611   5.050   1.502
  314    HA   CYS  45           HA       CYS  45  -8.920   3.065   0.888
  315   1HB   CYS  45           HB1      CYS  45 -10.255   3.481   3.023
  316   2HB   CYS  45           HB2      CYS  45 -11.513   2.492   2.293
  317    HA   PRO  46           HA       PRO  46 -11.045   0.927  -2.422
  318   1HB   PRO  46           HB1      PRO  46  -9.002  -0.853  -2.941
  319   2HB   PRO  46           HB2      PRO  46  -9.038   0.816  -3.532
  320   1HG   PRO  46           HG1      PRO  46  -7.332  -0.385  -1.439
  321   2HG   PRO  46           HG2      PRO  46  -7.126   1.137  -2.308
  322   1HD   PRO  46           HD1      PRO  46  -8.157   0.722   0.366
  323   2HD   PRO  46           HD2      PRO  46  -7.905   2.262  -0.484
  324    H    SER  47           HN       SER  47 -12.085  -1.125  -2.699
  325    HA   SER  47           HA       SER  47 -12.033  -2.846  -0.260
  326   1HB   SER  47           HB1      SER  47 -14.271  -3.586  -0.946
  327   2HB   SER  47           HB2      SER  47 -14.220  -1.828  -0.838
  328    HG   SER  47           HG       SER  47 -15.076  -3.043  -2.853
  329    H    VAL  48           HN       VAL  48 -10.018  -3.117  -2.305
  330    HA   VAL  48           HA       VAL  48 -10.822  -5.623  -3.685
  331    HB   VAL  48           HB       VAL  48  -8.588  -3.685  -4.105
  332   1HG1  VAL  48          HG12      VAL  48  -7.663  -5.969  -4.280
  333   2HG1  VAL  48          HG11      VAL  48  -8.946  -6.392  -5.413
  334   3HG1  VAL  48          HG13      VAL  48  -7.734  -5.190  -5.861
  335   1HG2  VAL  48          HG22      VAL  48 -11.105  -4.448  -5.456
  336   2HG2  VAL  48          HG21      VAL  48 -10.274  -2.892  -5.426
  337   3HG2  VAL  48          HG23      VAL  48  -9.727  -4.165  -6.519
  338    H    ASN  49           HN       ASN  49 -10.493  -7.314  -2.258
  339    HA   ASN  49           HA       ASN  49  -7.807  -7.520  -1.059
  340   1HB   ASN  49           HB1      ASN  49  -9.689  -6.896   0.566
  341   2HB   ASN  49           HB2      ASN  49 -10.305  -8.523   0.290
  342   1HD2  ASN  49          HD22      ASN  49  -8.160  -9.123   3.148
  343   2HD2  ASN  49          HD21      ASN  49  -9.741  -8.649   2.752
  344    H    THR  50           HN       THR  50  -8.416  -8.690  -3.504
  345    HA   THR  50           HA       THR  50  -9.394 -11.406  -3.176
  346    HB   THR  50           HB       THR  50  -7.559 -10.775  -5.431
  347    HG1  THR  50           HG1      THR  50  -9.875  -9.319  -4.795
  348   1HG2  THR  50          HG23      THR  50  -9.147 -12.798  -5.081
  349   2HG2  THR  50          HG22      THR  50 -10.431 -11.674  -5.525
  350   3HG2  THR  50          HG21      THR  50  -9.131 -12.021  -6.665
  351    H    GLY  51           HN       GLY  51  -6.922 -12.373  -4.822
  352   1HA   GLY  51           HA1      GLY  51  -5.509 -13.611  -2.696
  353   2HA   GLY  51           HA2      GLY  51  -4.860 -13.393  -4.327
  354    H    THR  52           HN       THR  52  -5.483 -10.388  -3.838
  355    HA   THR  52           HA       THR  52  -2.860  -9.750  -2.625
  356    HB   THR  52           HB       THR  52  -4.887  -8.013  -4.074
  357    HG1  THR  52           HG1      THR  52  -3.869  -8.561  -5.844
  358   1HG2  THR  52          HG21      THR  52  -2.184  -7.530  -2.871
  359   2HG2  THR  52          HG23      THR  52  -2.621  -6.666  -4.344
  360   3HG2  THR  52          HG22      THR  52  -3.604  -6.484  -2.891
  361    H    GLU  53           HN       GLU  53  -2.843  -7.805  -1.111
  362    HA   GLU  53           HA       GLU  53  -5.333  -7.750   0.535
  363   1HB   GLU  53           HB1      GLU  53  -2.729  -7.144   1.839
  364   2HB   GLU  53           HB2      GLU  53  -4.135  -7.992   2.481
  365   1HG   GLU  53           HG1      GLU  53  -3.365  -9.736   0.544
  366   2HG   GLU  53           HG2      GLU  53  -1.801  -9.050   0.985
  367    H    ILE  54           HN       ILE  54  -6.226  -5.771  -0.046
  368    HA   ILE  54           HA       ILE  54  -4.380  -3.436  -0.117
  369    HB   ILE  54           HB       ILE  54  -6.185  -4.100  -1.992
  370   1HG1  ILE  54          HG11      ILE  54  -5.633  -1.261  -1.103
  371   2HG1  ILE  54          HG12      ILE  54  -4.527  -2.255  -2.049
  372   1HG2  ILE  54          HG21      ILE  54  -7.906  -3.452   0.073
  373   2HG2  ILE  54          HG22      ILE  54  -7.821  -1.959  -0.865
  374   3HG2  ILE  54          HG23      ILE  54  -8.314  -3.464  -1.639
  375   1HD1  ILE  54          HD11      ILE  54  -7.342  -1.909  -3.020
  376   2HD1  ILE  54          HD12      ILE  54  -6.195  -0.590  -3.256
  377   3HD1  ILE  54          HD13      ILE  54  -5.867  -2.179  -3.947
  378    H    LYS  55           HN       LYS  55  -5.170  -1.416   0.927
  379    HA   LYS  55           HA       LYS  55  -7.291  -1.641   2.913
  380   1HB   LYS  55           HB1      LYS  55  -4.404  -1.871   3.691
  381   2HB   LYS  55           HB2      LYS  55  -5.520  -1.034   4.769
  382   1HG   LYS  55           HG1      LYS  55  -6.979  -3.251   4.172
  383   2HG   LYS  55           HG2      LYS  55  -5.347  -3.912   4.079
  384   1HD   LYS  55           HD1      LYS  55  -4.997  -3.683   6.322
  385   2HD   LYS  55           HD2      LYS  55  -5.858  -2.146   6.398
  386   1HE   LYS  55           HE1      LYS  55  -7.977  -3.643   5.951
  387   2HE   LYS  55           HE2      LYS  55  -6.948  -4.943   6.553
  388   1HZ   LYS  55           HZ3      LYS  55  -6.476  -3.405   8.489
  389   2HZ   LYS  55           HZ1      LYS  55  -7.794  -2.481   7.954
  390   3HZ   LYS  55           HZ2      LYS  55  -8.027  -4.095   8.426
  391    H    CYS  56           HN       CYS  56  -6.692   0.432   4.565
  392    HA   CYS  56           HA       CYS  56  -6.505   2.711   2.650
  393   1HB   CYS  56           HB1      CYS  56  -7.361   3.331   5.394
  394   2HB   CYS  56           HB2      CYS  56  -8.124   3.747   3.863
  395    H    CYS  57           HN       CYS  57  -5.043   4.416   3.054
  396    HA   CYS  57           HA       CYS  57  -3.482   4.535   5.504
  397   1HB   CYS  57           HB1      CYS  57  -2.361   2.625   4.486
  398   2HB   CYS  57           HB2      CYS  57  -2.179   3.512   2.972
  399    H    SER  58           HN       SER  58  -2.562   6.551   5.693
  400    HA   SER  58           HA       SER  58  -2.245   8.145   3.219
  401   1HB   SER  58           HB1      SER  58  -4.469   8.615   4.427
  402   2HB   SER  58           HB2      SER  58  -3.483   9.352   5.686
  403    HG   SER  58           HG       SER  58  -4.012  10.225   3.123
  404    H    ALA  59           HN       ALA  59  -0.849   6.960   5.930
  405    HA   ALA  59           HA       ALA  59   1.427   8.756   5.661
  406   1HB   ALA  59           HB3      ALA  59  -0.336   8.922   8.114
  407   2HB   ALA  59           HB2      ALA  59   1.342   9.464   8.108
  408   3HB   ALA  59           HB1      ALA  59   0.162  10.238   7.051
  409    H    ASP  60           HN       ASP  60   1.219   7.705   8.851
  410    HA   ASP  60           HA       ASP  60   2.877   5.333   8.211
  411   1HB   ASP  60           HB1      ASP  60   3.734   7.027   9.869
  412   2HB   ASP  60           HB2      ASP  60   2.356   6.642  10.903
  413    H    LYS  61           HN       LYS  61   0.050   5.408   7.760
  414    HA   LYS  61           HA       LYS  61  -0.978   3.595   9.864
  415   1HB   LYS  61           HB1      LYS  61  -2.482   5.421   9.577
  416   2HB   LYS  61           HB2      LYS  61  -2.356   5.334   7.819
  417   1HG   LYS  61           HG1      LYS  61  -3.687   3.407   7.695
  418   2HG   LYS  61           HG2      LYS  61  -3.381   2.971   9.377
  419   1HD   LYS  61           HD1      LYS  61  -5.177   4.146  10.069
  420   2HD   LYS  61           HD2      LYS  61  -4.632   5.583   9.202
  421   1HE   LYS  61           HE1      LYS  61  -5.847   3.295   7.677
  422   2HE   LYS  61           HE2      LYS  61  -6.897   4.438   8.516
  423   1HZ   LYS  61           HZ1      LYS  61  -5.171   6.076   7.282
  424   2HZ   LYS  61           HZ2      LYS  61  -5.274   4.809   6.154
  425   3HZ   LYS  61           HZ3      LYS  61  -6.679   5.627   6.649
  426    H    CYS  62           HN       CYS  62   0.484   3.529   6.901
  427    HA   CYS  62           HA       CYS  62  -1.011   1.707   5.356
  428   1HB   CYS  62           HB1      CYS  62   1.954   2.177   5.655
  429   2HB   CYS  62           HB2      CYS  62   1.331   0.949   4.555
  430    H    ASN  63           HN       ASN  63   1.255   1.088   8.023
  431    HA   ASN  63           HA       ASN  63   0.540  -1.792   7.888
  432   1HB   ASN  63           HB1      ASN  63   2.456  -2.043   9.519
  433   2HB   ASN  63           HB2      ASN  63   2.926  -1.428   7.934
  434   1HD2  ASN  63          HD22      ASN  63   3.424   0.891  11.230
  435   2HD2  ASN  63          HD21      ASN  63   2.766  -0.671  11.341
  436    H    THR  64           HN       THR  64  -1.581  -1.453   8.851
  437    HA   THR  64           HA       THR  64  -1.485  -0.667  11.736
  438    HB   THR  64           HB       THR  64  -4.163  -0.887  10.762
  439    HG1  THR  64           HG1      THR  64  -4.068   0.601   9.105
  440   1HG2  THR  64          HG22      THR  64  -2.341   0.969  12.105
  441   2HG2  THR  64          HG21      THR  64  -3.563   1.781  11.128
  442   3HG2  THR  64          HG23      THR  64  -4.052   0.663  12.401
  443    H    TYR  65           HN       TYR  65  -1.671  -2.346  13.144
  444    HA   TYR  65           HA       TYR  65  -1.910  -4.998  12.492
  445   1HB   TYR  65           HB1      TYR  65  -1.392  -3.916  14.784
  446   2HB   TYR  65           HB2      TYR  65  -3.133  -3.991  15.044
  447    HD1  TYR  65           HD1      TYR  65  -0.096  -6.011  14.380
  448    HD2  TYR  65           HD2      TYR  65  -4.259  -6.072  15.445
  449    HE1  TYR  65           HE1      TYR  65   0.092  -8.412  14.976
  450    HE2  TYR  65           HE2      TYR  65  -4.071  -8.473  16.041
  451    HH   TYR  65           HH       TYR  65  -2.526 -10.418  15.369
  452    HA   PRO  66           HA       PRO  66  -6.651  -4.786  13.002
  453   1HB   PRO  66           HB1      PRO  66  -7.795  -2.286  13.123
  454   2HB   PRO  66           HB2      PRO  66  -7.288  -3.206  14.551
  455   1HG   PRO  66           HG1      PRO  66  -6.004  -0.836  13.263
  456   2HG   PRO  66           HG2      PRO  66  -5.916  -1.381  14.946
  457   1HD   PRO  66           HD1      PRO  66  -3.943  -1.751  12.929
  458   2HD   PRO  66           HD2      PRO  66  -3.967  -2.514  14.529
   
  No H/Q in entry =         458
  Start of MODEL   19
    1   1H    ARG   1           HT1      ARG   1   2.906  16.335  -0.539
    2   2H    ARG   1           HT2      ARG   1   3.049  16.486  -2.225
    3   3H    ARG   1           HT3      ARG   1   1.736  15.643  -1.553
    4    HA   ARG   1           HA       ARG   1   3.189  14.005  -2.329
    5   1HB   ARG   1           HB1      ARG   1   5.101  15.924  -2.129
    6   2HB   ARG   1           HB2      ARG   1   5.511  14.917  -0.738
    7   1HG   ARG   1           HG1      ARG   1   6.133  13.156  -2.044
    8   2HG   ARG   1           HG2      ARG   1   4.854  13.449  -3.223
    9   1HD   ARG   1           HD1      ARG   1   6.202  14.740  -4.525
   10   2HD   ARG   1           HD2      ARG   1   6.915  15.556  -3.134
   11    HE   ARG   1           HE       ARG   1   7.946  12.929  -3.143
   12   1HH1  ARG   1          HH11      ARG   1   9.551  15.512  -3.295
   13   2HH1  ARG   1          HH12      ARG   1  10.377  15.307  -4.804
   14   1HH2  ARG   1          HH21      ARG   1   8.306  12.747  -5.894
   15   2HH2  ARG   1          HH22      ARG   1   9.672  13.742  -6.275
   16    H    GLU   2           HN       GLU   2   2.555  12.289  -1.162
   17    HA   GLU   2           HA       GLU   2   3.305  12.094   1.698
   18   1HB   GLU   2           HB1      GLU   2   0.962  11.122   2.115
   19   2HB   GLU   2           HB2      GLU   2   1.056  12.872   1.920
   20   1HG   GLU   2           HG1      GLU   2   0.485  12.578  -0.500
   21   2HG   GLU   2           HG2      GLU   2   0.268  10.852  -0.203
   22    H    CYS   3           HN       CYS   3   3.295   9.782   2.400
   23    HA   CYS   3           HA       CYS   3   3.511   7.454   2.001
   24   1HB   CYS   3           HB1      CYS   3   2.728   7.922  -0.826
   25   2HB   CYS   3           HB2      CYS   3   2.443   6.488   0.156
   26    H    TYR   4           HN       TYR   4   5.816   8.116   2.068
   27    HA   TYR   4           HA       TYR   4   7.133   7.489  -0.497
   28   1HB   TYR   4           HB1      TYR   4   8.857   9.322   0.604
   29   2HB   TYR   4           HB2      TYR   4   7.703   9.644  -0.678
   30    HD1  TYR   4           HD1      TYR   4   7.301   9.138   3.025
   31    HD2  TYR   4           HD2      TYR   4   6.681  11.717  -0.354
   32    HE1  TYR   4           HE1      TYR   4   6.123  10.764   4.483
   33    HE2  TYR   4           HE2      TYR   4   5.506  13.340   1.101
   34    HH   TYR   4           HH       TYR   4   4.809  13.805   3.152
   35    H    LEU   5           HN       LEU   5   6.670   6.430   2.480
   36    HA   LEU   5           HA       LEU   5   9.375   5.410   2.700
   37   1HB   LEU   5           HB1      LEU   5   7.786   6.834   4.721
   38   2HB   LEU   5           HB2      LEU   5   8.933   5.618   5.219
   39    HG   LEU   5           HG       LEU   5   9.667   7.822   3.301
   40   1HD1  LEU   5          HD11      LEU   5   8.768   8.455   5.755
   41   2HD1  LEU   5          HD13      LEU   5  10.434   8.055   6.174
   42   3HD1  LEU   5          HD12      LEU   5  10.101   9.322   4.992
   43   1HD2  LEU   5          HD23      LEU   5  11.005   5.556   4.060
   44   2HD2  LEU   5          HD21      LEU   5  11.796   7.028   3.500
   45   3HD2  LEU   5          HD22      LEU   5  11.623   6.724   5.228
   46    H    ASN   6           HN       ASN   6   7.192   4.844   5.292
   47    HA   ASN   6           HA       ASN   6   6.326   2.847   6.121
   48   1HB   ASN   6           HB1      ASN   6   4.527   2.147   4.904
   49   2HB   ASN   6           HB2      ASN   6   4.919   3.542   3.907
   50   1HD2  ASN   6          HD22      ASN   6   5.362   1.506   1.085
   51   2HD2  ASN   6          HD21      ASN   6   4.849   2.985   1.738
   52    HA   PRO   7           HA       PRO   7   9.064  -0.508   5.413
   53   1HB   PRO   7           HB1      PRO   7   7.441  -2.697   5.791
   54   2HB   PRO   7           HB2      PRO   7   7.988  -1.642   7.105
   55   1HG   PRO   7           HG1      PRO   7   5.298  -1.838   5.818
   56   2HG   PRO   7           HG2      PRO   7   5.721  -1.296   7.450
   57   1HD   PRO   7           HD1      PRO   7   5.091   0.358   5.214
   58   2HD   PRO   7           HD2      PRO   7   5.756   0.897   6.771
   59    H    HIS   8           HN       HIS   8   8.188   0.464   2.891
   60    HA   HIS   8           HA       HIS   8   8.477  -1.942   1.250
   61   1HB   HIS   8           HB1      HIS   8   5.951  -0.274   1.125
   62   2HB   HIS   8           HB2      HIS   8   6.409  -1.492  -0.055
   63    HD1  HIS   8           HD1      HIS   8   6.383  -4.014   0.757
   64    HD2  HIS   8           HD2      HIS   8   4.931  -1.281   3.552
   65    HE1  HIS   8           HE1      HIS   8   5.152  -5.367   2.516
   66    H    ASP   9           HN       ASP   9   7.783  -0.933  -1.197
   67    HA   ASP   9           HA       ASP   9   9.908   0.946  -1.743
   68   1HB   ASP   9           HB1      ASP   9   9.234  -0.626  -3.469
   69   2HB   ASP   9           HB2      ASP   9   7.580  -0.012  -3.439
   70    H    THR  10           HN       THR  10   6.458   1.217  -1.144
   71    HA   THR  10           HA       THR  10   5.151   3.098  -0.674
   72    HB   THR  10           HB       THR  10   7.285   5.097  -0.801
   73    HG1  THR  10           HG1      THR  10   8.710   4.173   0.479
   74   1HG2  THR  10          HG21      THR  10   4.982   4.513   0.723
   75   2HG2  THR  10          HG23      THR  10   6.334   4.457   1.843
   76   3HG2  THR  10          HG22      THR  10   6.047   5.899   0.884
   77    H    GLN  11           HN       GLN  11   4.945   5.547  -1.597
   78    HA   GLN  11           HA       GLN  11   5.873   6.076  -4.232
   79   1HB   GLN  11           HB1      GLN  11   4.507   4.292  -5.036
   80   2HB   GLN  11           HB2      GLN  11   3.173   4.745  -3.976
   81   1HG   GLN  11           HG1      GLN  11   2.433   6.365  -5.398
   82   2HG   GLN  11           HG2      GLN  11   4.069   6.873  -5.821
   83   1HE2  GLN  11          HE22      GLN  11   2.365   3.769  -7.932
   84   2HE2  GLN  11          HE21      GLN  11   1.844   4.072  -6.344
   85    H    THR  12           HN       THR  12   6.020   8.233  -3.719
   86    HA   THR  12           HA       THR  12   4.299   9.681  -2.061
   87    HB   THR  12           HB       THR  12   5.457  11.596  -2.764
   88    HG1  THR  12           HG1      THR  12   6.147  10.247  -5.151
   89   1HG2  THR  12          HG22      THR  12   6.836   9.218  -2.283
   90   2HG2  THR  12          HG21      THR  12   7.652   9.925  -3.677
   91   3HG2  THR  12          HG23      THR  12   7.500  10.850  -2.183
   92    H    CYS  13           HN       CYS  13   2.610  11.112  -2.490
   93    HA   CYS  13           HA       CYS  13   1.378  10.975  -5.203
   94   1HB   CYS  13           HB1      CYS  13   0.041   9.521  -3.806
   95   2HB   CYS  13           HB2      CYS  13   0.014  10.710  -2.505
   96    HA   PRO  14           HA       PRO  14   1.946  15.315  -3.738
   97   1HB   PRO  14           HB1      PRO  14   3.113  16.175  -6.083
   98   2HB   PRO  14           HB2      PRO  14   4.021  15.520  -4.709
   99   1HG   PRO  14           HG1      PRO  14   3.336  14.235  -7.326
  100   2HG   PRO  14           HG2      PRO  14   4.725  13.945  -6.266
  101   1HD   PRO  14           HD1      PRO  14   2.419  12.316  -6.467
  102   2HD   PRO  14           HD2      PRO  14   3.626  12.248  -5.163
  103    H    SER  15           HN       SER  15   1.216  14.455  -7.151
  104    HA   SER  15           HA       SER  15  -1.106  16.334  -6.994
  105   1HB   SER  15           HB1      SER  15   0.656  16.904  -8.681
  106   2HB   SER  15           HB2      SER  15   0.347  15.360  -9.471
  107    HG   SER  15           HG       SER  15  -1.736  17.178  -8.947
  108    H    GLY  16           HN       GLY  16  -2.921  15.609  -8.578
  109   1HA   GLY  16           HA1      GLY  16  -4.144  13.779  -9.601
  110   2HA   GLY  16           HA2      GLY  16  -3.131  12.645  -8.708
  111    H    GLN  17           HN       GLN  17  -4.002  11.798  -6.874
  112    HA   GLN  17           HA       GLN  17  -6.540  12.989  -5.877
  113   1HB   GLN  17           HB1      GLN  17  -5.272  10.259  -5.630
  114   2HB   GLN  17           HB2      GLN  17  -6.621  10.744  -4.601
  115   1HG   GLN  17           HG1      GLN  17  -7.709   9.732  -6.418
  116   2HG   GLN  17           HG2      GLN  17  -7.754  11.441  -6.853
  117   1HE2  GLN  17          HE22      GLN  17  -6.472   9.667  -9.845
  118   2HE2  GLN  17          HE21      GLN  17  -7.938   9.753  -8.994
  119    H    GLU  18           HN       GLU  18  -6.533  12.019  -3.268
  120    HA   GLU  18           HA       GLU  18  -4.092  13.215  -2.039
  121   1HB   GLU  18           HB1      GLU  18  -5.622  14.309  -0.349
  122   2HB   GLU  18           HB2      GLU  18  -5.738  14.982  -1.976
  123   1HG   GLU  18           HG1      GLU  18  -7.826  14.032  -2.361
  124   2HG   GLU  18           HG2      GLU  18  -7.555  12.720  -1.215
  125    H    ILE  19           HN       ILE  19  -5.874  10.516  -2.339
  126    HA   ILE  19           HA       ILE  19  -5.736   9.751   0.538
  127    HB   ILE  19           HB       ILE  19  -6.859   8.089  -1.702
  128   1HG1  ILE  19          HG11      ILE  19  -7.767  10.665  -1.096
  129   2HG1  ILE  19          HG12      ILE  19  -8.674   9.424  -1.944
  130   1HG2  ILE  19          HG21      ILE  19  -7.258   8.228   1.293
  131   2HG2  ILE  19          HG22      ILE  19  -8.324   7.304   0.232
  132   3HG2  ILE  19          HG23      ILE  19  -6.612   6.888   0.346
  133   1HD1  ILE  19          HD12      ILE  19  -8.676   9.832   1.062
  134   2HD1  ILE  19          HD13      ILE  19  -9.950  10.365  -0.036
  135   3HD1  ILE  19          HD11      ILE  19  -9.632   8.643   0.178
  136    H    CYS  20           HN       CYS  20  -4.757   7.716   1.062
  137    HA   CYS  20           HA       CYS  20  -2.707   6.820  -0.924
  138   1HB   CYS  20           HB1      CYS  20  -1.962   8.216   1.201
  139   2HB   CYS  20           HB2      CYS  20  -2.166   6.670   2.024
  140    H    TYR  21           HN       TYR  21  -3.066   4.690  -1.435
  141    HA   TYR  21           HA       TYR  21  -4.521   3.070   0.606
  142   1HB   TYR  21           HB1      TYR  21  -5.382   1.721  -1.116
  143   2HB   TYR  21           HB2      TYR  21  -5.407   3.331  -1.827
  144    HD1  TYR  21           HD2      TYR  21  -3.220   0.289  -1.553
  145    HD2  TYR  21           HD1      TYR  21  -4.368   3.712  -3.873
  146    HE1  TYR  21           HE2      TYR  21  -1.783  -0.495  -3.417
  147    HE2  TYR  21           HE1      TYR  21  -2.931   2.934  -5.741
  148    HH   TYR  21           HH       TYR  21  -0.880   0.053  -5.396
  149    H    VAL  22           HN       VAL  22  -3.757   0.829   0.914
  150    HA   VAL  22           HA       VAL  22  -0.860   0.564   0.239
  151    HB   VAL  22           HB       VAL  22  -0.373  -0.216   2.455
  152   1HG1  VAL  22          HG13      VAL  22  -2.247   2.172   2.590
  153   2HG1  VAL  22          HG12      VAL  22  -1.086   1.728   3.839
  154   3HG1  VAL  22          HG11      VAL  22  -0.519   2.229   2.247
  155   1HG2  VAL  22          HG21      VAL  22  -3.334  -0.486   2.585
  156   2HG2  VAL  22          HG23      VAL  22  -2.079  -1.546   3.227
  157   3HG2  VAL  22          HG22      VAL  22  -2.501  -0.061   4.081
  158    H    LYS  23           HN       LYS  23  -0.837  -1.090  -1.205
  159    HA   LYS  23           HA       LYS  23  -2.650  -3.409  -0.718
  160   1HB   LYS  23           HB1      LYS  23  -2.650  -2.247  -2.975
  161   2HB   LYS  23           HB2      LYS  23  -0.999  -2.827  -3.191
  162   1HG   LYS  23           HG1      LYS  23  -1.680  -5.094  -3.202
  163   2HG   LYS  23           HG2      LYS  23  -3.245  -4.715  -2.480
  164   1HD   LYS  23           HD1      LYS  23  -3.982  -4.848  -4.637
  165   2HD   LYS  23           HD2      LYS  23  -3.353  -3.204  -4.747
  166   1HE   LYS  23           HE1      LYS  23  -1.080  -4.479  -5.270
  167   2HE   LYS  23           HE2      LYS  23  -2.181  -5.762  -5.772
  168   1HZ   LYS  23           HZ1      LYS  23  -2.929  -3.152  -6.722
  169   2HZ   LYS  23           HZ2      LYS  23  -1.421  -3.675  -7.306
  170   3HZ   LYS  23           HZ3      LYS  23  -2.810  -4.619  -7.564
  171    H    SER  24           HN       SER  24  -1.772  -5.376  -0.139
  172    HA   SER  24           HA       SER  24   1.189  -5.619  -0.367
  173   1HB   SER  24           HB1      SER  24  -0.508  -5.720   2.050
  174   2HB   SER  24           HB2      SER  24   0.681  -7.013   1.919
  175    HG   SER  24           HG       SER  24   2.117  -5.620   2.474
  176    H    TRP  25           HN       TRP  25   1.544  -7.304  -1.712
  177    HA   TRP  25           HA       TRP  25   0.116  -9.862  -1.163
  178   1HB   TRP  25           HB1      TRP  25  -0.396 -10.183  -3.524
  179   2HB   TRP  25           HB2      TRP  25  -1.090  -8.647  -2.994
  180    HD1  TRP  25           HD1      TRP  25   1.322 -10.079  -5.456
  181    HE1  TRP  25           HE1      TRP  25   2.441  -8.149  -6.766
  182    HE3  TRP  25           HE3      TRP  25  -0.157  -6.201  -2.588
  183    HZ2  TRP  25           HZ2      TRP  25   2.672  -5.273  -6.563
  184    HZ3  TRP  25           HZ3      TRP  25   0.509  -3.922  -3.101
  185    HH2  TRP  25           HH2      TRP  25   1.923  -3.408  -5.090
  186    H    CYS  26           HN       CYS  26   1.456 -11.637  -1.443
  187    HA   CYS  26           HA       CYS  26   4.006 -11.263  -2.925
  188   1HB   CYS  26           HB1      CYS  26   5.379 -11.942  -1.154
  189   2HB   CYS  26           HB2      CYS  26   4.209 -10.908  -0.343
  190    H    ASN  27           HN       ASN  27   5.060 -13.777  -2.214
  191    HA   ASN  27           HA       ASN  27   3.084 -15.568  -3.561
  192   1HB   ASN  27           HB1      ASN  27   5.245 -16.936  -4.022
  193   2HB   ASN  27           HB2      ASN  27   4.993 -15.454  -4.946
  194   1HD2  ASN  27          HD22      ASN  27   7.749 -13.767  -3.485
  195   2HD2  ASN  27          HD21      ASN  27   6.392 -13.638  -4.497
  196    H    ALA  28           HN       ALA  28   3.899 -18.035  -2.940
  197    HA   ALA  28           HA       ALA  28   3.296 -18.227  -0.101
  198   1HB   ALA  28           HB1      ALA  28   2.616 -19.840  -2.059
  199   2HB   ALA  28           HB3      ALA  28   4.189 -20.569  -1.740
  200   3HB   ALA  28           HB2      ALA  28   2.972 -20.508  -0.466
  201    H    TRP  29           HN       TRP  29   6.065 -17.489  -1.593
  202    HA   TRP  29           HA       TRP  29   7.706 -18.721   0.561
  203   1HB   TRP  29           HB1      TRP  29   8.511 -18.488  -2.329
  204   2HB   TRP  29           HB2      TRP  29   9.453 -19.181  -1.034
  205    HD1  TRP  29           HD1      TRP  29   5.831 -19.763  -2.370
  206    HE1  TRP  29           HE1      TRP  29   5.470 -22.324  -2.458
  207    HE3  TRP  29           HE3      TRP  29  10.317 -21.278  -0.640
  208    HZ2  TRP  29           HZ2      TRP  29   6.947 -24.726  -1.850
  209    HZ3  TRP  29           HZ3      TRP  29  10.865 -23.704  -0.384
  210    HH2  TRP  29           HH2      TRP  29   9.175 -25.424  -0.989
  211    H    CYS  30           HN       CYS  30   6.516 -15.951  -0.116
  212    HA   CYS  30           HA       CYS  30   8.725 -14.234  -0.794
  213   1HB   CYS  30           HB1      CYS  30   7.264 -12.417   0.132
  214   2HB   CYS  30           HB2      CYS  30   6.501 -13.407  -1.110
  215    H    SER  31           HN       SER  31   8.739 -16.125   1.824
  216    HA   SER  31           HA       SER  31   8.959 -14.685   4.155
  217   1HB   SER  31           HB1      SER  31   9.488 -17.048   4.140
  218   2HB   SER  31           HB2      SER  31  10.888 -16.775   3.107
  219    HG   SER  31           HG       SER  31  11.926 -16.588   4.909
  220    H    SER  32           HN       SER  32   9.556 -12.528   3.793
  221    HA   SER  32           HA       SER  32  10.958 -10.723   3.225
  222   1HB   SER  32           HB1      SER  32  13.239 -12.222   4.393
  223   2HB   SER  32           HB2      SER  32  12.697 -10.577   4.706
  224    HG   SER  32           HG       SER  32  11.589 -11.289   6.317
  225    H    ARG  33           HN       ARG  33  10.801 -11.410   0.975
  226    HA   ARG  33           HA       ARG  33  13.527 -11.935  -0.099
  227   1HB   ARG  33           HB1      ARG  33  12.273 -14.081  -0.127
  228   2HB   ARG  33           HB2      ARG  33  11.026 -13.320  -1.113
  229   1HG   ARG  33           HG1      ARG  33  12.371 -14.295  -2.753
  230   2HG   ARG  33           HG2      ARG  33  13.074 -12.679  -2.656
  231   1HD   ARG  33           HD1      ARG  33  14.823 -13.485  -1.166
  232   2HD   ARG  33           HD2      ARG  33  14.074 -15.081  -1.095
  233    HE   ARG  33           HE       ARG  33  14.576 -14.536  -3.820
  234   1HH1  ARG  33          HH21      ARG  33  17.057 -13.282  -2.694
  235   2HH1  ARG  33          HH22      ARG  33  18.145 -14.629  -2.629
  236   1HH2  ARG  33          HH11      ARG  33  15.641 -17.006  -2.945
  237   2HH2  ARG  33          HH12      ARG  33  17.343 -16.737  -2.771
  238    H    GLY  34           HN       GLY  34  11.059 -12.049  -2.463
  239   1HA   GLY  34           HA1      GLY  34  11.665  -9.218  -3.173
  240   2HA   GLY  34           HA2      GLY  34  11.173 -10.462  -4.324
  241    H    LYS  35           HN       LYS  35   9.754  -9.706  -1.155
  242    HA   LYS  35           HA       LYS  35   7.082  -9.991  -1.839
  243   1HB   LYS  35           HB1      LYS  35   8.451  -8.149   0.114
  244   2HB   LYS  35           HB2      LYS  35   6.696  -8.122  -0.067
  245   1HG   LYS  35           HG1      LYS  35   6.672 -10.592   0.358
  246   2HG   LYS  35           HG2      LYS  35   8.407 -10.518   0.672
  247   1HD   LYS  35           HD1      LYS  35   7.718  -8.616   2.364
  248   2HD   LYS  35           HD2      LYS  35   6.134  -9.389   2.282
  249   1HE   LYS  35           HE1      LYS  35   7.877 -11.532   2.560
  250   2HE   LYS  35           HE2      LYS  35   8.584 -10.298   3.603
  251   1HZ   LYS  35           HZ1      LYS  35   6.044 -10.035   4.259
  252   2HZ   LYS  35           HZ2      LYS  35   6.027 -11.678   3.822
  253   3HZ   LYS  35           HZ3      LYS  35   7.077 -11.131   5.041
  254    H    VAL  36           HN       VAL  36   5.619  -8.842  -3.041
  255    HA   VAL  36           HA       VAL  36   6.581  -6.300  -4.281
  256    HB   VAL  36           HB       VAL  36   4.058  -7.464  -5.275
  257   1HG1  VAL  36          HG11      VAL  36   6.671  -6.641  -6.575
  258   2HG1  VAL  36          HG13      VAL  36   5.191  -7.048  -7.443
  259   3HG1  VAL  36          HG12      VAL  36   5.238  -5.630  -6.396
  260   1HG2  VAL  36          HG22      VAL  36   6.660  -9.011  -5.432
  261   2HG2  VAL  36          HG21      VAL  36   5.101  -9.587  -4.842
  262   3HG2  VAL  36          HG23      VAL  36   5.327  -9.260  -6.560
  263    H    LEU  37           HN       LEU  37   5.928  -5.840  -1.779
  264    HA   LEU  37           HA       LEU  37   3.049  -5.120  -1.650
  265   1HB   LEU  37           HB1      LEU  37   5.242  -5.546   0.374
  266   2HB   LEU  37           HB2      LEU  37   3.741  -4.743   0.806
  267    HG   LEU  37           HG       LEU  37   2.455  -6.677   0.394
  268   1HD1  LEU  37          HD13      LEU  37   4.874  -7.770  -1.066
  269   2HD1  LEU  37          HD12      LEU  37   3.406  -8.693  -0.743
  270   3HD1  LEU  37          HD11      LEU  37   3.347  -7.280  -1.793
  271   1HD2  LEU  37          HD23      LEU  37   3.908  -6.832   2.403
  272   2HD2  LEU  37          HD22      LEU  37   3.495  -8.409   1.729
  273   3HD2  LEU  37          HD21      LEU  37   5.090  -7.715   1.436
  274    H    GLU  38           HN       GLU  38   2.752  -3.006  -2.393
  275    HA   GLU  38           HA       GLU  38   4.542  -0.938  -1.206
  276   1HB   GLU  38           HB1      GLU  38   4.160   0.230  -3.569
  277   2HB   GLU  38           HB2      GLU  38   5.501  -0.884  -3.302
  278   1HG   GLU  38           HG1      GLU  38   4.531  -2.558  -4.559
  279   2HG   GLU  38           HG2      GLU  38   2.891  -2.066  -4.137
  280    H    PHE  39           HN       PHE  39   3.565   1.273  -1.358
  281    HA   PHE  39           HA       PHE  39   0.597   1.142  -1.416
  282   1HB   PHE  39           HB1      PHE  39   2.158   3.001   0.375
  283   2HB   PHE  39           HB2      PHE  39   0.462   2.528   0.503
  284    HD1  PHE  39           HD2      PHE  39   0.706  -0.416   0.038
  285    HD2  PHE  39           HD1      PHE  39   3.072   2.248   2.441
  286    HE1  PHE  39           HE2      PHE  39   1.346  -2.310   1.504
  287    HE2  PHE  39           HE1      PHE  39   3.712   0.350   3.910
  288    HZ   PHE  39           HZ       PHE  39   2.848  -1.931   3.441
  289    H    GLY  40           HN       GLY  40  -0.440   3.016  -2.346
  290   1HA   GLY  40           HA1      GLY  40   1.409   5.067  -3.468
  291   2HA   GLY  40           HA2      GLY  40   0.323   4.212  -4.562
  292    H    CYS  41           HN       CYS  41  -0.839   6.117  -5.112
  293    HA   CYS  41           HA       CYS  41  -2.221   7.557  -2.926
  294   1HB   CYS  41           HB1      CYS  41  -1.004   8.624  -4.989
  295   2HB   CYS  41           HB2      CYS  41  -2.467   8.202  -5.849
  296    H    ALA  42           HN       ALA  42  -4.532   8.194  -3.748
  297    HA   ALA  42           HA       ALA  42  -6.038   6.435  -5.393
  298   1HB   ALA  42           HB3      ALA  42  -5.267   5.241  -2.957
  299   2HB   ALA  42           HB2      ALA  42  -6.971   5.658  -2.772
  300   3HB   ALA  42           HB1      ALA  42  -6.454   4.634  -4.112
  301    H    ALA  43           HN       ALA  43  -8.461   6.457  -4.512
  302    HA   ALA  43           HA       ALA  43  -9.025   9.276  -3.757
  303   1HB   ALA  43           HB3      ALA  43  -9.765   8.087  -6.042
  304   2HB   ALA  43           HB2      ALA  43 -11.113   7.576  -5.028
  305   3HB   ALA  43           HB1      ALA  43 -10.778   9.293  -5.247
  306    H    THR  44           HN       THR  44 -10.141   5.910  -3.297
  307    HA   THR  44           HA       THR  44 -11.071   6.694  -0.598
  308    HB   THR  44           HB       THR  44 -13.287   6.041  -0.884
  309    HG1  THR  44           HG1      THR  44 -12.418   4.632  -3.185
  310   1HG2  THR  44          HG22      THR  44 -12.712   8.030  -2.318
  311   2HG2  THR  44          HG21      THR  44 -12.584   6.931  -3.691
  312   3HG2  THR  44          HG23      THR  44 -14.129   7.134  -2.865
  313    H    CYS  45           HN       CYS  45 -10.090   5.265   0.714
  314    HA   CYS  45           HA       CYS  45  -8.617   3.103   0.317
  315   1HB   CYS  45           HB1      CYS  45  -9.090   3.929   2.542
  316   2HB   CYS  45           HB2      CYS  45 -10.751   3.354   2.435
  317    HA   PRO  46           HA       PRO  46 -11.561   0.352  -1.736
  318   1HB   PRO  46           HB1      PRO  46  -9.638  -1.267  -2.856
  319   2HB   PRO  46           HB2      PRO  46 -10.173   0.264  -3.566
  320   1HG   PRO  46           HG1      PRO  46  -7.623  -0.385  -2.176
  321   2HG   PRO  46           HG2      PRO  46  -7.971   0.912  -3.327
  322   1HD   PRO  46           HD1      PRO  46  -7.787   1.118  -0.476
  323   2HD   PRO  46           HD2      PRO  46  -8.274   2.391  -1.615
  324    H    SER  47           HN       SER  47 -11.391  -2.290  -1.881
  325    HA   SER  47           HA       SER  47 -10.798  -3.176   0.913
  326   1HB   SER  47           HB1      SER  47 -12.690  -4.521  -1.026
  327   2HB   SER  47           HB2      SER  47 -12.593  -4.739   0.719
  328    HG   SER  47           HG       SER  47 -13.721  -3.000   1.029
  329    H    VAL  48           HN       VAL  48 -11.274  -6.000  -0.061
  330    HA   VAL  48           HA       VAL  48  -8.547  -6.412  -1.170
  331    HB   VAL  48           HB       VAL  48 -10.380  -8.267   0.299
  332   1HG1  VAL  48          HG12      VAL  48  -8.215  -8.830  -1.475
  333   2HG1  VAL  48          HG11      VAL  48  -7.704  -9.225   0.166
  334   3HG1  VAL  48          HG13      VAL  48  -9.154  -9.969  -0.509
  335   1HG2  VAL  48          HG23      VAL  48  -8.793  -6.264   1.297
  336   2HG2  VAL  48          HG22      VAL  48  -9.260  -7.708   2.196
  337   3HG2  VAL  48          HG21      VAL  48  -7.708  -7.653   1.358
  338    H    ASN  49           HN       ASN  49  -8.298  -7.383  -3.166
  339    HA   ASN  49           HA       ASN  49 -10.776  -8.093  -4.586
  340   1HB   ASN  49           HB1      ASN  49  -9.386  -6.388  -5.669
  341   2HB   ASN  49           HB2      ASN  49  -8.011  -7.492  -5.660
  342   1HD2  ASN  49          HD22      ASN  49  -9.104  -8.360  -8.938
  343   2HD2  ASN  49          HD21      ASN  49  -7.922  -7.545  -8.032
  344    H    THR  50           HN       THR  50  -7.854  -9.339  -5.921
  345    HA   THR  50           HA       THR  50  -8.815 -12.058  -5.672
  346    HB   THR  50           HB       THR  50  -7.472 -11.257  -7.601
  347    HG1  THR  50           HG1      THR  50  -5.974 -13.048  -7.548
  348   1HG2  THR  50          HG22      THR  50  -5.722 -10.396  -5.468
  349   2HG2  THR  50          HG21      THR  50  -4.848 -11.425  -6.604
  350   3HG2  THR  50          HG23      THR  50  -5.677  -9.978  -7.180
  351    H    GLY  51           HN       GLY  51  -5.665 -12.647  -5.115
  352   1HA   GLY  51           HA1      GLY  51  -6.144 -13.112  -2.244
  353   2HA   GLY  51           HA2      GLY  51  -4.786 -13.737  -3.183
  354    H    THR  52           HN       THR  52  -5.782 -10.376  -3.289
  355    HA   THR  52           HA       THR  52  -3.185  -9.615  -2.042
  356    HB   THR  52           HB       THR  52  -5.040  -8.240  -4.003
  357    HG1  THR  52           HG1      THR  52  -3.291  -9.768  -4.583
  358   1HG2  THR  52          HG21      THR  52  -3.446  -6.999  -1.965
  359   2HG2  THR  52          HG23      THR  52  -2.705  -6.679  -3.531
  360   3HG2  THR  52          HG22      THR  52  -4.385  -6.229  -3.242
  361    H    GLU  53           HN       GLU  53  -3.201  -8.154  -0.275
  362    HA   GLU  53           HA       GLU  53  -5.905  -7.681   0.883
  363   1HB   GLU  53           HB1      GLU  53  -4.631  -7.409   3.060
  364   2HB   GLU  53           HB2      GLU  53  -4.592  -9.031   2.372
  365   1HG   GLU  53           HG1      GLU  53  -2.385  -8.571   1.390
  366   2HG   GLU  53           HG2      GLU  53  -2.429  -6.929   2.031
  367    H    ILE  54           HN       ILE  54  -6.574  -5.619   0.526
  368    HA   ILE  54           HA       ILE  54  -4.515  -3.481   0.397
  369    HB   ILE  54           HB       ILE  54  -6.898  -4.021  -1.093
  370   1HG1  ILE  54          HG11      ILE  54  -5.273  -1.493  -1.266
  371   2HG1  ILE  54          HG12      ILE  54  -4.567  -3.048  -1.707
  372   1HG2  ILE  54          HG23      ILE  54  -6.991  -1.442   0.496
  373   2HG2  ILE  54          HG22      ILE  54  -7.941  -1.722  -0.963
  374   3HG2  ILE  54          HG21      ILE  54  -8.205  -2.718   0.470
  375   1HD1  ILE  54          HD11      ILE  54  -7.165  -2.872  -2.899
  376   2HD1  ILE  54          HD12      ILE  54  -6.286  -1.389  -3.272
  377   3HD1  ILE  54          HD13      ILE  54  -5.599  -2.955  -3.706
  378    H    LYS  55           HN       LYS  55  -5.088  -1.416   1.502
  379    HA   LYS  55           HA       LYS  55  -7.023  -1.586   3.700
  380   1HB   LYS  55           HB1      LYS  55  -4.071  -1.780   4.095
  381   2HB   LYS  55           HB2      LYS  55  -4.984  -0.789   5.235
  382   1HG   LYS  55           HG1      LYS  55  -6.358  -3.287   4.705
  383   2HG   LYS  55           HG2      LYS  55  -4.713  -3.590   5.264
  384   1HD   LYS  55           HD1      LYS  55  -5.911  -3.414   7.278
  385   2HD   LYS  55           HD2      LYS  55  -5.272  -1.783   7.073
  386   1HE   LYS  55           HE1      LYS  55  -7.424  -1.129   5.980
  387   2HE   LYS  55           HE2      LYS  55  -8.053  -2.741   6.324
  388   1HZ   LYS  55           HZ3      LYS  55  -6.988  -0.941   8.423
  389   2HZ   LYS  55           HZ1      LYS  55  -8.626  -0.979   7.988
  390   3HZ   LYS  55           HZ2      LYS  55  -7.887  -2.367   8.632
  391    H    CYS  56           HN       CYS  56  -6.593   0.585   5.097
  392    HA   CYS  56           HA       CYS  56  -6.538   2.747   3.056
  393   1HB   CYS  56           HB1      CYS  56  -7.372   3.147   5.916
  394   2HB   CYS  56           HB2      CYS  56  -7.940   3.976   4.467
  395    H    CYS  57           HN       CYS  57  -5.237   4.602   3.364
  396    HA   CYS  57           HA       CYS  57  -3.461   4.838   5.667
  397   1HB   CYS  57           HB1      CYS  57  -2.330   3.048   4.384
  398   2HB   CYS  57           HB2      CYS  57  -2.296   4.093   2.965
  399    H    SER  58           HN       SER  58  -2.348   6.845   5.650
  400    HA   SER  58           HA       SER  58  -2.886   8.595   3.330
  401   1HB   SER  58           HB1      SER  58  -3.170   9.946   5.928
  402   2HB   SER  58           HB2      SER  58  -4.145  10.110   4.470
  403    HG   SER  58           HG       SER  58  -5.363   9.128   6.083
  404    H    ALA  59           HN       ALA  59  -0.776   7.494   5.695
  405    HA   ALA  59           HA       ALA  59   1.347   9.211   4.673
  406   1HB   ALA  59           HB1      ALA  59   0.298   9.598   7.485
  407   2HB   ALA  59           HB3      ALA  59   1.902  10.128   6.978
  408   3HB   ALA  59           HB2      ALA  59   0.465  10.817   6.222
  409    H    ASP  60           HN       ASP  60   2.019   8.443   7.871
  410    HA   ASP  60           HA       ASP  60   3.440   5.985   7.023
  411   1HB   ASP  60           HB1      ASP  60   4.798   7.691   8.186
  412   2HB   ASP  60           HB2      ASP  60   3.682   7.655   9.551
  413    H    LYS  61           HN       LYS  61   0.592   6.120   7.377
  414    HA   LYS  61           HA       LYS  61   0.196   4.474   9.807
  415   1HB   LYS  61           HB1      LYS  61  -1.289   6.332   9.872
  416   2HB   LYS  61           HB2      LYS  61  -1.686   6.161   8.162
  417   1HG   LYS  61           HG1      LYS  61  -3.024   4.264   8.539
  418   2HG   LYS  61           HG2      LYS  61  -2.272   3.929  10.099
  419   1HD   LYS  61           HD1      LYS  61  -3.480   5.611  11.184
  420   2HD   LYS  61           HD2      LYS  61  -3.767   6.505   9.691
  421   1HE   LYS  61           HE1      LYS  61  -5.420   4.949   8.964
  422   2HE   LYS  61           HE2      LYS  61  -4.939   3.758  10.173
  423   1HZ   LYS  61           HZ3      LYS  61  -5.551   5.673  11.805
  424   2HZ   LYS  61           HZ1      LYS  61  -6.495   6.224  10.509
  425   3HZ   LYS  61           HZ2      LYS  61  -6.767   4.678  11.158
  426    H    CYS  62           HN       CYS  62   0.844   4.104   6.639
  427    HA   CYS  62           HA       CYS  62  -1.087   2.366   5.577
  428   1HB   CYS  62           HB1      CYS  62   1.929   2.269   5.275
  429   2HB   CYS  62           HB2      CYS  62   0.798   1.379   4.259
  430    H    ASN  63           HN       ASN  63   1.363   1.746   8.022
  431    HA   ASN  63           HA       ASN  63   0.658  -1.133   8.023
  432   1HB   ASN  63           HB1      ASN  63   2.565  -1.379   9.572
  433   2HB   ASN  63           HB2      ASN  63   3.055  -0.557   8.090
  434   1HD2  ASN  63          HD22      ASN  63   4.012   2.384   9.776
  435   2HD2  ASN  63          HD21      ASN  63   3.978   1.511   8.321
  436    H    THR  64           HN       THR  64   0.070   1.799   9.764
  437    HA   THR  64           HA       THR  64  -1.161   2.225  11.715
  438    HB   THR  64           HB       THR  64  -2.630  -0.139  12.078
  439    HG1  THR  64           HG1      THR  64  -3.317  -0.463   9.890
  440   1HG2  THR  64          HG21      THR  64  -3.232   2.355  12.081
  441   2HG2  THR  64          HG23      THR  64  -3.394   2.196  10.332
  442   3HG2  THR  64          HG22      THR  64  -4.427   1.249  11.404
  443    H    TYR  65           HN       TYR  65   0.761   2.093  13.045
  444    HA   TYR  65           HA       TYR  65   2.202   0.152  14.141
  445   1HB   TYR  65           HB1      TYR  65   1.994   2.600  14.899
  446   2HB   TYR  65           HB2      TYR  65   0.793   2.006  16.045
  447    HD1  TYR  65           HD1      TYR  65   1.447   0.208  17.700
  448    HD2  TYR  65           HD2      TYR  65   4.326   2.258  15.254
  449    HE1  TYR  65           HE1      TYR  65   3.266  -0.545  19.210
  450    HE2  TYR  65           HE2      TYR  65   6.145   1.504  16.763
  451    HH   TYR  65           HH       TYR  65   6.167  -0.827  18.594
  452    HA   PRO  66           HA       PRO  66  -1.232  -2.491  15.590
  453   1HB   PRO  66           HB1      PRO  66   0.041  -4.849  14.961
  454   2HB   PRO  66           HB2      PRO  66  -0.957  -3.934  13.818
  455   1HG   PRO  66           HG1      PRO  66   2.021  -4.175  13.977
  456   2HG   PRO  66           HG2      PRO  66   0.998  -3.853  12.568
  457   1HD   PRO  66           HD1      PRO  66   2.495  -1.940  14.033
  458   2HD   PRO  66           HD2      PRO  66   1.235  -1.587  12.832
   
  No H/Q in entry =         458
  Start of MODEL   20
    1   1H    ARG   1           HT1      ARG   1   1.606  14.946  -0.601
    2   2H    ARG   1           HT2      ARG   1   2.887  15.293  -1.662
    3   3H    ARG   1           HT3      ARG   1   1.419  14.689  -2.267
    4    HA   ARG   1           HA       ARG   1   2.281  12.671  -2.160
    5   1HB   ARG   1           HB1      ARG   1   4.477  14.289  -1.431
    6   2HB   ARG   1           HB2      ARG   1   4.449  12.957  -0.275
    7   1HG   ARG   1           HG1      ARG   1   4.864  11.376  -1.887
    8   2HG   ARG   1           HG2      ARG   1   3.984  12.263  -3.131
    9   1HD   ARG   1           HD1      ARG   1   6.041  12.817  -3.920
   10   2HD   ARG   1           HD2      ARG   1   6.090  13.957  -2.577
   11    HE   ARG   1           HE       ARG   1   7.001  11.593  -1.463
   12   1HH1  ARG   1          HH21      ARG   1   7.899  13.877  -3.861
   13   2HH1  ARG   1          HH22      ARG   1   9.522  13.288  -4.015
   14   1HH2  ARG   1          HH11      ARG   1   9.060  10.658  -1.802
   15   2HH2  ARG   1          HH12      ARG   1  10.178  11.467  -2.849
   16    H    GLU   2           HN       GLU   2   1.729  10.879  -0.884
   17    HA   GLU   2           HA       GLU   2   1.495  11.308   2.039
   18   1HB   GLU   2           HB1      GLU   2  -0.826  10.072   1.796
   19   2HB   GLU   2           HB2      GLU   2  -0.732  11.819   1.571
   20   1HG   GLU   2           HG1      GLU   2  -0.158  10.278  -0.869
   21   2HG   GLU   2           HG2      GLU   2  -1.795  10.045  -0.254
   22    H    CYS   3           HN       CYS   3   3.302   9.777   0.517
   23    HA   CYS   3           HA       CYS   3   2.943   7.179   1.821
   24   1HB   CYS   3           HB1      CYS   3   3.433   7.082  -1.150
   25   2HB   CYS   3           HB2      CYS   3   2.881   5.793  -0.086
   26    H    TYR   4           HN       TYR   4   4.738   8.946  -0.635
   27    HA   TYR   4           HA       TYR   4   7.029   9.024  -1.120
   28   1HB   TYR   4           HB1      TYR   4   8.256   9.308   1.315
   29   2HB   TYR   4           HB2      TYR   4   7.480  10.617   0.424
   30    HD1  TYR   4           HD1      TYR   4   4.957  11.029   0.856
   31    HD2  TYR   4           HD2      TYR   4   7.426   8.639   3.436
   32    HE1  TYR   4           HE1      TYR   4   3.298  11.289   2.682
   33    HE2  TYR   4           HE2      TYR   4   5.766   8.897   5.262
   34    HH   TYR   4           HH       TYR   4   3.296  11.188   5.190
   35    H    LEU   5           HN       LEU   5   7.585   7.419   2.014
   36    HA   LEU   5           HA       LEU   5   8.549   5.175   0.440
   37   1HB   LEU   5           HB1      LEU   5  10.095   6.107   2.769
   38   2HB   LEU   5           HB2      LEU   5  10.588   5.067   1.447
   39    HG   LEU   5           HG       LEU   5   9.883   7.313   0.081
   40   1HD1  LEU   5          HD13      LEU   5   9.806   8.201   2.673
   41   2HD1  LEU   5          HD12      LEU   5  11.468   8.582   2.224
   42   3HD1  LEU   5          HD11      LEU   5  10.129   9.233   1.280
   43   1HD2  LEU   5          HD21      LEU   5  12.312   5.974   0.906
   44   2HD2  LEU   5          HD22      LEU   5  11.980   6.837  -0.596
   45   3HD2  LEU   5          HD23      LEU   5  12.582   7.714   0.811
   46    H    ASN   6           HN       ASN   6   7.813   6.158   3.796
   47    HA   ASN   6           HA       ASN   6   7.076   4.791   5.577
   48   1HB   ASN   6           HB1      ASN   6   5.075   3.701   5.088
   49   2HB   ASN   6           HB2      ASN   6   5.209   4.741   3.678
   50   1HD2  ASN   6          HD22      ASN   6   5.208   2.004   1.473
   51   2HD2  ASN   6          HD21      ASN   6   4.873   3.646   1.742
   52    HA   PRO   7           HA       PRO   7   9.446   1.078   5.723
   53   1HB   PRO   7           HB1      PRO   7   7.807  -0.804   6.881
   54   2HB   PRO   7           HB2      PRO   7   8.534   0.550   7.764
   55   1HG   PRO   7           HG1      PRO   7   5.710   0.159   6.884
   56   2HG   PRO   7           HG2      PRO   7   6.342   1.147   8.211
   57   1HD   PRO   7           HD1      PRO   7   5.509   2.054   5.634
   58   2HD   PRO   7           HD2      PRO   7   6.329   3.019   6.880
   59    H    HIS   8           HN       HIS   8   8.243   1.325   3.097
   60    HA   HIS   8           HA       HIS   8   8.473  -1.440   2.217
   61   1HB   HIS   8           HB1      HIS   8   5.811  -0.250   2.627
   62   2HB   HIS   8           HB2      HIS   8   6.048  -0.966   1.033
   63    HD1  HIS   8           HD1      HIS   8   4.152  -2.612   2.422
   64    HD2  HIS   8           HD2      HIS   8   8.208  -3.020   3.288
   65    HE1  HIS   8           HE1      HIS   8   4.425  -4.877   3.525
   66    H    ASP   9           HN       ASP   9   7.371  -1.307  -0.280
   67    HA   ASP   9           HA       ASP   9   9.284   0.118  -1.794
   68   1HB   ASP   9           HB1      ASP   9   7.100  -1.612  -2.318
   69   2HB   ASP   9           HB2      ASP   9   6.870  -0.181  -3.325
   70    H    THR  10           HN       THR  10   5.858   1.008  -1.218
   71    HA   THR  10           HA       THR  10   4.879   3.135  -1.130
   72    HB   THR  10           HB       THR  10   7.280   4.739  -1.646
   73    HG1  THR  10           HG1      THR  10   8.572   3.591  -0.463
   74   1HG2  THR  10          HG23      THR  10   4.954   4.584   0.143
   75   2HG2  THR  10          HG22      THR  10   6.402   5.216   0.900
   76   3HG2  THR  10          HG21      THR  10   5.765   5.991  -0.539
   77    H    GLN  11           HN       GLN  11   5.184   5.362  -2.531
   78    HA   GLN  11           HA       GLN  11   5.954   5.006  -5.269
   79   1HB   GLN  11           HB1      GLN  11   4.013   3.651  -5.532
   80   2HB   GLN  11           HB2      GLN  11   3.045   4.715  -4.517
   81   1HG   GLN  11           HG1      GLN  11   2.425   5.898  -6.329
   82   2HG   GLN  11           HG2      GLN  11   4.114   6.256  -6.687
   83   1HE2  GLN  11          HE22      GLN  11   2.641   4.309  -9.548
   84   2HE2  GLN  11          HE21      GLN  11   2.239   5.773  -8.790
   85    H    THR  12           HN       THR  12   4.075   6.744  -2.854
   86    HA   THR  12           HA       THR  12   4.073   9.043  -2.371
   87    HB   THR  12           HB       THR  12   5.633  10.463  -3.315
   88    HG1  THR  12           HG1      THR  12   5.716  10.695  -5.380
   89   1HG2  THR  12          HG22      THR  12   6.445   7.881  -2.788
   90   2HG2  THR  12          HG21      THR  12   7.156   8.201  -4.369
   91   3HG2  THR  12          HG23      THR  12   7.516   9.264  -3.008
   92    H    CYS  13           HN       CYS  13   2.746  10.755  -2.940
   93    HA   CYS  13           HA       CYS  13   1.367  10.657  -5.566
   94   1HB   CYS  13           HB1      CYS  13  -0.032   9.302  -4.109
   95   2HB   CYS  13           HB2      CYS  13   0.017  10.539  -2.856
   96    HA   PRO  14           HA       PRO  14   2.305  14.917  -4.008
   97   1HB   PRO  14           HB1      PRO  14   3.757  15.668  -6.225
   98   2HB   PRO  14           HB2      PRO  14   4.471  14.919  -4.786
   99   1HG   PRO  14           HG1      PRO  14   3.915  13.728  -7.475
  100   2HG   PRO  14           HG2      PRO  14   5.153  13.284  -6.287
  101   1HD   PRO  14           HD1      PRO  14   2.703  11.925  -6.750
  102   2HD   PRO  14           HD2      PRO  14   3.783  11.685  -5.359
  103    H    SER  15           HN       SER  15   1.021  13.543  -6.946
  104    HA   SER  15           HA       SER  15  -0.706  15.952  -7.258
  105   1HB   SER  15           HB1      SER  15  -0.161  16.300  -9.455
  106   2HB   SER  15           HB2      SER  15   1.361  15.562  -8.962
  107    HG   SER  15           HG       SER  15  -0.700  14.518 -10.489
  108    H    GLY  16           HN       GLY  16  -2.744  15.455  -8.368
  109   1HA   GLY  16           HA1      GLY  16  -4.328  13.861  -9.294
  110   2HA   GLY  16           HA2      GLY  16  -3.361  12.553  -8.612
  111    H    GLN  17           HN       GLN  17  -4.536  11.571  -7.034
  112    HA   GLN  17           HA       GLN  17  -6.610  12.984  -5.556
  113   1HB   GLN  17           HB1      GLN  17  -5.408  10.246  -5.041
  114   2HB   GLN  17           HB2      GLN  17  -6.931  10.857  -4.392
  115   1HG   GLN  17           HG1      GLN  17  -6.309  10.487  -7.340
  116   2HG   GLN  17           HG2      GLN  17  -7.290   9.393  -6.366
  117   1HE2  GLN  17          HE22      GLN  17  -9.348  12.127  -8.135
  118   2HE2  GLN  17          HE21      GLN  17  -8.054  11.197  -8.719
  119    H    GLU  18           HN       GLU  18  -6.245  11.919  -2.960
  120    HA   GLU  18           HA       GLU  18  -3.650  13.071  -2.064
  121   1HB   GLU  18           HB1      GLU  18  -6.360  13.803  -0.912
  122   2HB   GLU  18           HB2      GLU  18  -4.799  14.338  -0.286
  123   1HG   GLU  18           HG1      GLU  18  -5.716  14.862  -3.125
  124   2HG   GLU  18           HG2      GLU  18  -5.969  16.002  -1.803
  125    H    ILE  19           HN       ILE  19  -5.529  10.433  -2.105
  126    HA   ILE  19           HA       ILE  19  -5.058   9.701   0.748
  127    HB   ILE  19           HB       ILE  19  -6.561   8.092  -1.305
  128   1HG1  ILE  19          HG11      ILE  19  -7.239  10.695  -0.505
  129   2HG1  ILE  19          HG12      ILE  19  -8.308   9.527  -1.267
  130   1HG2  ILE  19          HG21      ILE  19  -6.479   8.199   1.717
  131   2HG2  ILE  19          HG22      ILE  19  -7.737   7.336   0.830
  132   3HG2  ILE  19          HG23      ILE  19  -6.049   6.848   0.668
  133   1HD1  ILE  19          HD12      ILE  19  -7.885   9.725   1.728
  134   2HD1  ILE  19          HD13      ILE  19  -9.220  10.491   0.868
  135   3HD1  ILE  19          HD11      ILE  19  -9.080   8.734   0.893
  136    H    CYS  20           HN       CYS  20  -4.185   7.572   1.152
  137    HA   CYS  20           HA       CYS  20  -2.374   6.620  -1.031
  138   1HB   CYS  20           HB1      CYS  20  -1.227   7.904   0.863
  139   2HB   CYS  20           HB2      CYS  20  -1.685   6.568   1.918
  140    H    TYR  21           HN       TYR  21  -2.712   4.477  -1.496
  141    HA   TYR  21           HA       TYR  21  -4.286   2.914   0.498
  142   1HB   TYR  21           HB1      TYR  21  -5.049   1.555  -1.264
  143   2HB   TYR  21           HB2      TYR  21  -4.960   3.143  -2.024
  144    HD1  TYR  21           HD2      TYR  21  -3.091  -0.048  -1.538
  145    HD2  TYR  21           HD1      TYR  21  -3.510   3.534  -3.862
  146    HE1  TYR  21           HE2      TYR  21  -1.473  -0.933  -3.197
  147    HE2  TYR  21           HE1      TYR  21  -1.893   2.653  -5.522
  148    HH   TYR  21           HH       TYR  21  -1.096  -0.429  -5.842
  149    H    VAL  22           HN       VAL  22  -3.531   0.776   1.077
  150    HA   VAL  22           HA       VAL  22  -0.626   0.398   0.495
  151    HB   VAL  22           HB       VAL  22  -0.231  -0.323   2.726
  152   1HG1  VAL  22          HG13      VAL  22  -0.739   2.191   2.333
  153   2HG1  VAL  22          HG12      VAL  22  -2.265   1.868   3.158
  154   3HG1  VAL  22          HG11      VAL  22  -0.738   1.612   3.998
  155   1HG2  VAL  22          HG22      VAL  22  -3.237  -0.486   2.897
  156   2HG2  VAL  22          HG21      VAL  22  -2.057  -1.770   3.154
  157   3HG2  VAL  22          HG23      VAL  22  -2.222  -0.474   4.339
  158    H    LYS  23           HN       LYS  23  -0.510  -1.298  -0.890
  159    HA   LYS  23           HA       LYS  23  -2.476  -3.515  -0.617
  160   1HB   LYS  23           HB1      LYS  23  -0.655  -2.551  -2.799
  161   2HB   LYS  23           HB2      LYS  23  -1.138  -4.246  -2.787
  162   1HG   LYS  23           HG1      LYS  23  -3.480  -3.644  -2.857
  163   2HG   LYS  23           HG2      LYS  23  -3.094  -1.934  -2.650
  164   1HD   LYS  23           HD1      LYS  23  -1.614  -2.365  -4.817
  165   2HD   LYS  23           HD2      LYS  23  -2.758  -3.686  -5.058
  166   1HE   LYS  23           HE1      LYS  23  -4.575  -2.241  -5.291
  167   2HE   LYS  23           HE2      LYS  23  -3.789  -0.945  -4.389
  168   1HZ   LYS  23           HZ3      LYS  23  -2.312  -1.657  -6.720
  169   2HZ   LYS  23           HZ1      LYS  23  -3.898  -1.204  -7.116
  170   3HZ   LYS  23           HZ2      LYS  23  -2.905  -0.138  -6.241
  171    H    SER  24           HN       SER  24  -1.831  -5.539   0.062
  172    HA   SER  24           HA       SER  24   1.093  -5.977   0.415
  173   1HB   SER  24           HB1      SER  24  -1.063  -6.003   2.442
  174   2HB   SER  24           HB2      SER  24   0.046  -7.369   2.515
  175    HG   SER  24           HG       SER  24   0.517  -4.678   2.969
  176    H    TRP  25           HN       TRP  25   1.038  -7.303  -1.492
  177    HA   TRP  25           HA       TRP  25  -0.501  -9.855  -1.110
  178   1HB   TRP  25           HB1      TRP  25  -0.619 -10.033  -3.520
  179   2HB   TRP  25           HB2      TRP  25  -1.176  -8.423  -3.056
  180    HD1  TRP  25           HD1      TRP  25   1.580 -10.191  -4.931
  181    HE1  TRP  25           HE1      TRP  25   3.088  -8.416  -6.046
  182    HE3  TRP  25           HE3      TRP  25  -0.208  -6.060  -2.635
  183    HZ2  TRP  25           HZ2      TRP  25   3.479  -5.558  -5.929
  184    HZ3  TRP  25           HZ3      TRP  25   0.729  -3.862  -3.097
  185    HH2  TRP  25           HH2      TRP  25   2.571  -3.566  -4.745
  186    H    CYS  26           HN       CYS  26   0.547 -11.811  -1.806
  187    HA   CYS  26           HA       CYS  26   3.431 -11.673  -2.437
  188   1HB   CYS  26           HB1      CYS  26   2.902 -11.858   0.163
  189   2HB   CYS  26           HB2      CYS  26   2.629 -13.553  -0.245
  190    H    ASN  27           HN       ASN  27   4.184 -14.152  -2.636
  191    HA   ASN  27           HA       ASN  27   2.018 -15.540  -4.162
  192   1HB   ASN  27           HB1      ASN  27   4.990 -15.962  -4.525
  193   2HB   ASN  27           HB2      ASN  27   3.685 -16.410  -5.625
  194   1HD2  ASN  27          HD22      ASN  27   3.142 -12.848  -6.491
  195   2HD2  ASN  27          HD21      ASN  27   2.197 -14.141  -5.929
  196    H    ALA  28           HN       ALA  28   3.022 -18.062  -4.356
  197    HA   ALA  28           HA       ALA  28   2.859 -18.982  -1.561
  198   1HB   ALA  28           HB2      ALA  28   2.943 -20.529  -4.165
  199   2HB   ALA  28           HB1      ALA  28   2.678 -21.240  -2.573
  200   3HB   ALA  28           HB3      ALA  28   1.492 -20.124  -3.249
  201    H    TRP  29           HN       TRP  29   5.322 -17.681  -2.825
  202    HA   TRP  29           HA       TRP  29   7.241 -19.815  -2.024
  203   1HB   TRP  29           HB1      TRP  29   7.655 -17.850  -4.259
  204   2HB   TRP  29           HB2      TRP  29   8.694 -19.181  -3.807
  205    HD1  TRP  29           HD1      TRP  29   4.898 -18.895  -4.652
  206    HE1  TRP  29           HE1      TRP  29   4.338 -20.854  -6.247
  207    HE3  TRP  29           HE3      TRP  29   9.453 -21.030  -4.948
  208    HZ2  TRP  29           HZ2      TRP  29   5.702 -23.072  -7.492
  209    HZ3  TRP  29           HZ3      TRP  29   9.850 -23.072  -6.333
  210    HH2  TRP  29           HH2      TRP  29   7.971 -24.091  -7.602
  211    H    CYS  30           HN       CYS  30   6.028 -17.196  -0.810
  212    HA   CYS  30           HA       CYS  30   8.176 -15.316  -0.618
  213   1HB   CYS  30           HB1      CYS  30   6.151 -15.679   1.565
  214   2HB   CYS  30           HB2      CYS  30   6.883 -14.203   0.956
  215    H    SER  31           HN       SER  31   8.181 -18.450   0.497
  216    HA   SER  31           HA       SER  31   8.962 -18.534   3.127
  217   1HB   SER  31           HB1      SER  31   9.404 -20.155   0.848
  218   2HB   SER  31           HB2      SER  31  10.980 -19.929   1.599
  219    HG   SER  31           HG       SER  31   8.832 -21.343   2.483
  220    H    SER  32           HN       SER  32   9.905 -16.618   3.859
  221    HA   SER  32           HA       SER  32  11.541 -14.949   4.098
  222   1HB   SER  32           HB1      SER  32  13.662 -16.941   3.543
  223   2HB   SER  32           HB2      SER  32  13.496 -15.819   4.889
  224    HG   SER  32           HG       SER  32  13.102 -17.852   5.683
  225    H    ARG  33           HN       ARG  33  10.833 -14.146   2.000
  226    HA   ARG  33           HA       ARG  33  13.115 -14.172   0.074
  227   1HB   ARG  33           HB1      ARG  33  10.342 -14.993  -0.412
  228   2HB   ARG  33           HB2      ARG  33  10.912 -13.769  -1.549
  229   1HG   ARG  33           HG1      ARG  33  12.284 -16.399  -0.910
  230   2HG   ARG  33           HG2      ARG  33  11.435 -16.005  -2.405
  231   1HD   ARG  33           HD1      ARG  33  13.105 -13.959  -2.451
  232   2HD   ARG  33           HD2      ARG  33  14.070 -14.985  -1.389
  233    HE   ARG  33           HE       ARG  33  13.184 -16.433  -3.735
  234   1HH1  ARG  33          HH21      ARG  33  15.909 -15.915  -2.097
  235   2HH1  ARG  33          HH22      ARG  33  16.926 -15.508  -3.438
  236   1HH2  ARG  33          HH11      ARG  33  14.293 -15.142  -5.665
  237   2HH2  ARG  33          HH12      ARG  33  16.012 -15.070  -5.458
  238    H    GLY  34           HN       GLY  34  10.074 -12.499  -0.486
  239   1HA   GLY  34           HA1      GLY  34  10.677 -10.021   0.761
  240   2HA   GLY  34           HA2      GLY  34  11.354  -9.979  -0.867
  241    H    LYS  35           HN       LYS  35   8.357 -10.326   0.976
  242    HA   LYS  35           HA       LYS  35   6.472 -10.627  -1.059
  243   1HB   LYS  35           HB1      LYS  35   6.214  -8.757   1.316
  244   2HB   LYS  35           HB2      LYS  35   4.890  -9.480   0.403
  245   1HG   LYS  35           HG1      LYS  35   4.981 -11.096   2.012
  246   2HG   LYS  35           HG2      LYS  35   6.348 -11.698   1.073
  247   1HD   LYS  35           HD1      LYS  35   7.747 -11.257   2.781
  248   2HD   LYS  35           HD2      LYS  35   7.242  -9.567   2.790
  249   1HE   LYS  35           HE1      LYS  35   5.128 -10.468   4.036
  250   2HE   LYS  35           HE2      LYS  35   6.127 -11.885   4.359
  251   1HZ   LYS  35           HZ1      LYS  35   7.028  -9.126   4.944
  252   2HZ   LYS  35           HZ2      LYS  35   6.198 -10.080   6.079
  253   3HZ   LYS  35           HZ3      LYS  35   7.708 -10.582   5.485
  254    H    VAL  36           HN       VAL  36   5.167  -9.014  -2.219
  255    HA   VAL  36           HA       VAL  36   6.787  -6.606  -2.926
  256    HB   VAL  36           HB       VAL  36   4.476  -7.171  -4.635
  257   1HG1  VAL  36          HG13      VAL  36   7.449  -6.768  -4.990
  258   2HG1  VAL  36          HG12      VAL  36   6.386  -7.127  -6.351
  259   3HG1  VAL  36          HG11      VAL  36   6.142  -5.660  -5.404
  260   1HG2  VAL  36          HG23      VAL  36   6.635  -9.278  -4.321
  261   2HG2  VAL  36          HG22      VAL  36   4.899  -9.498  -4.113
  262   3HG2  VAL  36          HG21      VAL  36   5.561  -9.178  -5.715
  263    H    LEU  37           HN       LEU  37   5.892  -5.608  -0.906
  264    HA   LEU  37           HA       LEU  37   3.037  -4.838  -1.155
  265   1HB   LEU  37           HB1      LEU  37   4.993  -4.913   1.140
  266   2HB   LEU  37           HB2      LEU  37   3.399  -4.198   1.265
  267    HG   LEU  37           HG       LEU  37   2.444  -6.221   1.553
  268   1HD1  LEU  37          HD12      LEU  37   2.681  -6.563  -0.981
  269   2HD1  LEU  37          HD11      LEU  37   4.124  -7.501  -0.608
  270   3HD1  LEU  37          HD13      LEU  37   2.554  -8.024  -0.009
  271   1HD2  LEU  37          HD23      LEU  37   5.344  -7.005   1.601
  272   2HD2  LEU  37          HD22      LEU  37   4.268  -6.709   2.967
  273   3HD2  LEU  37          HD21      LEU  37   4.058  -8.152   1.974
  274    H    GLU  38           HN       GLU  38   2.782  -2.889  -2.112
  275    HA   GLU  38           HA       GLU  38   4.602  -0.670  -1.280
  276   1HB   GLU  38           HB1      GLU  38   4.516   0.198  -3.605
  277   2HB   GLU  38           HB2      GLU  38   5.272  -1.395  -3.536
  278   1HG   GLU  38           HG1      GLU  38   3.757  -2.102  -5.047
  279   2HG   GLU  38           HG2      GLU  38   2.507  -1.874  -3.822
  280    H    PHE  39           HN       PHE  39   3.571   1.401  -1.258
  281    HA   PHE  39           HA       PHE  39   0.609   1.274  -1.346
  282   1HB   PHE  39           HB1      PHE  39   2.183   3.248   0.301
  283   2HB   PHE  39           HB2      PHE  39   0.510   2.730   0.512
  284    HD1  PHE  39           HD2      PHE  39   1.048  -0.259   0.019
  285    HD2  PHE  39           HD1      PHE  39   2.985   2.651   2.521
  286    HE1  PHE  39           HE2      PHE  39   1.808  -2.069   1.530
  287    HE2  PHE  39           HE1      PHE  39   3.746   0.835   4.035
  288    HZ   PHE  39           HZ       PHE  39   3.157  -1.529   3.538
  289    H    GLY  40           HN       GLY  40  -0.441   2.846  -2.577
  290   1HA   GLY  40           HA1      GLY  40   1.328   4.905  -3.842
  291   2HA   GLY  40           HA2      GLY  40   0.110   4.032  -4.767
  292    H    CYS  41           HN       CYS  41  -1.092   5.892  -5.321
  293    HA   CYS  41           HA       CYS  41  -2.180   7.542  -3.108
  294   1HB   CYS  41           HB1      CYS  41  -1.126   8.448  -5.317
  295   2HB   CYS  41           HB2      CYS  41  -2.658   8.014  -6.042
  296    H    ALA  42           HN       ALA  42  -4.525   8.235  -3.696
  297    HA   ALA  42           HA       ALA  42  -6.309   6.573  -5.112
  298   1HB   ALA  42           HB2      ALA  42  -5.852   5.733  -2.241
  299   2HB   ALA  42           HB1      ALA  42  -7.277   5.271  -3.172
  300   3HB   ALA  42           HB3      ALA  42  -5.677   4.741  -3.688
  301    H    ALA  43           HN       ALA  43  -8.586   6.652  -3.926
  302    HA   ALA  43           HA       ALA  43  -8.945   9.455  -3.004
  303   1HB   ALA  43           HB1      ALA  43 -10.023   8.639  -5.192
  304   2HB   ALA  43           HB3      ALA  43 -11.093   7.683  -4.168
  305   3HB   ALA  43           HB2      ALA  43 -11.085   9.441  -4.034
  306    H    THR  44           HN       THR  44 -10.088   6.111  -2.505
  307    HA   THR  44           HA       THR  44 -10.547   6.764   0.343
  308    HB   THR  44           HB       THR  44 -12.726   7.168  -0.759
  309    HG1  THR  44           HG1      THR  44 -13.838   5.966   0.668
  310   1HG2  THR  44          HG21      THR  44 -11.976   5.145  -2.452
  311   2HG2  THR  44          HG23      THR  44 -13.150   4.329  -1.419
  312   3HG2  THR  44          HG22      THR  44 -13.616   5.776  -2.314
  313    H    CYS  45           HN       CYS  45 -10.591   4.837   1.670
  314    HA   CYS  45           HA       CYS  45  -8.787   2.897   1.224
  315   1HB   CYS  45           HB1      CYS  45 -10.266   3.379   3.271
  316   2HB   CYS  45           HB2      CYS  45 -11.394   2.242   2.547
  317    HA   PRO  46           HA       PRO  46 -10.860   0.771  -2.189
  318   1HB   PRO  46           HB1      PRO  46  -8.622  -0.582  -3.042
  319   2HB   PRO  46           HB2      PRO  46  -8.989   1.094  -3.486
  320   1HG   PRO  46           HG1      PRO  46  -6.955   0.039  -1.578
  321   2HG   PRO  46           HG2      PRO  46  -6.973   1.575  -2.458
  322   1HD   PRO  46           HD1      PRO  46  -7.659   1.150   0.281
  323   2HD   PRO  46           HD2      PRO  46  -7.866   2.649  -0.648
  324    H    SER  47           HN       SER  47 -11.282  -1.539  -2.673
  325    HA   SER  47           HA       SER  47 -10.452  -3.428  -0.524
  326   1HB   SER  47           HB1      SER  47 -12.693  -2.558   0.061
  327   2HB   SER  47           HB2      SER  47 -13.295  -3.060  -1.517
  328    HG   SER  47           HG       SER  47 -12.001  -4.913   0.143
  329    H    VAL  48           HN       VAL  48  -9.027  -4.135  -2.349
  330    HA   VAL  48           HA       VAL  48 -10.492  -5.609  -4.475
  331    HB   VAL  48           HB       VAL  48  -7.561  -5.051  -4.340
  332   1HG1  VAL  48          HG13      VAL  48  -9.479  -5.962  -6.475
  333   2HG1  VAL  48          HG12      VAL  48  -7.903  -5.280  -6.879
  334   3HG1  VAL  48          HG11      VAL  48  -8.006  -6.759  -5.924
  335   1HG2  VAL  48          HG23      VAL  48  -9.801  -3.267  -4.922
  336   2HG2  VAL  48          HG22      VAL  48  -8.107  -2.872  -4.632
  337   3HG2  VAL  48          HG21      VAL  48  -8.637  -3.354  -6.244
  338    H    ASN  49           HN       ASN  49 -10.849  -7.711  -3.926
  339    HA   ASN  49           HA       ASN  49  -9.085  -9.056  -2.042
  340   1HB   ASN  49           HB1      ASN  49 -11.505  -9.391  -1.859
  341   2HB   ASN  49           HB2      ASN  49 -11.549 -10.031  -3.502
  342   1HD2  ASN  49          HD22      ASN  49 -10.147 -12.370  -0.447
  343   2HD2  ASN  49          HD21      ASN  49 -10.401 -10.711  -0.197
  344    H    THR  50           HN       THR  50  -8.180  -8.334  -4.855
  345    HA   THR  50           HA       THR  50  -7.937 -10.859  -6.285
  346    HB   THR  50           HB       THR  50  -7.853  -8.644  -7.426
  347    HG1  THR  50           HG1      THR  50  -6.173  -9.223  -8.773
  348   1HG2  THR  50          HG23      THR  50  -6.314  -7.809  -5.401
  349   2HG2  THR  50          HG22      THR  50  -5.036  -8.266  -6.528
  350   3HG2  THR  50          HG21      THR  50  -6.237  -7.064  -6.997
  351    H    GLY  51           HN       GLY  51  -7.075 -12.110  -4.369
  352   1HA   GLY  51           HA1      GLY  51  -5.310 -12.910  -3.010
  353   2HA   GLY  51           HA2      GLY  51  -4.420 -12.820  -4.532
  354    H    THR  52           HN       THR  52  -5.747  -9.958  -3.020
  355    HA   THR  52           HA       THR  52  -3.045  -9.196  -2.023
  356    HB   THR  52           HB       THR  52  -4.806  -7.643  -3.937
  357    HG1  THR  52           HG1      THR  52  -2.763  -7.589  -5.057
  358   1HG2  THR  52          HG22      THR  52  -2.423  -6.699  -2.315
  359   2HG2  THR  52          HG21      THR  52  -3.153  -5.797  -3.644
  360   3HG2  THR  52          HG23      THR  52  -4.082  -6.113  -2.179
  361    H    GLU  53           HN       GLU  53  -3.155  -8.174  -0.053
  362    HA   GLU  53           HA       GLU  53  -5.862  -7.585   1.011
  363   1HB   GLU  53           HB1      GLU  53  -4.751  -7.533   3.208
  364   2HB   GLU  53           HB2      GLU  53  -4.359  -9.029   2.358
  365   1HG   GLU  53           HG1      GLU  53  -2.390  -7.304   1.478
  366   2HG   GLU  53           HG2      GLU  53  -2.604  -6.808   3.156
  367    H    ILE  54           HN       ILE  54  -6.468  -5.485   0.537
  368    HA   ILE  54           HA       ILE  54  -4.367  -3.395   0.563
  369    HB   ILE  54           HB       ILE  54  -6.745  -3.847  -0.973
  370   1HG1  ILE  54          HG11      ILE  54  -5.259  -1.312  -1.294
  371   2HG1  ILE  54          HG12      ILE  54  -4.271  -2.772  -1.311
  372   1HG2  ILE  54          HG23      ILE  54  -6.752  -1.276   0.630
  373   2HG2  ILE  54          HG22      ILE  54  -7.687  -1.505  -0.847
  374   3HG2  ILE  54          HG21      ILE  54  -8.021  -2.497   0.573
  375   1HD1  ILE  54          HD11      ILE  54  -6.801  -2.704  -2.924
  376   2HD1  ILE  54          HD12      ILE  54  -5.367  -1.891  -3.548
  377   3HD1  ILE  54          HD13      ILE  54  -5.322  -3.621  -3.210
  378    H    LYS  55           HN       LYS  55  -4.876  -1.344   1.694
  379    HA   LYS  55           HA       LYS  55  -6.845  -1.518   3.879
  380   1HB   LYS  55           HB1      LYS  55  -4.097  -0.708   4.702
  381   2HB   LYS  55           HB2      LYS  55  -5.360  -1.501   5.638
  382   1HG   LYS  55           HG1      LYS  55  -4.963  -3.580   4.278
  383   2HG   LYS  55           HG2      LYS  55  -3.587  -2.768   3.531
  384   1HD   LYS  55           HD1      LYS  55  -2.481  -3.796   5.273
  385   2HD   LYS  55           HD2      LYS  55  -2.976  -2.323   6.109
  386   1HE   LYS  55           HE1      LYS  55  -5.199  -3.942   6.372
  387   2HE   LYS  55           HE2      LYS  55  -3.871  -5.095   6.504
  388   1HZ   LYS  55           HZ3      LYS  55  -3.996  -2.561   8.038
  389   2HZ   LYS  55           HZ1      LYS  55  -4.562  -4.043   8.636
  390   3HZ   LYS  55           HZ2      LYS  55  -2.916  -3.852   8.261
  391    H    CYS  56           HN       CYS  56  -6.610   0.661   5.194
  392    HA   CYS  56           HA       CYS  56  -6.439   2.819   3.152
  393   1HB   CYS  56           HB1      CYS  56  -7.432   3.532   5.837
  394   2HB   CYS  56           HB2      CYS  56  -8.139   3.862   4.258
  395    H    CYS  57           HN       CYS  57  -4.843   4.348   3.291
  396    HA   CYS  57           HA       CYS  57  -3.418   4.761   5.845
  397   1HB   CYS  57           HB1      CYS  57  -2.206   2.880   4.894
  398   2HB   CYS  57           HB2      CYS  57  -2.085   3.703   3.340
  399    H    SER  58           HN       SER  58  -2.345   6.763   5.903
  400    HA   SER  58           HA       SER  58  -2.305   8.338   3.407
  401   1HB   SER  58           HB1      SER  58  -3.132  10.280   5.088
  402   2HB   SER  58           HB2      SER  58  -4.247   9.327   4.115
  403    HG   SER  58           HG       SER  58  -4.824   9.352   6.334
  404    H    ALA  59           HN       ALA  59  -0.721   7.311   6.111
  405    HA   ALA  59           HA       ALA  59   1.514   9.093   5.589
  406   1HB   ALA  59           HB1      ALA  59  -0.096   9.446   8.129
  407   2HB   ALA  59           HB3      ALA  59   1.558  10.030   7.944
  408   3HB   ALA  59           HB2      ALA  59   0.277  10.672   6.916
  409    H    ASP  60           HN       ASP  60   1.452   8.294   8.868
  410    HA   ASP  60           HA       ASP  60   3.142   5.917   8.344
  411   1HB   ASP  60           HB1      ASP  60   4.106   7.615   9.842
  412   2HB   ASP  60           HB2      ASP  60   2.678   7.535  10.875
  413    H    LYS  61           HN       LYS  61   0.293   5.896   7.976
  414    HA   LYS  61           HA       LYS  61  -0.605   4.175  10.214
  415   1HB   LYS  61           HB1      LYS  61  -2.160   5.959   9.902
  416   2HB   LYS  61           HB2      LYS  61  -2.122   5.769   8.149
  417   1HG   LYS  61           HG1      LYS  61  -3.447   3.852   8.198
  418   2HG   LYS  61           HG2      LYS  61  -2.982   3.450   9.851
  419   1HD   LYS  61           HD1      LYS  61  -4.267   6.014   9.864
  420   2HD   LYS  61           HD2      LYS  61  -5.288   4.882   8.976
  421   1HE   LYS  61           HE1      LYS  61  -5.637   3.543  10.824
  422   2HE   LYS  61           HE2      LYS  61  -4.068   3.928  11.530
  423   1HZ   LYS  61           HZ2      LYS  61  -5.746   6.227  11.321
  424   2HZ   LYS  61           HZ3      LYS  61  -6.473   5.004  12.250
  425   3HZ   LYS  61           HZ1      LYS  61  -4.942   5.596  12.679
  426    H    CYS  62           HN       CYS  62   0.706   4.014   7.175
  427    HA   CYS  62           HA       CYS  62  -0.801   2.070   5.803
  428   1HB   CYS  62           HB1      CYS  62   2.166   2.620   5.934
  429   2HB   CYS  62           HB2      CYS  62   1.509   1.349   4.907
  430    H    ASN  63           HN       ASN  63   1.601   1.685   8.389
  431    HA   ASN  63           HA       ASN  63   1.017  -1.227   8.446
  432   1HB   ASN  63           HB1      ASN  63   3.006  -1.368   9.927
  433   2HB   ASN  63           HB2      ASN  63   3.395  -0.628   8.373
  434   1HD2  ASN  63          HD22      ASN  63   4.451   2.386   9.852
  435   2HD2  ASN  63          HD21      ASN  63   4.396   1.401   8.470
  436    H    THR  64           HN       THR  64   1.049   1.672  10.505
  437    HA   THR  64           HA       THR  64  -0.128   2.134  12.481
  438    HB   THR  64           HB       THR  64  -1.878  -0.145  12.587
  439    HG1  THR  64           HG1      THR  64  -2.811   0.211  10.515
  440   1HG2  THR  64          HG21      THR  64  -2.133   2.799  11.959
  441   2HG2  THR  64          HG23      THR  64  -3.524   1.725  12.118
  442   3HG2  THR  64          HG22      THR  64  -2.454   1.993  13.495
  443    H    TYR  65           HN       TYR  65   1.400   1.761  14.058
  444    HA   TYR  65           HA       TYR  65   2.769   0.533  15.554
  445   1HB   TYR  65           HB1      TYR  65   0.929   0.902  16.956
  446   2HB   TYR  65           HB2      TYR  65  -0.111  -0.166  16.022
  447    HD1  TYR  65           HD1      TYR  65   3.239  -0.461  17.709
  448    HD2  TYR  65           HD2      TYR  65  -0.687  -2.121  17.160
  449    HE1  TYR  65           HE1      TYR  65   3.817  -2.333  19.233
  450    HE2  TYR  65           HE2      TYR  65  -0.108  -3.993  18.684
  451    HH   TYR  65           HH       TYR  65   2.786  -3.980  20.593
  452    HA   PRO  66           HA       PRO  66   2.951  -3.335  13.057
  453   1HB   PRO  66           HB1      PRO  66   5.594  -3.013  12.353
  454   2HB   PRO  66           HB2      PRO  66   4.238  -2.374  11.408
  455   1HG   PRO  66           HG1      PRO  66   6.153  -0.934  13.199
  456   2HG   PRO  66           HG2      PRO  66   5.258  -0.326  11.797
  457   1HD   PRO  66           HD1      PRO  66   4.597   0.094  14.526
  458   2HD   PRO  66           HD2      PRO  66   3.545   0.424  13.133
   
  No H/Q in entry =         458
  Start of MODEL   21
    1   1H    ARG   1           HT2      ARG   1   3.026  15.721  -0.970
    2   2H    ARG   1           HT3      ARG   1   4.134  15.341  -2.199
    3   3H    ARG   1           HT1      ARG   1   2.509  15.629  -2.584
    4    HA   ARG   1           HA       ARG   1   2.144  13.477  -2.446
    5   1HB   ARG   1           HB1      ARG   1   3.921  12.037  -2.352
    6   2HB   ARG   1           HB2      ARG   1   4.830  13.535  -2.506
    7   1HG   ARG   1           HG1      ARG   1   4.171  12.106   0.088
    8   2HG   ARG   1           HG2      ARG   1   5.756  12.186  -0.683
    9   1HD   ARG   1           HD1      ARG   1   4.349  14.759  -0.097
   10   2HD   ARG   1           HD2      ARG   1   5.074  13.890   1.252
   11    HE   ARG   1           HE       ARG   1   6.920  14.140  -0.965
   12   1HH1  ARG   1          HH21      ARG   1   7.112  14.500   2.169
   13   2HH1  ARG   1          HH22      ARG   1   7.711  16.125   2.223
   14   1HH2  ARG   1          HH11      ARG   1   6.988  16.784  -1.104
   15   2HH2  ARG   1          HH12      ARG   1   7.641  17.418   0.370
   16    H    GLU   2           HN       GLU   2   1.436  11.808  -0.850
   17    HA   GLU   2           HA       GLU   2   1.487  12.750   1.959
   18   1HB   GLU   2           HB1      GLU   2  -0.646  13.439   0.416
   19   2HB   GLU   2           HB2      GLU   2  -1.187  11.880   1.043
   20   1HG   GLU   2           HG1      GLU   2  -1.894  13.591   2.602
   21   2HG   GLU   2           HG2      GLU   2  -0.574  12.694   3.352
   22    H    CYS   3           HN       CYS   3   2.806  10.550   0.906
   23    HA   CYS   3           HA       CYS   3   1.419   8.380   2.374
   24   1HB   CYS   3           HB1      CYS   3   2.839   7.749  -0.203
   25   2HB   CYS   3           HB2      CYS   3   1.634   6.791   0.653
   26    H    TYR   4           HN       TYR   4   4.362   9.162   0.570
   27    HA   TYR   4           HA       TYR   4   6.607   8.515   1.017
   28   1HB   TYR   4           HB1      TYR   4   6.886   9.446   3.636
   29   2HB   TYR   4           HB2      TYR   4   7.090  10.398   2.171
   30    HD1  TYR   4           HD1      TYR   4   4.559   9.300   4.697
   31    HD2  TYR   4           HD2      TYR   4   5.542  12.133   1.622
   32    HE1  TYR   4           HE1      TYR   4   2.582  10.662   5.321
   33    HE2  TYR   4           HE2      TYR   4   3.562  13.496   2.245
   34    HH   TYR   4           HH       TYR   4   1.886  13.093   5.114
   35    H    LEU   5           HN       LEU   5   7.805   7.945   3.561
   36    HA   LEU   5           HA       LEU   5   8.224   6.108   4.942
   37   1HB   LEU   5           HB1      LEU   5   5.273   6.010   4.627
   38   2HB   LEU   5           HB2      LEU   5   6.088   4.696   5.449
   39    HG   LEU   5           HG       LEU   5   6.473   7.620   6.158
   40   1HD1  LEU   5          HD11      LEU   5   4.090   6.422   6.446
   41   2HD1  LEU   5          HD13      LEU   5   4.877   5.788   7.892
   42   3HD1  LEU   5          HD12      LEU   5   4.727   7.531   7.661
   43   1HD2  LEU   5          HD23      LEU   5   8.231   5.924   6.807
   44   2HD2  LEU   5          HD21      LEU   5   7.484   6.750   8.173
   45   3HD2  LEU   5          HD22      LEU   5   6.998   5.105   7.766
   46    H    ASN   6           HN       ASN   6   9.480   5.280   3.033
   47    HA   ASN   6           HA       ASN   6   8.090   2.915   1.854
   48   1HB   ASN   6           HB1      ASN   6   8.558   4.624   0.147
   49   2HB   ASN   6           HB2      ASN   6  10.265   4.607   0.592
   50   1HD2  ASN   6          HD22      ASN   6   8.806   1.741  -1.884
   51   2HD2  ASN   6          HD21      ASN   6   7.842   3.024  -1.333
   52    HA   PRO   7           HA       PRO   7  11.785   1.359   4.146
   53   1HB   PRO   7           HB1      PRO   7  10.355  -0.395   5.720
   54   2HB   PRO   7           HB2      PRO   7  10.719   1.270   6.208
   55   1HG   PRO   7           HG1      PRO   7   8.145   0.090   5.234
   56   2HG   PRO   7           HG2      PRO   7   8.405   1.468   6.315
   57   1HD   PRO   7           HD1      PRO   7   7.748   1.608   3.560
   58   2HD   PRO   7           HD2      PRO   7   8.351   2.948   4.557
   59    H    HIS   8           HN       HIS   8   8.900   0.050   2.731
   60    HA   HIS   8           HA       HIS   8  10.270  -1.688   0.939
   61   1HB   HIS   8           HB1      HIS   8  10.042  -3.800   1.862
   62   2HB   HIS   8           HB2      HIS   8  10.206  -2.884   3.355
   63    HD1  HIS   8           HD1      HIS   8   7.770  -4.867   1.361
   64    HD2  HIS   8           HD2      HIS   8   7.708  -2.472   4.774
   65    HE1  HIS   8           HE1      HIS   8   5.533  -5.276   2.479
   66    H    ASP   9           HN       ASP   9   8.276   0.385   1.035
   67    HA   ASP   9           HA       ASP   9   6.428  -0.559  -0.887
   68   1HB   ASP   9           HB1      ASP   9   4.352  -0.443   0.661
   69   2HB   ASP   9           HB2      ASP   9   5.329  -1.910   0.720
   70    H    THR  10           HN       THR  10   4.235   0.986  -0.545
   71    HA   THR  10           HA       THR  10   3.421   3.181  -0.521
   72    HB   THR  10           HB       THR  10   5.844   4.405   0.633
   73    HG1  THR  10           HG1      THR  10   4.790   3.244   2.676
   74   1HG2  THR  10          HG21      THR  10   2.912   4.547   0.772
   75   2HG2  THR  10          HG23      THR  10   3.713   4.770   2.328
   76   3HG2  THR  10          HG22      THR  10   4.115   5.823   0.971
   77    H    GLN  11           HN       GLN  11   4.016   5.388  -1.505
   78    HA   GLN  11           HA       GLN  11   6.373   5.506  -3.156
   79   1HB   GLN  11           HB1      GLN  11   5.453   5.176  -5.298
   80   2HB   GLN  11           HB2      GLN  11   4.740   3.884  -4.335
   81   1HG   GLN  11           HG1      GLN  11   2.742   5.369  -3.952
   82   2HG   GLN  11           HG2      GLN  11   3.449   6.526  -5.081
   83   1HE2  GLN  11          HE22      GLN  11   2.151   4.807  -7.857
   84   2HE2  GLN  11          HE21      GLN  11   2.684   6.269  -7.180
   85    H    THR  12           HN       THR  12   4.315   7.132  -1.336
   86    HA   THR  12           HA       THR  12   3.703   9.392  -1.176
   87    HB   THR  12           HB       THR  12   5.305  10.906  -1.937
   88    HG1  THR  12           HG1      THR  12   6.555  10.448  -3.830
   89   1HG2  THR  12          HG21      THR  12   6.169   8.566  -0.852
   90   2HG2  THR  12          HG23      THR  12   7.142   8.636  -2.321
   91   3HG2  THR  12          HG22      THR  12   7.209   9.957  -1.154
   92    H    CYS  13           HN       CYS  13   2.404  10.980  -2.225
   93    HA   CYS  13           HA       CYS  13   1.592  10.356  -5.028
   94   1HB   CYS  13           HB1      CYS  13  -0.132   9.348  -3.689
   95   2HB   CYS  13           HB2      CYS  13  -0.207  10.750  -2.621
   96    HA   PRO  14           HA       PRO  14   2.452  14.841  -4.258
   97   1HB   PRO  14           HB1      PRO  14   4.282  15.080  -6.304
   98   2HB   PRO  14           HB2      PRO  14   4.710  14.652  -4.639
   99   1HG   PRO  14           HG1      PRO  14   4.542  12.912  -7.070
  100   2HG   PRO  14           HG2      PRO  14   5.552  12.726  -5.626
  101   1HD   PRO  14           HD1      PRO  14   3.159  11.314  -6.184
  102   2HD   PRO  14           HD2      PRO  14   3.975  11.394  -4.608
  103    H    SER  15           HN       SER  15   1.361  12.878  -6.862
  104    HA   SER  15           HA       SER  15   0.017  15.247  -8.064
  105   1HB   SER  15           HB1      SER  15   1.409  13.076  -9.662
  106   2HB   SER  15           HB2      SER  15   0.526  14.447 -10.325
  107    HG   SER  15           HG       SER  15   2.117  15.748  -9.867
  108    H    GLY  16           HN       GLY  16  -2.141  14.837  -8.166
  109   1HA   GLY  16           HA1      GLY  16  -3.834  13.238  -9.190
  110   2HA   GLY  16           HA2      GLY  16  -3.000  11.972  -8.290
  111    H    GLN  17           HN       GLN  17  -4.742  11.401  -6.952
  112    HA   GLN  17           HA       GLN  17  -6.367  13.341  -5.561
  113   1HB   GLN  17           HB1      GLN  17  -5.880  10.409  -4.939
  114   2HB   GLN  17           HB2      GLN  17  -7.183  11.395  -4.277
  115   1HG   GLN  17           HG1      GLN  17  -7.101  11.598  -7.172
  116   2HG   GLN  17           HG2      GLN  17  -7.239   9.914  -6.664
  117   1HE2  GLN  17          HE22      GLN  17 -10.726  10.989  -6.710
  118   2HE2  GLN  17          HE21      GLN  17  -9.512  10.472  -7.778
  119    H    GLU  18           HN       GLU  18  -6.260  12.213  -2.890
  120    HA   GLU  18           HA       GLU  18  -3.527  13.061  -2.028
  121   1HB   GLU  18           HB1      GLU  18  -4.469  14.346  -0.218
  122   2HB   GLU  18           HB2      GLU  18  -5.283  14.857  -1.697
  123   1HG   GLU  18           HG1      GLU  18  -7.262  14.290  -0.784
  124   2HG   GLU  18           HG2      GLU  18  -6.712  12.619  -0.651
  125    H    ILE  19           HN       ILE  19  -5.599  10.542  -2.154
  126    HA   ILE  19           HA       ILE  19  -5.018   9.568   0.602
  127    HB   ILE  19           HB       ILE  19  -6.695   8.182  -1.476
  128   1HG1  ILE  19          HG11      ILE  19  -7.190  10.771  -0.433
  129   2HG1  ILE  19          HG12      ILE  19  -8.309   9.760  -1.337
  130   1HG2  ILE  19          HG21      ILE  19  -6.564   8.136   1.551
  131   2HG2  ILE  19          HG22      ILE  19  -7.828   7.330   0.618
  132   3HG2  ILE  19          HG23      ILE  19  -6.144   6.831   0.440
  133   1HD1  ILE  19          HD11      ILE  19  -7.950   9.721   1.677
  134   2HD1  ILE  19          HD12      ILE  19  -9.289  10.477   0.814
  135   3HD1  ILE  19          HD13      ILE  19  -9.085   8.726   0.765
  136    H    CYS  20           HN       CYS  20  -4.205   7.400   0.817
  137    HA   CYS  20           HA       CYS  20  -2.640   6.466  -1.553
  138   1HB   CYS  20           HB1      CYS  20  -1.615   6.130   1.263
  139   2HB   CYS  20           HB2      CYS  20  -0.719   6.046  -0.250
  140    H    TYR  21           HN       TYR  21  -3.053   4.361  -2.044
  141    HA   TYR  21           HA       TYR  21  -4.516   2.769   0.010
  142   1HB   TYR  21           HB1      TYR  21  -5.403   1.461  -1.737
  143   2HB   TYR  21           HB2      TYR  21  -5.368   3.074  -2.448
  144    HD1  TYR  21           HD2      TYR  21  -3.471  -0.123  -2.190
  145    HD2  TYR  21           HD1      TYR  21  -4.061   3.527  -4.369
  146    HE1  TYR  21           HE2      TYR  21  -1.964  -0.943  -3.979
  147    HE2  TYR  21           HE1      TYR  21  -2.553   2.705  -6.158
  148    HH   TYR  21           HH       TYR  21  -1.126   1.101  -6.758
  149    H    VAL  22           HN       VAL  22  -3.653   0.695   0.598
  150    HA   VAL  22           HA       VAL  22  -0.788   0.413  -0.172
  151    HB   VAL  22           HB       VAL  22  -0.328  -0.481   2.002
  152   1HG1  VAL  22          HG12      VAL  22  -0.882   2.069   1.701
  153   2HG1  VAL  22          HG11      VAL  22  -2.318   1.682   2.650
  154   3HG1  VAL  22          HG13      VAL  22  -0.715   1.414   3.329
  155   1HG2  VAL  22          HG22      VAL  22  -3.267  -0.877   2.022
  156   2HG2  VAL  22          HG21      VAL  22  -1.988  -1.885   2.701
  157   3HG2  VAL  22          HG23      VAL  22  -2.530  -0.446   3.566
  158    H    LYS  23           HN       LYS  23  -0.602  -1.198  -1.647
  159    HA   LYS  23           HA       LYS  23  -2.313  -3.625  -1.300
  160   1HB   LYS  23           HB1      LYS  23  -2.581  -2.631  -3.496
  161   2HB   LYS  23           HB2      LYS  23  -0.833  -2.543  -3.718
  162   1HG   LYS  23           HG1      LYS  23  -0.928  -5.138  -3.337
  163   2HG   LYS  23           HG2      LYS  23  -2.630  -4.952  -3.753
  164   1HD   LYS  23           HD1      LYS  23  -0.520  -3.709  -5.497
  165   2HD   LYS  23           HD2      LYS  23  -0.891  -5.427  -5.658
  166   1HE   LYS  23           HE1      LYS  23  -3.347  -4.724  -5.841
  167   2HE   LYS  23           HE2      LYS  23  -2.757  -3.074  -6.033
  168   1HZ   LYS  23           HZ1      LYS  23  -1.974  -5.377  -7.735
  169   2HZ   LYS  23           HZ2      LYS  23  -3.101  -4.181  -8.165
  170   3HZ   LYS  23           HZ3      LYS  23  -1.470  -3.771  -7.934
  171    H    SER  24           HN       SER  24  -1.295  -5.507  -0.717
  172    HA   SER  24           HA       SER  24   1.661  -5.621  -1.065
  173   1HB   SER  24           HB1      SER  24   1.699  -5.147   1.181
  174   2HB   SER  24           HB2      SER  24   0.083  -5.790   1.454
  175    HG   SER  24           HG       SER  24   0.849  -7.749   1.692
  176    H    TRP  25           HN       TRP  25   2.204  -7.451  -2.124
  177    HA   TRP  25           HA       TRP  25   0.612  -9.920  -1.571
  178   1HB   TRP  25           HB1      TRP  25   0.669 -10.483  -3.989
  179   2HB   TRP  25           HB2      TRP  25  -0.243  -9.007  -3.673
  180    HD1  TRP  25           HD1      TRP  25   2.643 -10.282  -5.648
  181    HE1  TRP  25           HE1      TRP  25   3.794  -8.295  -6.840
  182    HE3  TRP  25           HE3      TRP  25   0.429  -6.473  -3.187
  183    HZ2  TRP  25           HZ2      TRP  25   3.757  -5.404  -6.715
  184    HZ3  TRP  25           HZ3      TRP  25   0.979  -4.159  -3.677
  185    HH2  TRP  25           HH2      TRP  25   2.638  -3.575  -5.445
  186    H    CYS  26           HN       CYS  26   1.896 -11.644  -1.193
  187    HA   CYS  26           HA       CYS  26   4.794 -11.429  -1.903
  188   1HB   CYS  26           HB1      CYS  26   4.754 -11.496   0.436
  189   2HB   CYS  26           HB2      CYS  26   3.317 -12.509   0.483
  190    H    ASN  27           HN       ASN  27   5.809 -13.679  -2.254
  191    HA   ASN  27           HA       ASN  27   3.950 -15.275  -3.942
  192   1HB   ASN  27           HB1      ASN  27   6.374 -14.352  -4.594
  193   2HB   ASN  27           HB2      ASN  27   6.884 -15.846  -3.806
  194   1HD2  ASN  27          HD22      ASN  27   4.769 -16.037  -7.322
  195   2HD2  ASN  27          HD21      ASN  27   4.773 -14.597  -6.425
  196    H    ALA  28           HN       ALA  28   6.057 -17.546  -3.568
  197    HA   ALA  28           HA       ALA  28   4.768 -18.602  -1.115
  198   1HB   ALA  28           HB1      ALA  28   6.081 -19.935  -3.472
  199   2HB   ALA  28           HB3      ALA  28   5.719 -20.819  -1.990
  200   3HB   ALA  28           HB2      ALA  28   4.411 -20.091  -2.924
  201    H    TRP  29           HN       TRP  29   7.656 -17.274  -2.083
  202    HA   TRP  29           HA       TRP  29   8.968 -18.295   0.361
  203   1HB   TRP  29           HB1      TRP  29  10.120 -18.466  -2.410
  204   2HB   TRP  29           HB2      TRP  29  11.071 -18.621  -0.961
  205    HD1  TRP  29           HD1      TRP  29   7.835 -20.264  -2.391
  206    HE1  TRP  29           HE1      TRP  29   7.921 -22.766  -1.748
  207    HE3  TRP  29           HE3      TRP  29  12.159 -20.295   0.204
  208    HZ2  TRP  29           HZ2      TRP  29   9.651 -24.557  -0.292
  209    HZ3  TRP  29           HZ3      TRP  29  13.047 -22.392   1.231
  210    HH2  TRP  29           HH2      TRP  29  11.789 -24.522   0.978
  211    H    CYS  30           HN       CYS  30   7.834 -15.657  -0.561
  212    HA   CYS  30           HA       CYS  30  10.015 -13.897  -1.190
  213   1HB   CYS  30           HB1      CYS  30   8.542 -12.084  -0.716
  214   2HB   CYS  30           HB2      CYS  30   7.570 -13.348  -1.468
  215    H    SER  31           HN       SER  31   9.754 -15.677   1.571
  216    HA   SER  31           HA       SER  31   9.986 -14.105   3.804
  217   1HB   SER  31           HB1      SER  31  10.502 -16.660   3.447
  218   2HB   SER  31           HB2      SER  31  12.169 -16.112   3.299
  219    HG   SER  31           HG       SER  31  10.791 -16.478   5.513
  220    H    SER  32           HN       SER  32  10.757 -12.021   3.361
  221    HA   SER  32           HA       SER  32  12.312 -10.352   2.801
  222   1HB   SER  32           HB1      SER  32  14.242 -12.254   4.122
  223   2HB   SER  32           HB2      SER  32  14.364 -10.501   4.029
  224    HG   SER  32           HG       SER  32  12.154 -11.754   5.244
  225    H    ARG  33           HN       ARG  33  11.937 -11.277   0.605
  226    HA   ARG  33           HA       ARG  33  14.589 -11.970  -0.582
  227   1HB   ARG  33           HB1      ARG  33  13.274 -14.033  -0.524
  228   2HB   ARG  33           HB2      ARG  33  11.923 -13.222  -1.314
  229   1HG   ARG  33           HG1      ARG  33  12.843 -13.569  -3.345
  230   2HG   ARG  33           HG2      ARG  33  14.357 -12.824  -2.830
  231   1HD   ARG  33           HD1      ARG  33  14.340 -15.288  -1.523
  232   2HD   ARG  33           HD2      ARG  33  13.686 -15.652  -3.119
  233    HE   ARG  33           HE       ARG  33  15.801 -15.132  -4.059
  234   1HH1  ARG  33          HH21      ARG  33  17.173 -13.007  -3.692
  235   2HH1  ARG  33          HH22      ARG  33  18.135 -13.114  -2.256
  236   1HH2  ARG  33          HH11      ARG  33  16.342 -15.772  -0.935
  237   2HH2  ARG  33          HH12      ARG  33  17.664 -14.680  -0.695
  238    H    GLY  34           HN       GLY  34  11.618 -11.793  -2.436
  239   1HA   GLY  34           HA1      GLY  34  12.477  -9.106  -3.430
  240   2HA   GLY  34           HA2      GLY  34  11.919 -10.371  -4.527
  241    H    LYS  35           HN       LYS  35  10.553  -9.629  -1.345
  242    HA   LYS  35           HA       LYS  35   7.873  -9.777  -2.035
  243   1HB   LYS  35           HB1      LYS  35   9.408  -8.520   0.112
  244   2HB   LYS  35           HB2      LYS  35   7.908  -7.660  -0.234
  245   1HG   LYS  35           HG1      LYS  35   6.643  -9.328   0.631
  246   2HG   LYS  35           HG2      LYS  35   7.565 -10.569  -0.220
  247   1HD   LYS  35           HD1      LYS  35   7.854 -10.889   2.175
  248   2HD   LYS  35           HD2      LYS  35   9.378 -10.310   1.498
  249   1HE   LYS  35           HE1      LYS  35   8.181  -7.943   2.086
  250   2HE   LYS  35           HE2      LYS  35   7.489  -8.962   3.348
  251   1HZ   LYS  35           HZ1      LYS  35  10.152  -9.634   3.241
  252   2HZ   LYS  35           HZ2      LYS  35  10.128  -7.939   3.114
  253   3HZ   LYS  35           HZ3      LYS  35   9.387  -8.705   4.436
  254    H    VAL  36           HN       VAL  36   6.488  -8.549  -3.240
  255    HA   VAL  36           HA       VAL  36   7.520  -5.936  -4.263
  256    HB   VAL  36           HB       VAL  36   5.143  -7.007  -5.598
  257   1HG1  VAL  36          HG12      VAL  36   7.858  -5.945  -6.316
  258   2HG1  VAL  36          HG11      VAL  36   6.900  -6.769  -7.546
  259   3HG1  VAL  36          HG13      VAL  36   6.266  -5.325  -6.757
  260   1HG2  VAL  36          HG22      VAL  36   7.662  -8.685  -5.462
  261   2HG2  VAL  36          HG21      VAL  36   6.000  -9.197  -5.160
  262   3HG2  VAL  36          HG23      VAL  36   6.519  -8.805  -6.800
  263    H    LEU  37           HN       LEU  37   6.723  -5.193  -2.034
  264    HA   LEU  37           HA       LEU  37   3.774  -4.820  -2.042
  265   1HB   LEU  37           HB1      LEU  37   5.853  -5.101   0.106
  266   2HB   LEU  37           HB2      LEU  37   4.324  -4.307   0.450
  267    HG   LEU  37           HG       LEU  37   3.082  -6.260  -0.066
  268   1HD1  LEU  37          HD12      LEU  37   5.624  -7.184  -1.393
  269   2HD1  LEU  37          HD11      LEU  37   4.357  -8.328  -0.952
  270   3HD1  LEU  37          HD13      LEU  37   4.014  -7.032  -2.095
  271   1HD2  LEU  37          HD23      LEU  37   5.616  -6.902   1.423
  272   2HD2  LEU  37          HD22      LEU  37   4.019  -6.555   2.085
  273   3HD2  LEU  37          HD21      LEU  37   4.317  -8.082   1.254
  274    H    GLU  38           HN       GLU  38   3.206  -2.784  -2.676
  275    HA   GLU  38           HA       GLU  38   4.707  -0.482  -1.541
  276   1HB   GLU  38           HB1      GLU  38   4.076   0.500  -4.014
  277   2HB   GLU  38           HB2      GLU  38   5.671  -0.085  -3.545
  278   1HG   GLU  38           HG1      GLU  38   4.911  -2.398  -4.306
  279   2HG   GLU  38           HG2      GLU  38   3.493  -1.610  -5.001
  280    H    PHE  39           HN       PHE  39   3.404   1.579  -2.002
  281    HA   PHE  39           HA       PHE  39   0.498   1.022  -2.087
  282   1HB   PHE  39           HB1      PHE  39   1.621   3.119  -0.239
  283   2HB   PHE  39           HB2      PHE  39   0.061   2.311  -0.163
  284    HD1  PHE  39           HD2      PHE  39   0.744  -0.525  -0.412
  285    HD2  PHE  39           HD1      PHE  39   2.754   2.597   1.751
  286    HE1  PHE  39           HE2      PHE  39   1.685  -2.211   1.139
  287    HE2  PHE  39           HE1      PHE  39   3.694   0.906   3.308
  288    HZ   PHE  39           HZ       PHE  39   3.160  -1.500   3.000
  289    H    GLY  40           HN       GLY  40  -0.661   2.595  -3.279
  290   1HA   GLY  40           HA1      GLY  40   1.056   4.742  -4.457
  291   2HA   GLY  40           HA2      GLY  40  -0.246   3.949  -5.338
  292    H    CYS  41           HN       CYS  41  -1.253   5.981  -5.740
  293    HA   CYS  41           HA       CYS  41  -2.249   7.502  -3.405
  294   1HB   CYS  41           HB1      CYS  41  -1.186   8.498  -5.573
  295   2HB   CYS  41           HB2      CYS  41  -2.755   8.193  -6.288
  296    H    ALA  42           HN       ALA  42  -4.584   8.348  -3.987
  297    HA   ALA  42           HA       ALA  42  -6.445   6.827  -5.438
  298   1HB   ALA  42           HB1      ALA  42  -5.435   5.410  -3.164
  299   2HB   ALA  42           HB3      ALA  42  -7.127   5.808  -2.867
  300   3HB   ALA  42           HB2      ALA  42  -6.676   4.898  -4.309
  301    H    ALA  43           HN       ALA  43  -8.701   6.920  -4.213
  302    HA   ALA  43           HA       ALA  43  -8.918   9.662  -3.091
  303   1HB   ALA  43           HB3      ALA  43 -10.301   8.327  -5.211
  304   2HB   ALA  43           HB2      ALA  43 -11.456   8.672  -3.923
  305   3HB   ALA  43           HB1      ALA  43 -10.516   9.981  -4.639
  306    H    THR  44           HN       THR  44 -10.243   6.354  -2.824
  307    HA   THR  44           HA       THR  44 -10.674   6.873   0.063
  308    HB   THR  44           HB       THR  44 -12.827   7.334  -1.153
  309    HG1  THR  44           HG1      THR  44 -13.225   4.968   0.261
  310   1HG2  THR  44          HG22      THR  44 -12.328   5.549  -2.915
  311   2HG2  THR  44          HG21      THR  44 -12.849   4.366  -1.714
  312   3HG2  THR  44          HG23      THR  44 -13.978   5.589  -2.295
  313    H    CYS  45           HN       CYS  45 -10.482   5.018   1.323
  314    HA   CYS  45           HA       CYS  45  -8.797   3.024   0.780
  315   1HB   CYS  45           HB1      CYS  45  -9.992   3.482   2.940
  316   2HB   CYS  45           HB2      CYS  45 -11.358   2.575   2.302
  317    HA   PRO  46           HA       PRO  46 -10.969   0.626  -2.327
  318   1HB   PRO  46           HB1      PRO  46  -8.862  -1.071  -2.859
  319   2HB   PRO  46           HB2      PRO  46  -9.009   0.561  -3.530
  320   1HG   PRO  46           HG1      PRO  46  -7.151  -0.449  -1.464
  321   2HG   PRO  46           HG2      PRO  46  -7.058   1.034  -2.419
  322   1HD   PRO  46           HD1      PRO  46  -7.945   0.716   0.320
  323   2HD   PRO  46           HD2      PRO  46  -7.805   2.217  -0.619
  324    H    SER  47           HN       SER  47 -12.159  -1.292  -2.192
  325    HA   SER  47           HA       SER  47 -11.543  -3.063   0.137
  326   1HB   SER  47           HB1      SER  47 -14.069  -3.740  -0.434
  327   2HB   SER  47           HB2      SER  47 -13.692  -2.359   0.593
  328    HG   SER  47           HG       SER  47 -15.105  -1.686  -0.992
  329    H    VAL  48           HN       VAL  48 -10.072  -3.564  -2.142
  330    HA   VAL  48           HA       VAL  48 -11.461  -5.880  -3.402
  331    HB   VAL  48           HB       VAL  48  -9.053  -4.409  -4.394
  332   1HG1  VAL  48          HG11      VAL  48 -10.824  -6.560  -5.549
  333   2HG1  VAL  48          HG13      VAL  48  -9.742  -5.586  -6.547
  334   3HG1  VAL  48          HG12      VAL  48  -9.081  -6.625  -5.283
  335   1HG2  VAL  48          HG23      VAL  48 -11.247  -3.093  -4.305
  336   2HG2  VAL  48          HG22      VAL  48 -10.482  -3.219  -5.890
  337   3HG2  VAL  48          HG21      VAL  48 -11.858  -4.247  -5.490
  338    H    ASN  49           HN       ASN  49 -10.852  -7.082  -1.369
  339    HA   ASN  49           HA       ASN  49  -8.008  -7.621  -1.018
  340   1HB   ASN  49           HB1      ASN  49  -9.581  -7.412   0.926
  341   2HB   ASN  49           HB2      ASN  49 -10.360  -8.900   0.387
  342   1HD2  ASN  49          HD22      ASN  49  -6.667  -9.064   2.155
  343   2HD2  ASN  49          HD21      ASN  49  -7.303  -7.571   1.659
  344    H    THR  50           HN       THR  50  -9.445  -8.465  -3.517
  345    HA   THR  50           HA       THR  50  -9.823 -11.317  -3.448
  346    HB   THR  50           HB       THR  50 -10.739  -9.899  -5.253
  347    HG1  THR  50           HG1      THR  50 -10.312 -12.084  -5.695
  348   1HG2  THR  50          HG22      THR  50  -8.466  -8.534  -5.228
  349   2HG2  THR  50          HG21      THR  50  -8.020  -9.688  -6.485
  350   3HG2  THR  50          HG23      THR  50  -9.430  -8.652  -6.699
  351    H    GLY  51           HN       GLY  51  -7.965 -12.181  -2.363
  352   1HA   GLY  51           HA1      GLY  51  -5.790 -13.064  -2.257
  353   2HA   GLY  51           HA2      GLY  51  -5.825 -13.026  -4.021
  354    H    THR  52           HN       THR  52  -6.374 -10.023  -2.452
  355    HA   THR  52           HA       THR  52  -3.514  -9.244  -2.831
  356    HB   THR  52           HB       THR  52  -6.006  -7.812  -3.785
  357    HG1  THR  52           HG1      THR  52  -4.297  -7.777  -5.631
  358   1HG2  THR  52          HG21      THR  52  -3.396  -6.749  -2.930
  359   2HG2  THR  52          HG23      THR  52  -3.894  -6.238  -4.543
  360   3HG2  THR  52          HG22      THR  52  -4.933  -5.915  -3.156
  361    H    GLU  53           HN       GLU  53  -2.699  -8.109  -1.092
  362    HA   GLU  53           HA       GLU  53  -4.501  -7.625   1.173
  363   1HB   GLU  53           HB1      GLU  53  -1.571  -6.904   1.013
  364   2HB   GLU  53           HB2      GLU  53  -2.529  -7.249   2.453
  365   1HG   GLU  53           HG1      GLU  53  -2.083  -9.296   0.270
  366   2HG   GLU  53           HG2      GLU  53  -0.995  -9.132   1.648
  367    H    ILE  54           HN       ILE  54  -5.781  -5.892   0.097
  368    HA   ILE  54           HA       ILE  54  -4.282  -3.344  -0.216
  369    HB   ILE  54           HB       ILE  54  -6.299  -4.471  -1.765
  370   1HG1  ILE  54          HG11      ILE  54  -5.613  -1.534  -1.631
  371   2HG1  ILE  54          HG12      ILE  54  -4.538  -2.750  -2.321
  372   1HG2  ILE  54          HG21      ILE  54  -7.792  -3.453   0.227
  373   2HG2  ILE  54          HG22      ILE  54  -7.601  -2.006  -0.761
  374   3HG2  ILE  54          HG23      ILE  54  -8.319  -3.457  -1.453
  375   1HD1  ILE  54          HD11      ILE  54  -6.771  -3.409  -3.645
  376   2HD1  ILE  54          HD12      ILE  54  -7.138  -1.709  -3.354
  377   3HD1  ILE  54          HD13      ILE  54  -5.678  -2.157  -4.236
  378    H    LYS  55           HN       LYS  55  -4.964  -1.462   0.952
  379    HA   LYS  55           HA       LYS  55  -7.053  -1.713   2.983
  380   1HB   LYS  55           HB1      LYS  55  -4.144  -1.889   3.658
  381   2HB   LYS  55           HB2      LYS  55  -5.202  -0.993   4.748
  382   1HG   LYS  55           HG1      LYS  55  -6.745  -3.095   4.558
  383   2HG   LYS  55           HG2      LYS  55  -5.285  -3.905   3.991
  384   1HD   LYS  55           HD1      LYS  55  -4.570  -2.369   6.281
  385   2HD   LYS  55           HD2      LYS  55  -6.036  -3.262   6.686
  386   1HE   LYS  55           HE1      LYS  55  -4.662  -5.023   7.064
  387   2HE   LYS  55           HE2      LYS  55  -4.524  -5.133   5.309
  388   1HZ   LYS  55           HZ1      LYS  55  -2.774  -3.433   6.997
  389   2HZ   LYS  55           HZ2      LYS  55  -2.368  -5.006   6.502
  390   3HZ   LYS  55           HZ3      LYS  55  -2.587  -3.779   5.348
  391    H    CYS  56           HN       CYS  56  -6.575   0.396   4.558
  392    HA   CYS  56           HA       CYS  56  -6.458   2.653   2.617
  393   1HB   CYS  56           HB1      CYS  56  -7.312   3.240   5.380
  394   2HB   CYS  56           HB2      CYS  56  -8.076   3.675   3.855
  395    H    CYS  57           HN       CYS  57  -4.952   4.300   2.884
  396    HA   CYS  57           HA       CYS  57  -3.410   4.533   5.359
  397   1HB   CYS  57           HB1      CYS  57  -2.226   2.667   4.352
  398   2HB   CYS  57           HB2      CYS  57  -2.116   3.525   2.816
  399    H    SER  58           HN       SER  58  -2.627   6.593   5.543
  400    HA   SER  58           HA       SER  58  -2.336   8.182   3.062
  401   1HB   SER  58           HB1      SER  58  -3.524  10.083   4.049
  402   2HB   SER  58           HB2      SER  58  -4.581   8.676   4.008
  403    HG   SER  58           HG       SER  58  -4.798   9.135   6.049
  404    H    ALA  59           HN       ALA  59  -0.914   7.046   5.756
  405    HA   ALA  59           HA       ALA  59   1.265   8.964   5.558
  406   1HB   ALA  59           HB2      ALA  59  -0.550   9.003   7.977
  407   2HB   ALA  59           HB1      ALA  59   1.103   9.617   8.020
  408   3HB   ALA  59           HB3      ALA  59  -0.087  10.360   6.950
  409    H    ASP  60           HN       ASP  60   1.063   7.857   8.726
  410    HA   ASP  60           HA       ASP  60   2.848   5.578   8.089
  411   1HB   ASP  60           HB1      ASP  60   3.626   7.251   9.777
  412   2HB   ASP  60           HB2      ASP  60   2.210   6.879  10.761
  413    H    LYS  61           HN       LYS  61   0.039   5.512   7.570
  414    HA   LYS  61           HA       LYS  61  -0.955   3.630   9.630
  415   1HB   LYS  61           HB1      LYS  61  -2.541   5.373   9.344
  416   2HB   LYS  61           HB2      LYS  61  -2.345   5.364   7.592
  417   1HG   LYS  61           HG1      LYS  61  -3.449   3.224   7.413
  418   2HG   LYS  61           HG2      LYS  61  -3.460   3.025   9.166
  419   1HD   LYS  61           HD1      LYS  61  -4.684   5.537   8.547
  420   2HD   LYS  61           HD2      LYS  61  -5.418   4.304   7.522
  421   1HE   LYS  61           HE1      LYS  61  -5.525   2.898   9.724
  422   2HE   LYS  61           HE2      LYS  61  -5.323   4.455  10.528
  423   1HZ   LYS  61           HZ2      LYS  61  -7.224   4.859   8.576
  424   2HZ   LYS  61           HZ3      LYS  61  -7.631   3.370   9.286
  425   3HZ   LYS  61           HZ1      LYS  61  -7.487   4.757  10.252
  426    H    CYS  62           HN       CYS  62   0.583   3.661   6.706
  427    HA   CYS  62           HA       CYS  62  -0.808   1.783   5.122
  428   1HB   CYS  62           HB1      CYS  62   2.113   2.452   5.426
  429   2HB   CYS  62           HB2      CYS  62   1.588   1.174   4.330
  430    H    ASN  63           HN       ASN  63   0.829   1.355   8.120
  431    HA   ASN  63           HA       ASN  63   0.890  -1.592   7.728
  432   1HB   ASN  63           HB1      ASN  63   2.191  -1.513   9.931
  433   2HB   ASN  63           HB2      ASN  63   2.997  -0.810   8.529
  434   1HD2  ASN  63          HD22      ASN  63   2.042   1.539  11.694
  435   2HD2  ASN  63          HD21      ASN  63   1.718  -0.127  11.696
  436    H    THR  64           HN       THR  64  -1.427  -1.836   7.994
  437    HA   THR  64           HA       THR  64  -2.254  -1.660  10.856
  438    HB   THR  64           HB       THR  64  -4.541  -1.249   9.202
  439    HG1  THR  64           HG1      THR  64  -3.035  -0.399   7.702
  440   1HG2  THR  64          HG22      THR  64  -3.944  -0.627  11.633
  441   2HG2  THR  64          HG21      THR  64  -3.139   0.778  10.932
  442   3HG2  THR  64          HG23      THR  64  -4.871   0.545  10.698
  443    H    TYR  65           HN       TYR  65  -1.727  -4.005  10.762
  444    HA   TYR  65           HA       TYR  65  -2.756  -5.874   9.041
  445   1HB   TYR  65           HB1      TYR  65  -1.254  -6.216  11.116
  446   2HB   TYR  65           HB2      TYR  65  -2.768  -6.419  11.995
  447    HD1  TYR  65           HD1      TYR  65  -0.717  -7.741   9.194
  448    HD2  TYR  65           HD2      TYR  65  -4.091  -8.396  11.776
  449    HE1  TYR  65           HE1      TYR  65  -0.882 -10.081   8.386
  450    HE2  TYR  65           HE2      TYR  65  -4.255 -10.736  10.967
  451    HH   TYR  65           HH       TYR  65  -1.844 -12.085   8.741
  452    HA   PRO  66           HA       PRO  66  -6.859  -5.986  11.480
  453   1HB   PRO  66           HB1      PRO  66  -7.310  -3.953  13.279
  454   2HB   PRO  66           HB2      PRO  66  -6.560  -5.500  13.709
  455   1HG   PRO  66           HG1      PRO  66  -5.309  -2.808  13.371
  456   2HG   PRO  66           HG2      PRO  66  -4.770  -4.177  14.357
  457   1HD   PRO  66           HD1      PRO  66  -3.741  -3.395  11.824
  458   2HD   PRO  66           HD2      PRO  66  -3.384  -4.905  12.680
   
  No H/Q in entry =         458
  Start of MODEL   22
    1   1H    ARG   1           HT2      ARG   1   2.147  15.239  -0.556
    2   2H    ARG   1           HT3      ARG   1   2.946  14.971  -2.031
    3   3H    ARG   1           HT1      ARG   1   1.594  14.033  -1.619
    4    HA   ARG   1           HA       ARG   1   3.484  12.684  -1.241
    5   1HB   ARG   1           HB1      ARG   1   4.574  15.251  -0.308
    6   2HB   ARG   1           HB2      ARG   1   4.994  13.882   0.723
    7   1HG   ARG   1           HG1      ARG   1   6.199  12.823  -0.948
    8   2HG   ARG   1           HG2      ARG   1   5.223  13.526  -2.238
    9   1HD   ARG   1           HD1      ARG   1   7.438  14.543  -2.278
   10   2HD   ARG   1           HD2      ARG   1   6.266  15.749  -1.745
   11    HE   ARG   1           HE       ARG   1   8.039  14.263   0.155
   12   1HH1  ARG   1          HH21      ARG   1   7.097  15.380   2.185
   13   2HH1  ARG   1          HH22      ARG   1   7.258  17.104   2.137
   14   1HH2  ARG   1          HH11      ARG   1   7.920  17.213  -1.265
   15   2HH2  ARG   1          HH12      ARG   1   7.724  18.142   0.184
   16    H    GLU   2           HN       GLU   2   1.883  11.452  -0.184
   17    HA   GLU   2           HA       GLU   2   1.739  11.917   2.756
   18   1HB   GLU   2           HB1      GLU   2  -0.493  11.735   0.806
   19   2HB   GLU   2           HB2      GLU   2  -0.699  10.813   2.297
   20   1HG   GLU   2           HG1      GLU   2   0.328  13.277   3.136
   21   2HG   GLU   2           HG2      GLU   2  -0.830  13.694   1.872
   22    H    CYS   3           HN       CYS   3   3.421  10.229   1.317
   23    HA   CYS   3           HA       CYS   3   2.820   7.658   2.591
   24   1HB   CYS   3           HB1      CYS   3   3.425   7.559  -0.355
   25   2HB   CYS   3           HB2      CYS   3   2.730   6.301   0.663
   26    H    TYR   4           HN       TYR   4   4.829   9.545   0.428
   27    HA   TYR   4           HA       TYR   4   7.127   9.525   0.027
   28   1HB   TYR   4           HB1      TYR   4   8.360   9.447   2.402
   29   2HB   TYR   4           HB2      TYR   4   7.454  10.857   1.864
   30    HD1  TYR   4           HD2      TYR   4   4.943  10.985   2.499
   31    HD2  TYR   4           HD1      TYR   4   7.713   8.290   4.382
   32    HE1  TYR   4           HE2      TYR   4   3.395  10.736   4.421
   33    HE2  TYR   4           HE1      TYR   4   6.164   8.043   6.304
   34    HH   TYR   4           HH       TYR   4   3.125   9.894   6.465
   35    H    LEU   5           HN       LEU   5   8.218   7.687   2.705
   36    HA   LEU   5           HA       LEU   5   8.229   5.363   1.009
   37   1HB   LEU   5           HB1      LEU   5  10.778   6.160   2.236
   38   2HB   LEU   5           HB2      LEU   5  10.476   5.013   0.942
   39    HG   LEU   5           HG       LEU   5   9.700   7.867   0.541
   40   1HD1  LEU   5          HD13      LEU   5  12.284   7.226   1.308
   41   2HD1  LEU   5          HD12      LEU   5  12.369   7.214  -0.454
   42   3HD1  LEU   5          HD11      LEU   5  11.813   8.658   0.392
   43   1HD2  LEU   5          HD23      LEU   5   9.762   5.482  -0.983
   44   2HD2  LEU   5          HD21      LEU   5   9.335   7.101  -1.542
   45   3HD2  LEU   5          HD22      LEU   5  11.004   6.541  -1.653
   46    H    ASN   6           HN       ASN   6   6.659   4.868   2.907
   47    HA   ASN   6           HA       ASN   6   7.733   4.298   5.493
   48   1HB   ASN   6           HB1      ASN   6   5.664   3.351   5.918
   49   2HB   ASN   6           HB2      ASN   6   5.235   4.201   4.439
   50   1HD2  ASN   6          HD22      ASN   6   5.289   1.136   2.450
   51   2HD2  ASN   6          HD21      ASN   6   5.750   2.766   2.335
   52    HA   PRO   7           HA       PRO   7   9.940   0.558   4.701
   53   1HB   PRO   7           HB1      PRO   7   8.914  -1.288   6.476
   54   2HB   PRO   7           HB2      PRO   7   9.993   0.039   6.946
   55   1HG   PRO   7           HG1      PRO   7   7.037  -0.243   7.337
   56   2HG   PRO   7           HG2      PRO   7   8.215   0.658   8.306
   57   1HD   PRO   7           HD1      PRO   7   6.432   1.758   6.402
   58   2HD   PRO   7           HD2      PRO   7   7.834   2.586   7.105
   59    H    HIS   8           HN       HIS   8   8.672   0.495   2.534
   60    HA   HIS   8           HA       HIS   8   7.933  -2.111   1.823
   61   1HB   HIS   8           HB1      HIS   8   5.829  -0.660   3.240
   62   2HB   HIS   8           HB2      HIS   8   5.309  -1.198   1.645
   63    HD1  HIS   8           HD1      HIS   8   5.942  -3.858   1.158
   64    HD2  HIS   8           HD2      HIS   8   5.660  -2.654   5.137
   65    HE1  HIS   8           HE1      HIS   8   5.569  -5.960   2.514
   66    H    ASP   9           HN       ASP   9   9.317  -0.212   0.418
   67    HA   ASP   9           HA       ASP   9   9.424   0.600  -1.800
   68   1HB   ASP   9           HB1      ASP   9   7.166  -1.149  -1.788
   69   2HB   ASP   9           HB2      ASP   9   6.735   0.296  -2.704
   70    H    THR  10           HN       THR  10   5.975   1.276  -1.231
   71    HA   THR  10           HA       THR  10   4.876   3.284  -0.740
   72    HB   THR  10           HB       THR  10   7.237   5.056  -0.700
   73    HG1  THR  10           HG1      THR  10   7.071   2.690   0.845
   74   1HG2  THR  10          HG22      THR  10   4.954   5.540   0.195
   75   2HG2  THR  10          HG21      THR  10   5.236   4.317   1.434
   76   3HG2  THR  10          HG23      THR  10   6.254   5.752   1.364
   77    H    GLN  11           HN       GLN  11   4.842   5.660  -1.695
   78    HA   GLN  11           HA       GLN  11   6.039   6.232  -4.191
   79   1HB   GLN  11           HB1      GLN  11   4.845   4.405  -5.167
   80   2HB   GLN  11           HB2      GLN  11   3.369   4.815  -4.293
   81   1HG   GLN  11           HG1      GLN  11   2.729   6.176  -5.967
   82   2HG   GLN  11           HG2      GLN  11   4.226   7.097  -5.819
   83   1HE2  GLN  11          HE22      GLN  11   3.776   4.462  -8.869
   84   2HE2  GLN  11          HE21      GLN  11   2.535   4.737  -7.744
   85    H    THR  12           HN       THR  12   6.059   8.255  -3.042
   86    HA   THR  12           HA       THR  12   4.106   9.674  -1.796
   87    HB   THR  12           HB       THR  12   5.214  11.677  -2.414
   88    HG1  THR  12           HG1      THR  12   6.673  11.481  -4.345
   89   1HG2  THR  12          HG22      THR  12   6.667   9.376  -1.732
   90   2HG2  THR  12          HG21      THR  12   7.612  10.160  -2.997
   91   3HG2  THR  12          HG23      THR  12   7.185  11.048  -1.534
   92    H    CYS  13           HN       CYS  13   2.488  11.200  -2.438
   93    HA   CYS  13           HA       CYS  13   1.495  10.920  -5.236
   94   1HB   CYS  13           HB1      CYS  13   0.073   9.470  -3.946
   95   2HB   CYS  13           HB2      CYS  13  -0.081  10.668  -2.661
   96    HA   PRO  14           HA       PRO  14   1.780  15.317  -3.807
   97   1HB   PRO  14           HB1      PRO  14   3.433  16.130  -5.853
   98   2HB   PRO  14           HB2      PRO  14   4.019  15.521  -4.296
   99   1HG   PRO  14           HG1      PRO  14   3.961  14.174  -6.966
  100   2HG   PRO  14           HG2      PRO  14   5.059  13.907  -5.602
  101   1HD   PRO  14           HD1      PRO  14   2.836  12.288  -6.320
  102   2HD   PRO  14           HD2      PRO  14   3.741  12.205  -4.793
  103    H    SER  15           HN       SER  15   0.982  13.673  -6.766
  104    HA   SER  15           HA       SER  15  -0.849  15.918  -7.467
  105   1HB   SER  15           HB1      SER  15   1.108  14.510  -9.291
  106   2HB   SER  15           HB2      SER  15  -0.301  15.361  -9.915
  107    HG   SER  15           HG       SER  15   1.258  16.709  -8.059
  108    H    GLY  16           HN       GLY  16  -2.641  15.172  -8.901
  109   1HA   GLY  16           HA1      GLY  16  -4.014  13.411  -9.826
  110   2HA   GLY  16           HA2      GLY  16  -3.070  12.235  -8.911
  111    H    GLN  17           HN       GLN  17  -3.786  11.665  -6.868
  112    HA   GLN  17           HA       GLN  17  -6.286  13.012  -5.936
  113   1HB   GLN  17           HB1      GLN  17  -5.261  10.222  -5.323
  114   2HB   GLN  17           HB2      GLN  17  -6.797  10.901  -4.782
  115   1HG   GLN  17           HG1      GLN  17  -6.281  11.045  -7.699
  116   2HG   GLN  17           HG2      GLN  17  -6.533   9.426  -7.047
  117   1HE2  GLN  17          HE22      GLN  17  -9.929  10.591  -7.810
  118   2HE2  GLN  17          HE21      GLN  17  -8.560  10.024  -8.639
  119    H    GLU  18           HN       GLU  18  -6.181  11.864  -3.300
  120    HA   GLU  18           HA       GLU  18  -3.681  13.020  -2.169
  121   1HB   GLU  18           HB1      GLU  18  -4.898  14.341  -0.562
  122   2HB   GLU  18           HB2      GLU  18  -5.545  14.731  -2.157
  123   1HG   GLU  18           HG1      GLU  18  -7.594  14.062  -1.507
  124   2HG   GLU  18           HG2      GLU  18  -6.963  12.465  -1.103
  125    H    ILE  19           HN       ILE  19  -5.534  10.365  -2.407
  126    HA   ILE  19           HA       ILE  19  -5.275   9.586   0.460
  127    HB   ILE  19           HB       ILE  19  -6.608   7.999  -1.723
  128   1HG1  ILE  19          HG11      ILE  19  -7.364  10.589  -0.982
  129   2HG1  ILE  19          HG12      ILE  19  -8.380   9.410  -1.795
  130   1HG2  ILE  19          HG21      ILE  19  -6.739   8.065   1.295
  131   2HG2  ILE  19          HG22      ILE  19  -7.958   7.242   0.322
  132   3HG2  ILE  19          HG23      ILE  19  -6.275   6.720   0.253
  133   1HD1  ILE  19          HD12      ILE  19  -8.144   9.700   1.215
  134   2HD1  ILE  19          HD13      ILE  19  -9.460  10.355   0.241
  135   3HD1  ILE  19          HD11      ILE  19  -9.232   8.611   0.356
  136    H    CYS  20           HN       CYS  20  -4.374   7.496   0.912
  137    HA   CYS  20           HA       CYS  20  -2.437   6.555  -1.168
  138   1HB   CYS  20           HB1      CYS  20  -1.580   7.864   0.984
  139   2HB   CYS  20           HB2      CYS  20  -1.802   6.293   1.752
  140    H    TYR  21           HN       TYR  21  -2.971   4.475  -1.736
  141    HA   TYR  21           HA       TYR  21  -4.443   2.865   0.289
  142   1HB   TYR  21           HB1      TYR  21  -5.276   1.537  -1.464
  143   2HB   TYR  21           HB2      TYR  21  -5.238   3.144  -2.184
  144    HD1  TYR  21           HD2      TYR  21  -3.209   0.016  -1.828
  145    HD2  TYR  21           HD1      TYR  21  -4.018   3.535  -4.150
  146    HE1  TYR  21           HE2      TYR  21  -1.687  -0.806  -3.605
  147    HE2  TYR  21           HE1      TYR  21  -2.496   2.714  -5.929
  148    HH   TYR  21           HH       TYR  21  -1.335   0.932  -6.671
  149    H    VAL  22           HN       VAL  22  -3.671   0.704   0.766
  150    HA   VAL  22           HA       VAL  22  -0.767   0.403   0.149
  151    HB   VAL  22           HB       VAL  22  -0.413  -0.501   2.347
  152   1HG1  VAL  22          HG12      VAL  22  -1.044   2.094   1.935
  153   2HG1  VAL  22          HG11      VAL  22  -2.307   1.673   3.090
  154   3HG1  VAL  22          HG13      VAL  22  -0.612   1.463   3.522
  155   1HG2  VAL  22          HG23      VAL  22  -3.416  -0.592   2.397
  156   2HG2  VAL  22          HG22      VAL  22  -2.261  -1.864   2.794
  157   3HG2  VAL  22          HG21      VAL  22  -2.508  -0.519   3.907
  158    H    LYS  23           HN       LYS  23  -0.659  -1.189  -1.375
  159    HA   LYS  23           HA       LYS  23  -2.464  -3.545  -1.043
  160   1HB   LYS  23           HB1      LYS  23  -2.569  -2.399  -3.237
  161   2HB   LYS  23           HB2      LYS  23  -0.839  -2.669  -3.453
  162   1HG   LYS  23           HG1      LYS  23  -1.157  -4.830  -4.065
  163   2HG   LYS  23           HG2      LYS  23  -2.312  -5.112  -2.761
  164   1HD   LYS  23           HD1      LYS  23  -3.942  -5.093  -4.323
  165   2HD   LYS  23           HD2      LYS  23  -3.621  -3.372  -4.539
  166   1HE   LYS  23           HE1      LYS  23  -1.720  -4.127  -6.121
  167   2HE   LYS  23           HE2      LYS  23  -2.513  -5.702  -6.108
  168   1HZ   LYS  23           HZ2      LYS  23  -4.579  -4.562  -6.785
  169   2HZ   LYS  23           HZ3      LYS  23  -3.705  -3.115  -6.942
  170   3HZ   LYS  23           HZ1      LYS  23  -3.340  -4.436  -7.940
  171    H    SER  24           HN       SER  24  -1.563  -5.468  -0.436
  172    HA   SER  24           HA       SER  24   1.397  -5.715  -0.704
  173   1HB   SER  24           HB1      SER  24  -0.338  -6.105   1.714
  174   2HB   SER  24           HB2      SER  24   1.123  -7.074   1.537
  175    HG   SER  24           HG       SER  24   0.846  -4.342   1.934
  176    H    TRP  25           HN       TRP  25   1.764  -7.394  -2.057
  177    HA   TRP  25           HA       TRP  25   0.179  -9.899  -1.628
  178   1HB   TRP  25           HB1      TRP  25  -0.019 -10.190  -4.055
  179   2HB   TRP  25           HB2      TRP  25  -0.739  -8.650  -3.576
  180    HD1  TRP  25           HD1      TRP  25   1.983 -10.093  -5.710
  181    HE1  TRP  25           HE1      TRP  25   3.286  -8.160  -6.829
  182    HE3  TRP  25           HE3      TRP  25   0.126  -6.226  -3.052
  183    HZ2  TRP  25           HZ2      TRP  25   3.499  -5.288  -6.574
  184    HZ3  TRP  25           HZ3      TRP  25   0.870  -3.946  -3.447
  185    HH2  TRP  25           HH2      TRP  25   2.557  -3.430  -5.208
  186    H    CYS  26           HN       CYS  26   1.357 -11.805  -2.015
  187    HA   CYS  26           HA       CYS  26   4.295 -11.418  -2.346
  188   1HB   CYS  26           HB1      CYS  26   2.847 -12.904  -0.497
  189   2HB   CYS  26           HB2      CYS  26   3.379 -14.115  -1.663
  190    H    ASN  27           HN       ASN  27   5.059 -13.864  -3.249
  191    HA   ASN  27           HA       ASN  27   3.647 -14.128  -5.872
  192   1HB   ASN  27           HB1      ASN  27   6.435 -13.634  -5.249
  193   2HB   ASN  27           HB2      ASN  27   6.264 -15.147  -6.139
  194   1HD2  ASN  27          HD22      ASN  27   5.152 -13.555  -9.135
  195   2HD2  ASN  27          HD21      ASN  27   5.229 -15.030  -8.297
  196    H    ALA  28           HN       ALA  28   4.196 -16.419  -6.848
  197    HA   ALA  28           HA       ALA  28   3.277 -18.371  -4.938
  198   1HB   ALA  28           HB2      ALA  28   3.837 -18.288  -7.814
  199   2HB   ALA  28           HB1      ALA  28   4.188 -19.847  -7.070
  200   3HB   ALA  28           HB3      ALA  28   2.571 -19.155  -6.945
  201    H    TRP  29           HN       TRP  29   6.288 -17.116  -5.537
  202    HA   TRP  29           HA       TRP  29   7.570 -19.389  -4.120
  203   1HB   TRP  29           HB1      TRP  29   8.638 -18.028  -6.583
  204   2HB   TRP  29           HB2      TRP  29   9.508 -19.188  -5.618
  205    HD1  TRP  29           HD1      TRP  29   6.007 -19.105  -7.345
  206    HE1  TRP  29           HE1      TRP  29   5.647 -21.435  -8.410
  207    HE3  TRP  29           HE3      TRP  29  10.312 -21.321  -5.938
  208    HZ2  TRP  29           HZ2      TRP  29   7.055 -23.943  -8.624
  209    HZ3  TRP  29           HZ3      TRP  29  10.826 -23.685  -6.563
  210    HH2  TRP  29           HH2      TRP  29   9.193 -24.994  -7.906
  211    H    CYS  30           HN       CYS  30   6.722 -16.472  -3.512
  212    HA   CYS  30           HA       CYS  30   9.179 -14.988  -3.185
  213   1HB   CYS  30           HB1      CYS  30   7.891 -13.408  -1.935
  214   2HB   CYS  30           HB2      CYS  30   6.902 -13.962  -3.282
  215    H    SER  31           HN       SER  31   8.998 -17.763  -1.824
  216    HA   SER  31           HA       SER  31   8.850 -17.617   0.945
  217   1HB   SER  31           HB1      SER  31   9.458 -19.669  -0.380
  218   2HB   SER  31           HB2      SER  31  11.081 -19.013  -0.564
  219    HG   SER  31           HG       SER  31  10.647 -20.490   1.283
  220    H    SER  32           HN       SER  32   9.478 -15.556   1.698
  221    HA   SER  32           HA       SER  32  10.939 -13.785   2.215
  222   1HB   SER  32           HB1      SER  32  13.112 -15.757   2.654
  223   2HB   SER  32           HB2      SER  32  12.548 -14.457   3.697
  224    HG   SER  32           HG       SER  32  11.848 -17.044   3.719
  225    H    ARG  33           HN       ARG  33  10.988 -13.228  -0.058
  226    HA   ARG  33           HA       ARG  33  13.773 -13.383  -1.101
  227   1HB   ARG  33           HB1      ARG  33  12.421 -15.085  -2.293
  228   2HB   ARG  33           HB2      ARG  33  11.292 -13.826  -2.792
  229   1HG   ARG  33           HG1      ARG  33  12.616 -13.548  -4.607
  230   2HG   ARG  33           HG2      ARG  33  13.791 -12.815  -3.512
  231   1HD   ARG  33           HD1      ARG  33  14.903 -14.927  -3.179
  232   2HD   ARG  33           HD2      ARG  33  13.619 -15.799  -4.016
  233    HE   ARG  33           HE       ARG  33  15.337 -13.822  -5.458
  234   1HH1  ARG  33          HH21      ARG  33  12.952 -15.482  -6.584
  235   2HH1  ARG  33          HH22      ARG  33  13.821 -16.690  -7.469
  236   1HH2  ARG  33          HH11      ARG  33  16.861 -15.995  -5.952
  237   2HH2  ARG  33          HH12      ARG  33  16.034 -16.981  -7.113
  238    H    GLY  34           HN       GLY  34  11.384 -12.045  -3.208
  239   1HA   GLY  34           HA1      GLY  34  12.039  -9.309  -2.204
  240   2HA   GLY  34           HA2      GLY  34  12.096  -9.693  -3.925
  241    H    LYS  35           HN       LYS  35   9.795 -10.160  -1.214
  242    HA   LYS  35           HA       LYS  35   7.427 -10.326  -2.660
  243   1HB   LYS  35           HB1      LYS  35   7.786  -8.751  -0.094
  244   2HB   LYS  35           HB2      LYS  35   6.283  -9.457  -0.688
  245   1HG   LYS  35           HG1      LYS  35   7.343 -11.713  -0.565
  246   2HG   LYS  35           HG2      LYS  35   8.788 -10.970   0.121
  247   1HD   LYS  35           HD1      LYS  35   6.754  -9.951   1.702
  248   2HD   LYS  35           HD2      LYS  35   6.227 -11.607   1.400
  249   1HE   LYS  35           HE1      LYS  35   9.068 -11.012   2.219
  250   2HE   LYS  35           HE2      LYS  35   7.795 -11.169   3.429
  251   1HZ   LYS  35           HZ2      LYS  35   7.307 -13.318   1.977
  252   2HZ   LYS  35           HZ3      LYS  35   8.978 -13.192   1.702
  253   3HZ   LYS  35           HZ1      LYS  35   8.389 -13.328   3.287
  254    H    VAL  36           HN       VAL  36   5.881  -8.751  -3.398
  255    HA   VAL  36           HA       VAL  36   7.111  -6.092  -3.995
  256    HB   VAL  36           HB       VAL  36   4.707  -6.761  -5.516
  257   1HG1  VAL  36          HG12      VAL  36   7.535  -5.882  -6.064
  258   2HG1  VAL  36          HG11      VAL  36   6.460  -6.329  -7.389
  259   3HG1  VAL  36          HG13      VAL  36   6.033  -4.993  -6.320
  260   1HG2  VAL  36          HG23      VAL  36   7.127  -8.578  -5.746
  261   2HG2  VAL  36          HG21      VAL  36   5.493  -9.062  -5.293
  262   3HG2  VAL  36          HG22      VAL  36   5.822  -8.495  -6.931
  263    H    LEU  37           HN       LEU  37   6.342  -5.484  -1.770
  264    HA   LEU  37           HA       LEU  37   3.407  -5.020  -1.683
  265   1HB   LEU  37           HB1      LEU  37   5.532  -5.507   0.382
  266   2HB   LEU  37           HB2      LEU  37   4.042  -4.686   0.827
  267    HG   LEU  37           HG       LEU  37   2.717  -6.556   0.229
  268   1HD1  LEU  37          HD11      LEU  37   5.178  -7.505  -1.238
  269   2HD1  LEU  37          HD13      LEU  37   3.835  -8.589  -0.879
  270   3HD1  LEU  37          HD12      LEU  37   3.580  -7.177  -1.902
  271   1HD2  LEU  37          HD22      LEU  37   5.275  -7.572   1.461
  272   2HD2  LEU  37          HD23      LEU  37   3.875  -6.932   2.321
  273   3HD2  LEU  37          HD21      LEU  37   3.751  -8.459   1.446
  274    H    GLU  38           HN       GLU  38   3.146  -2.961  -2.562
  275    HA   GLU  38           HA       GLU  38   4.640  -0.771  -1.189
  276   1HB   GLU  38           HB1      GLU  38   4.783   0.443  -3.340
  277   2HB   GLU  38           HB2      GLU  38   5.650  -1.092  -3.406
  278   1HG   GLU  38           HG1      GLU  38   3.085  -1.797  -4.175
  279   2HG   GLU  38           HG2      GLU  38   3.295  -0.209  -4.915
  280    H    PHE  39           HN       PHE  39   3.532   1.353  -1.454
  281    HA   PHE  39           HA       PHE  39   0.593   1.028  -1.697
  282   1HB   PHE  39           HB1      PHE  39   1.902   2.984   0.183
  283   2HB   PHE  39           HB2      PHE  39   0.258   2.349   0.234
  284    HD1  PHE  39           HD2      PHE  39   0.765  -0.548  -0.219
  285    HD2  PHE  39           HD1      PHE  39   2.844   2.286   2.253
  286    HE1  PHE  39           HE2      PHE  39   1.531  -2.394   1.246
  287    HE2  PHE  39           HE1      PHE  39   3.611   0.435   3.718
  288    HZ   PHE  39           HZ       PHE  39   2.957  -1.905   3.215
  289    H    GLY  40           HN       GLY  40  -0.472   2.728  -2.817
  290   1HA   GLY  40           HA1      GLY  40   1.345   4.852  -3.890
  291   2HA   GLY  40           HA2      GLY  40   0.182   4.024  -4.922
  292    H    CYS  41           HN       CYS  41  -0.952   5.954  -5.422
  293    HA   CYS  41           HA       CYS  41  -2.207   7.409  -3.168
  294   1HB   CYS  41           HB1      CYS  41  -0.991   8.510  -5.185
  295   2HB   CYS  41           HB2      CYS  41  -2.449   8.138  -6.079
  296    H    ALA  42           HN       ALA  42  -4.502   8.156  -3.859
  297    HA   ALA  42           HA       ALA  42  -6.162   6.583  -5.535
  298   1HB   ALA  42           HB1      ALA  42  -5.378   5.256  -3.114
  299   2HB   ALA  42           HB3      ALA  42  -7.106   5.602  -3.043
  300   3HB   ALA  42           HB2      ALA  42  -6.447   4.672  -4.389
  301    H    ALA  43           HN       ALA  43  -8.527   6.606  -4.476
  302    HA   ALA  43           HA       ALA  43  -8.958   9.397  -3.549
  303   1HB   ALA  43           HB3      ALA  43 -10.551   7.531  -5.285
  304   2HB   ALA  43           HB2      ALA  43 -11.355   8.853  -4.439
  305   3HB   ALA  43           HB1      ALA  43 -10.073   9.198  -5.601
  306    H    THR  44           HN       THR  44 -10.119   6.044  -3.143
  307    HA   THR  44           HA       THR  44 -10.753   6.700  -0.324
  308    HB   THR  44           HB       THR  44 -12.863   7.012  -1.603
  309    HG1  THR  44           HG1      THR  44 -12.714   5.986   0.553
  310   1HG2  THR  44          HG23      THR  44 -11.933   4.562  -2.848
  311   2HG2  THR  44          HG22      THR  44 -13.576   4.377  -2.235
  312   3HG2  THR  44          HG21      THR  44 -13.201   5.668  -3.377
  313    H    CYS  45           HN       CYS  45 -10.582   4.886   1.042
  314    HA   CYS  45           HA       CYS  45  -8.763   2.965   0.655
  315   1HB   CYS  45           HB1      CYS  45 -10.108   3.451   2.735
  316   2HB   CYS  45           HB2      CYS  45 -11.359   2.407   2.071
  317    HA   PRO  46           HA       PRO  46 -10.667   0.431  -2.510
  318   1HB   PRO  46           HB1      PRO  46  -8.485  -1.209  -2.891
  319   2HB   PRO  46           HB2      PRO  46  -8.644   0.406  -3.599
  320   1HG   PRO  46           HG1      PRO  46  -6.891  -0.509  -1.395
  321   2HG   PRO  46           HG2      PRO  46  -6.758   0.937  -2.399
  322   1HD   PRO  46           HD1      PRO  46  -7.783   0.727   0.291
  323   2HD   PRO  46           HD2      PRO  46  -7.668   2.184  -0.718
  324    H    SER  47           HN       SER  47 -11.936  -1.380  -2.268
  325    HA   SER  47           HA       SER  47 -11.305  -3.206   0.012
  326   1HB   SER  47           HB1      SER  47 -13.938  -2.641  -1.385
  327   2HB   SER  47           HB2      SER  47 -13.724  -3.794  -0.071
  328    HG   SER  47           HG       SER  47 -13.346  -2.203   1.328
  329    H    VAL  48           HN       VAL  48  -9.932  -3.580  -2.421
  330    HA   VAL  48           HA       VAL  48 -11.335  -5.861  -3.707
  331    HB   VAL  48           HB       VAL  48  -8.798  -4.554  -4.588
  332   1HG1  VAL  48          HG12      VAL  48 -10.375  -6.785  -5.486
  333   2HG1  VAL  48          HG11      VAL  48 -10.352  -5.536  -6.732
  334   3HG1  VAL  48          HG13      VAL  48  -8.837  -6.201  -6.120
  335   1HG2  VAL  48          HG23      VAL  48 -11.231  -3.270  -4.423
  336   2HG2  VAL  48          HG22      VAL  48  -9.937  -2.839  -5.542
  337   3HG2  VAL  48          HG21      VAL  48 -11.243  -3.902  -6.069
  338    H    ASN  49           HN       ASN  49 -10.657  -6.742  -1.350
  339    HA   ASN  49           HA       ASN  49  -7.902  -7.664  -1.243
  340   1HB   ASN  49           HB1      ASN  49  -8.965  -7.050   0.847
  341   2HB   ASN  49           HB2      ASN  49 -10.287  -8.177   0.544
  342   1HD2  ASN  49          HD22      ASN  49  -8.522 -10.950   1.817
  343   2HD2  ASN  49          HD21      ASN  49  -9.983 -10.341   1.208
  344    H    THR  50           HN       THR  50  -8.709  -8.729  -3.539
  345    HA   THR  50           HA       THR  50 -10.104 -11.262  -3.250
  346    HB   THR  50           HB       THR  50 -10.211 -10.397  -5.435
  347    HG1  THR  50           HG1      THR  50  -9.578 -12.130  -6.414
  348   1HG2  THR  50          HG21      THR  50  -7.351  -9.672  -4.940
  349   2HG2  THR  50          HG23      THR  50  -7.883  -9.901  -6.606
  350   3HG2  THR  50          HG22      THR  50  -8.662  -8.687  -5.591
  351    H    GLY  51           HN       GLY  51  -7.072 -11.550  -4.910
  352   1HA   GLY  51           HA1      GLY  51  -6.157 -13.446  -2.819
  353   2HA   GLY  51           HA2      GLY  51  -5.508 -13.331  -4.462
  354    H    THR  52           HN       THR  52  -6.151 -10.385  -2.833
  355    HA   THR  52           HA       THR  52  -3.274 -10.044  -2.111
  356    HB   THR  52           HB       THR  52  -5.125  -8.182  -3.630
  357    HG1  THR  52           HG1      THR  52  -2.493  -8.996  -4.258
  358   1HG2  THR  52          HG21      THR  52  -2.459  -7.636  -2.294
  359   2HG2  THR  52          HG23      THR  52  -3.146  -6.598  -3.543
  360   3HG2  THR  52          HG22      THR  52  -3.991  -6.809  -2.011
  361    H    GLU  53           HN       GLU  53  -3.037  -8.101  -0.578
  362    HA   GLU  53           HA       GLU  53  -5.469  -7.859   1.131
  363   1HB   GLU  53           HB1      GLU  53  -4.017  -7.790   3.097
  364   2HB   GLU  53           HB2      GLU  53  -3.699  -9.265   2.184
  365   1HG   GLU  53           HG1      GLU  53  -1.988  -7.362   1.055
  366   2HG   GLU  53           HG2      GLU  53  -1.913  -7.043   2.787
  367    H    ILE  54           HN       ILE  54  -6.117  -5.831   0.306
  368    HA   ILE  54           HA       ILE  54  -4.087  -3.663   0.416
  369    HB   ILE  54           HB       ILE  54  -5.722  -4.155  -1.614
  370   1HG1  ILE  54          HG11      ILE  54  -5.375  -1.309  -0.669
  371   2HG1  ILE  54          HG12      ILE  54  -4.028  -2.279  -1.264
  372   1HG2  ILE  54          HG21      ILE  54  -7.608  -3.493   0.334
  373   2HG2  ILE  54          HG22      ILE  54  -7.448  -2.030  -0.642
  374   3HG2  ILE  54          HG23      ILE  54  -7.878  -3.559  -1.405
  375   1HD1  ILE  54          HD11      ILE  54  -6.582  -1.799  -2.826
  376   2HD1  ILE  54          HD12      ILE  54  -5.110  -0.851  -3.034
  377   3HD1  ILE  54          HD13      ILE  54  -5.110  -2.573  -3.413
  378    H    LYS  55           HN       LYS  55  -4.872  -1.537   1.334
  379    HA   LYS  55           HA       LYS  55  -7.082  -1.708   3.256
  380   1HB   LYS  55           HB1      LYS  55  -4.200  -1.783   4.087
  381   2HB   LYS  55           HB2      LYS  55  -5.362  -0.921   5.096
  382   1HG   LYS  55           HG1      LYS  55  -6.736  -3.218   4.631
  383   2HG   LYS  55           HG2      LYS  55  -5.083  -3.831   4.581
  384   1HD   LYS  55           HD1      LYS  55  -4.904  -3.667   6.823
  385   2HD   LYS  55           HD2      LYS  55  -5.400  -1.976   6.780
  386   1HE   LYS  55           HE1      LYS  55  -7.251  -2.715   7.878
  387   2HE   LYS  55           HE2      LYS  55  -7.774  -3.270   6.287
  388   1HZ   LYS  55           HZ3      LYS  55  -6.149  -4.905   8.154
  389   2HZ   LYS  55           HZ1      LYS  55  -7.840  -4.998   8.048
  390   3HZ   LYS  55           HZ2      LYS  55  -6.881  -5.416   6.708
  391    H    CYS  56           HN       CYS  56  -6.663   0.470   4.770
  392    HA   CYS  56           HA       CYS  56  -6.475   2.643   2.741
  393   1HB   CYS  56           HB1      CYS  56  -7.446   3.285   5.468
  394   2HB   CYS  56           HB2      CYS  56  -8.101   3.760   3.903
  395    H    CYS  57           HN       CYS  57  -5.069   4.400   3.085
  396    HA   CYS  57           HA       CYS  57  -3.560   4.662   5.568
  397   1HB   CYS  57           HB1      CYS  57  -2.316   2.808   4.674
  398   2HB   CYS  57           HB2      CYS  57  -2.253   3.546   3.075
  399    H    SER  58           HN       SER  58  -2.401   6.635   5.621
  400    HA   SER  58           HA       SER  58  -2.401   8.239   3.145
  401   1HB   SER  58           HB1      SER  58  -3.610  10.061   4.032
  402   2HB   SER  58           HB2      SER  58  -4.530   8.651   4.553
  403    HG   SER  58           HG       SER  58  -4.256   9.468   6.461
  404    H    ALA  59           HN       ALA  59  -0.770   7.156   5.789
  405    HA   ALA  59           HA       ALA  59   1.427   9.003   5.290
  406   1HB   ALA  59           HB1      ALA  59  -0.173   9.216   7.846
  407   2HB   ALA  59           HB3      ALA  59   1.499   9.765   7.735
  408   3HB   ALA  59           HB2      ALA  59   0.259  10.506   6.723
  409    H    ASP  60           HN       ASP  60   1.486   8.045   8.520
  410    HA   ASP  60           HA       ASP  60   3.195   5.724   7.826
  411   1HB   ASP  60           HB1      ASP  60   3.999   7.556   9.422
  412   2HB   ASP  60           HB2      ASP  60   2.781   6.975  10.558
  413    H    LYS  61           HN       LYS  61   0.340   5.672   7.557
  414    HA   LYS  61           HA       LYS  61  -0.453   3.830   9.738
  415   1HB   LYS  61           HB1      LYS  61  -2.055   5.574   9.615
  416   2HB   LYS  61           HB2      LYS  61  -2.040   5.565   7.851
  417   1HG   LYS  61           HG1      LYS  61  -3.145   3.407   7.798
  418   2HG   LYS  61           HG2      LYS  61  -3.014   3.249   9.550
  419   1HD   LYS  61           HD1      LYS  61  -4.271   5.720   9.153
  420   2HD   LYS  61           HD2      LYS  61  -5.019   4.646   7.969
  421   1HE   LYS  61           HE1      LYS  61  -6.009   3.363   9.578
  422   2HE   LYS  61           HE2      LYS  61  -4.625   3.483  10.664
  423   1HZ   LYS  61           HZ2      LYS  61  -5.837   6.016  10.342
  424   2HZ   LYS  61           HZ3      LYS  61  -7.007   4.880  10.819
  425   3HZ   LYS  61           HZ1      LYS  61  -5.617   5.110  11.762
  426    H    CYS  62           HN       CYS  62   0.772   3.818   6.671
  427    HA   CYS  62           HA       CYS  62  -0.815   1.928   5.283
  428   1HB   CYS  62           HB1      CYS  62   2.152   2.508   5.211
  429   2HB   CYS  62           HB2      CYS  62   1.394   1.332   4.141
  430    H    ASN  63           HN       ASN  63   1.624   1.513   7.791
  431    HA   ASN  63           HA       ASN  63   1.331  -1.431   7.590
  432   1HB   ASN  63           HB1      ASN  63   3.188  -1.315   9.400
  433   2HB   ASN  63           HB2      ASN  63   3.615  -0.870   7.748
  434   1HD2  ASN  63          HD22      ASN  63   4.761   2.256   8.882
  435   2HD2  ASN  63          HD21      ASN  63   5.010   0.902   7.889
  436    H    THR  64           HN       THR  64   0.260   1.258   9.450
  437    HA   THR  64           HA       THR  64  -1.001   1.392  11.426
  438    HB   THR  64           HB       THR  64  -2.093  -1.179  11.659
  439    HG1  THR  64           HG1      THR  64  -2.023  -1.993   9.738
  440   1HG2  THR  64          HG21      THR  64  -3.178   1.049  11.861
  441   2HG2  THR  64          HG23      THR  64  -3.080   1.225  10.109
  442   3HG2  THR  64          HG22      THR  64  -4.078  -0.048  10.813
  443    H    TYR  65           HN       TYR  65   0.508   1.518  13.096
  444    HA   TYR  65           HA       TYR  65   2.313  -0.368  13.934
  445   1HB   TYR  65           HB1      TYR  65   1.922   2.033  14.816
  446   2HB   TYR  65           HB2      TYR  65   0.831   1.270  15.971
  447    HD1  TYR  65           HD2      TYR  65   4.124   0.232  14.502
  448    HD2  TYR  65           HD1      TYR  65   1.863   1.097  18.053
  449    HE1  TYR  65           HE2      TYR  65   6.062  -0.438  15.899
  450    HE2  TYR  65           HE1      TYR  65   3.802   0.428  19.451
  451    HH   TYR  65           HH       TYR  65   5.893  -0.301  19.463
  452    HA   PRO  66           HA       PRO  66  -0.975  -2.382  16.752
  453   1HB   PRO  66           HB1      PRO  66  -3.599  -1.668  16.333
  454   2HB   PRO  66           HB2      PRO  66  -2.533  -0.860  17.495
  455   1HG   PRO  66           HG1      PRO  66  -3.491   0.076  14.825
  456   2HG   PRO  66           HG2      PRO  66  -2.975   1.028  16.227
  457   1HD   PRO  66           HD1      PRO  66  -1.449   0.472  13.891
  458   2HD   PRO  66           HD2      PRO  66  -0.847   1.200  15.391
   
  No H/Q in entry =         458
  Start of MODEL   23
    1   1H    ARG   1           HT1      ARG   1   2.246  14.865   0.018
    2   2H    ARG   1           HT2      ARG   1   2.702  14.811  -1.616
    3   3H    ARG   1           HT3      ARG   1   1.317  13.979  -1.090
    4    HA   ARG   1           HA       ARG   1   3.002  12.365  -1.377
    5   1HB   ARG   1           HB1      ARG   1   4.644  14.465  -0.019
    6   2HB   ARG   1           HB2      ARG   1   5.092  12.775   0.212
    7   1HG   ARG   1           HG1      ARG   1   5.980  12.678  -1.856
    8   2HG   ARG   1           HG2      ARG   1   4.484  13.276  -2.572
    9   1HD   ARG   1           HD1      ARG   1   5.161  15.593  -2.031
   10   2HD   ARG   1           HD2      ARG   1   6.660  14.988  -1.327
   11    HE   ARG   1           HE       ARG   1   5.977  14.894  -4.229
   12   1HH1  ARG   1          HH11      ARG   1   8.051  13.763  -1.777
   13   2HH1  ARG   1          HH12      ARG   1   9.507  14.012  -2.681
   14   1HH2  ARG   1          HH21      ARG   1   7.906  15.561  -5.338
   15   2HH2  ARG   1          HH22      ARG   1   9.425  15.031  -4.698
   16    H    GLU   2           HN       GLU   2   1.481  11.120  -0.218
   17    HA   GLU   2           HA       GLU   2   1.926  11.066   2.735
   18   1HB   GLU   2           HB1      GLU   2  -0.621  10.296   2.690
   19   2HB   GLU   2           HB2      GLU   2  -0.189  12.004   2.751
   20   1HG   GLU   2           HG1      GLU   2  -0.445  12.195   0.334
   21   2HG   GLU   2           HG2      GLU   2  -0.735  10.461   0.195
   22    H    CYS   3           HN       CYS   3   3.419   9.354   1.470
   23    HA   CYS   3           HA       CYS   3   2.128   6.755   1.954
   24   1HB   CYS   3           HB1      CYS   3   3.475   7.330  -0.695
   25   2HB   CYS   3           HB2      CYS   3   2.697   5.823  -0.211
   26    H    TYR   4           HN       TYR   4   5.013   8.553   1.067
   27    HA   TYR   4           HA       TYR   4   7.221   7.060   1.194
   28   1HB   TYR   4           HB1      TYR   4   7.961   8.634   3.227
   29   2HB   TYR   4           HB2      TYR   4   7.804   9.236   1.578
   30    HD1  TYR   4           HD2      TYR   4   5.092   8.277   3.969
   31    HD2  TYR   4           HD1      TYR   4   7.049  11.490   1.892
   32    HE1  TYR   4           HE2      TYR   4   3.332   9.841   4.736
   33    HE2  TYR   4           HE1      TYR   4   5.285  13.056   2.660
   34    HH   TYR   4           HH       TYR   4   2.938  12.147   5.054
   35    H    LEU   5           HN       LEU   5   6.618   4.932   2.188
   36    HA   LEU   5           HA       LEU   5   7.185   4.972   5.018
   37   1HB   LEU   5           HB1      LEU   5   4.652   3.982   3.828
   38   2HB   LEU   5           HB2      LEU   5   5.157   3.546   5.447
   39    HG   LEU   5           HG       LEU   5   4.869   6.415   4.456
   40   1HD1  LEU   5          HD11      LEU   5   2.831   4.548   5.079
   41   2HD1  LEU   5          HD13      LEU   5   2.958   5.621   6.473
   42   3HD1  LEU   5          HD12      LEU   5   2.661   6.290   4.868
   43   1HD2  LEU   5          HD22      LEU   5   5.999   5.172   6.818
   44   2HD2  LEU   5          HD23      LEU   5   5.972   6.877   6.368
   45   3HD2  LEU   5          HD21      LEU   5   4.623   6.181   7.265
   46    H    ASN   6           HN       ASN   6   5.574   2.256   3.599
   47    HA   ASN   6           HA       ASN   6   7.231   0.244   4.352
   48   1HB   ASN   6           HB1      ASN   6   6.608  -0.988   2.269
   49   2HB   ASN   6           HB2      ASN   6   5.229  -0.206   3.041
   50   1HD2  ASN   6          HD22      ASN   6   6.329   0.904  -0.697
   51   2HD2  ASN   6          HD21      ASN   6   7.128  -0.342   0.131
   52    HA   PRO   7           HA       PRO   7  11.151   0.907   2.492
   53   1HB   PRO   7           HB1      PRO   7  12.128  -1.651   2.791
   54   2HB   PRO   7           HB2      PRO   7  12.020  -0.476   4.113
   55   1HG   PRO   7           HG1      PRO   7  10.301  -2.858   3.537
   56   2HG   PRO   7           HG2      PRO   7  10.664  -2.089   5.091
   57   1HD   PRO   7           HD1      PRO   7   8.282  -1.775   3.588
   58   2HD   PRO   7           HD2      PRO   7   8.796  -0.753   4.947
   59    H    HIS   8           HN       HIS   8   8.670  -0.748   1.071
   60    HA   HIS   8           HA       HIS   8  10.235  -1.946  -1.118
   61   1HB   HIS   8           HB1      HIS   8   7.259  -1.637  -1.196
   62   2HB   HIS   8           HB2      HIS   8   8.250  -2.949  -1.822
   63    HD1  HIS   8           HD1      HIS   8   5.818  -2.668   0.575
   64    HD2  HIS   8           HD2      HIS   8   9.769  -3.973   0.852
   65    HE1  HIS   8           HE1      HIS   8   5.918  -4.203   2.581
   66    H    ASP   9           HN       ASP   9  10.543   0.850  -0.799
   67    HA   ASP   9           HA       ASP   9  10.801   2.624  -2.341
   68   1HB   ASP   9           HB1      ASP   9   8.774   1.326  -4.152
   69   2HB   ASP   9           HB2      ASP   9  10.099   2.411  -4.577
   70    H    THR  10           HN       THR  10   7.415   1.402  -2.142
   71    HA   THR  10           HA       THR  10   5.467   2.563  -1.526
   72    HB   THR  10           HB       THR  10   6.891   5.035  -0.725
   73    HG1  THR  10           HG1      THR  10   8.116   4.130   0.773
   74   1HG2  THR  10          HG22      THR  10   4.529   3.570  -0.047
   75   2HG2  THR  10          HG21      THR  10   5.524   3.701   1.402
   76   3HG2  THR  10          HG23      THR  10   5.034   5.153   0.536
   77    H    GLN  11           HN       GLN  11   4.552   5.030  -1.959
   78    HA   GLN  11           HA       GLN  11   5.695   6.171  -4.381
   79   1HB   GLN  11           HB1      GLN  11   4.432   4.412  -5.416
   80   2HB   GLN  11           HB2      GLN  11   3.035   4.738  -4.390
   81   1HG   GLN  11           HG1      GLN  11   2.384   6.556  -5.631
   82   2HG   GLN  11           HG2      GLN  11   4.043   7.019  -6.012
   83   1HE2  GLN  11          HE22      GLN  11   2.803   3.804  -8.228
   84   2HE2  GLN  11          HE21      GLN  11   2.715   3.751  -6.533
   85    H    THR  12           HN       THR  12   5.771   7.912  -2.691
   86    HA   THR  12           HA       THR  12   3.654   9.069  -1.375
   87    HB   THR  12           HB       THR  12   4.851  11.162  -1.440
   88    HG1  THR  12           HG1      THR  12   6.522  10.118  -3.451
   89   1HG2  THR  12          HG21      THR  12   6.075   8.665  -0.848
   90   2HG2  THR  12          HG23      THR  12   7.304   9.683  -1.598
   91   3HG2  THR  12          HG22      THR  12   6.453  10.244  -0.159
   92    H    CYS  13           HN       CYS  13   2.010  10.547  -1.919
   93    HA   CYS  13           HA       CYS  13   1.516  10.852  -4.856
   94   1HB   CYS  13           HB1      CYS  13  -0.142   9.420  -3.686
   95   2HB   CYS  13           HB2      CYS  13  -0.508  10.759  -2.599
   96    HA   PRO  14           HA       PRO  14   2.087  15.105  -3.352
   97   1HB   PRO  14           HB1      PRO  14   3.220  15.971  -5.706
   98   2HB   PRO  14           HB2      PRO  14   4.137  15.220  -4.389
   99   1HG   PRO  14           HG1      PRO  14   3.305  14.073  -7.024
  100   2HG   PRO  14           HG2      PRO  14   4.692  13.650  -6.007
  101   1HD   PRO  14           HD1      PRO  14   2.253  12.207  -6.213
  102   2HD   PRO  14           HD2      PRO  14   3.508  11.969  -4.978
  103    H    SER  15           HN       SER  15   1.446  14.748  -6.864
  104    HA   SER  15           HA       SER  15  -0.836  16.633  -6.536
  105   1HB   SER  15           HB1      SER  15   1.102  16.922  -8.266
  106   2HB   SER  15           HB2      SER  15   0.236  15.695  -9.186
  107    HG   SER  15           HG       SER  15  -0.287  18.164  -9.295
  108    H    GLY  16           HN       GLY  16  -2.566  16.075  -8.434
  109   1HA   GLY  16           HA1      GLY  16  -4.050  14.464  -9.368
  110   2HA   GLY  16           HA2      GLY  16  -3.062  13.185  -8.662
  111    H    GLN  17           HN       GLN  17  -4.489  12.047  -7.396
  112    HA   GLN  17           HA       GLN  17  -6.685  13.278  -5.977
  113   1HB   GLN  17           HB1      GLN  17  -5.398  10.583  -5.448
  114   2HB   GLN  17           HB2      GLN  17  -7.028  11.085  -4.996
  115   1HG   GLN  17           HG1      GLN  17  -7.755  10.330  -6.992
  116   2HG   GLN  17           HG2      GLN  17  -6.787  11.582  -7.771
  117   1HE2  GLN  17          HE22      GLN  17  -5.397   7.727  -7.651
  118   2HE2  GLN  17          HE21      GLN  17  -6.696   8.187  -6.660
  119    H    GLU  18           HN       GLU  18  -6.472  12.089  -3.405
  120    HA   GLU  18           HA       GLU  18  -4.024  13.335  -2.254
  121   1HB   GLU  18           HB1      GLU  18  -6.888  13.954  -1.500
  122   2HB   GLU  18           HB2      GLU  18  -5.526  14.309  -0.435
  123   1HG   GLU  18           HG1      GLU  18  -4.541  15.459  -2.605
  124   2HG   GLU  18           HG2      GLU  18  -6.237  15.525  -3.086
  125    H    ILE  19           HN       ILE  19  -5.791  10.606  -2.526
  126    HA   ILE  19           HA       ILE  19  -5.413   9.789   0.319
  127    HB   ILE  19           HB       ILE  19  -6.839   8.222  -1.814
  128   1HG1  ILE  19          HG11      ILE  19  -7.561  10.815  -0.926
  129   2HG1  ILE  19          HG12      ILE  19  -8.547   9.701  -1.862
  130   1HG2  ILE  19          HG21      ILE  19  -6.910   8.296   1.211
  131   2HG2  ILE  19          HG22      ILE  19  -8.082   7.402   0.240
  132   3HG2  ILE  19          HG23      ILE  19  -6.371   6.971   0.180
  133   1HD1  ILE  19          HD13      ILE  19  -8.406   9.764   1.168
  134   2HD1  ILE  19          HD11      ILE  19  -9.700  10.471   0.202
  135   3HD1  ILE  19          HD12      ILE  19  -9.450   8.724   0.199
  136    H    CYS  20           HN       CYS  20  -4.465   7.719   0.702
  137    HA   CYS  20           HA       CYS  20  -2.666   6.769  -1.491
  138   1HB   CYS  20           HB1      CYS  20  -1.494   8.133   0.323
  139   2HB   CYS  20           HB2      CYS  20  -1.908   6.839   1.443
  140    H    TYR  21           HN       TYR  21  -2.921   4.596  -1.874
  141    HA   TYR  21           HA       TYR  21  -4.479   3.068   0.150
  142   1HB   TYR  21           HB1      TYR  21  -5.092   1.568  -1.571
  143   2HB   TYR  21           HB2      TYR  21  -5.132   3.146  -2.355
  144    HD1  TYR  21           HD2      TYR  21  -2.930   0.173  -1.777
  145    HD2  TYR  21           HD1      TYR  21  -3.798   3.580  -4.244
  146    HE1  TYR  21           HE2      TYR  21  -1.251  -0.597  -3.434
  147    HE2  TYR  21           HE1      TYR  21  -2.121   2.811  -5.901
  148    HH   TYR  21           HH       TYR  21  -0.001   1.332  -5.816
  149    H    VAL  22           HN       VAL  22  -3.725   0.844   0.643
  150    HA   VAL  22           HA       VAL  22  -0.764   0.613   0.314
  151    HB   VAL  22           HB       VAL  22  -0.534  -0.119   2.588
  152   1HG1  VAL  22          HG13      VAL  22  -1.267   2.434   1.935
  153   2HG1  VAL  22          HG12      VAL  22  -2.490   2.033   3.141
  154   3HG1  VAL  22          HG11      VAL  22  -0.780   1.936   3.553
  155   1HG2  VAL  22          HG21      VAL  22  -3.532  -0.268   2.472
  156   2HG2  VAL  22          HG23      VAL  22  -2.382  -1.490   3.014
  157   3HG2  VAL  22          HG22      VAL  22  -2.711  -0.081   4.021
  158    H    LYS  23           HN       LYS  23  -0.618  -1.040  -1.150
  159    HA   LYS  23           HA       LYS  23  -2.367  -3.420  -0.735
  160   1HB   LYS  23           HB1      LYS  23  -2.129  -2.192  -3.016
  161   2HB   LYS  23           HB2      LYS  23  -0.552  -2.974  -3.104
  162   1HG   LYS  23           HG1      LYS  23  -1.486  -5.120  -3.192
  163   2HG   LYS  23           HG2      LYS  23  -2.992  -4.600  -2.435
  164   1HD   LYS  23           HD1      LYS  23  -3.663  -4.809  -4.655
  165   2HD   LYS  23           HD2      LYS  23  -3.198  -3.109  -4.611
  166   1HE   LYS  23           HE1      LYS  23  -0.851  -4.656  -5.131
  167   2HE   LYS  23           HE2      LYS  23  -2.115  -5.199  -6.234
  168   1HZ   LYS  23           HZ3      LYS  23  -2.264  -2.427  -6.109
  169   2HZ   LYS  23           HZ1      LYS  23  -0.624  -2.813  -6.307
  170   3HZ   LYS  23           HZ2      LYS  23  -1.770  -3.385  -7.424
  171    H    SER  24           HN       SER  24  -1.428  -5.035   0.425
  172    HA   SER  24           HA       SER  24   1.494  -5.469   0.033
  173   1HB   SER  24           HB1      SER  24   1.135  -6.226   2.634
  174   2HB   SER  24           HB2      SER  24   1.735  -4.645   2.136
  175    HG   SER  24           HG       SER  24  -0.227  -4.840   3.595
  176    H    TRP  25           HN       TRP  25   1.666  -7.437  -0.867
  177    HA   TRP  25           HA       TRP  25   0.260  -9.727   0.418
  178   1HB   TRP  25           HB1      TRP  25  -0.452 -10.587  -1.751
  179   2HB   TRP  25           HB2      TRP  25  -1.073  -8.945  -1.558
  180    HD1  TRP  25           HD1      TRP  25   1.159 -11.008  -3.738
  181    HE1  TRP  25           HE1      TRP  25   2.202  -9.495  -5.558
  182    HE3  TRP  25           HE3      TRP  25  -0.102  -6.509  -1.848
  183    HZ2  TRP  25           HZ2      TRP  25   2.472  -6.665  -6.093
  184    HZ3  TRP  25           HZ3      TRP  25   0.554  -4.445  -2.951
  185    HH2  TRP  25           HH2      TRP  25   1.838  -4.475  -5.086
  186    H    CYS  26           HN       CYS  26   1.378 -11.744   0.093
  187    HA   CYS  26           HA       CYS  26   3.952 -11.609  -1.385
  188   1HB   CYS  26           HB1      CYS  26   5.289 -12.236   0.402
  189   2HB   CYS  26           HB2      CYS  26   4.115 -11.232   1.238
  190    H    ASN  27           HN       ASN  27   4.832 -14.178  -0.739
  191    HA   ASN  27           HA       ASN  27   2.604 -15.823  -1.868
  192   1HB   ASN  27           HB1      ASN  27   5.540 -15.725  -2.413
  193   2HB   ASN  27           HB2      ASN  27   4.738 -17.293  -2.519
  194   1HD2  ASN  27          HD22      ASN  27   4.224 -16.086  -5.894
  195   2HD2  ASN  27          HD21      ASN  27   5.343 -16.936  -4.942
  196    H    ALA  28           HN       ALA  28   3.448 -18.350  -1.405
  197    HA   ALA  28           HA       ALA  28   3.145 -18.581   1.478
  198   1HB   ALA  28           HB1      ALA  28   3.541 -20.664  -0.677
  199   2HB   ALA  28           HB3      ALA  28   3.243 -21.045   1.018
  200   3HB   ALA  28           HB2      ALA  28   2.013 -20.202   0.076
  201    H    TRP  29           HN       TRP  29   5.754 -17.841  -0.267
  202    HA   TRP  29           HA       TRP  29   7.584 -19.154   1.673
  203   1HB   TRP  29           HB1      TRP  29   8.061 -18.868  -1.284
  204   2HB   TRP  29           HB2      TRP  29   9.166 -19.556  -0.121
  205    HD1  TRP  29           HD1      TRP  29   5.417 -20.180  -1.019
  206    HE1  TRP  29           HE1      TRP  29   5.080 -22.745  -1.071
  207    HE3  TRP  29           HE3      TRP  29  10.096 -21.643   0.163
  208    HZ2  TRP  29           HZ2      TRP  29   6.648 -25.130  -0.649
  209    HZ3  TRP  29           HZ3      TRP  29  10.699 -24.062   0.345
  210    HH2  TRP  29           HH2      TRP  29   8.970 -25.803  -0.060
  211    H    CYS  30           HN       CYS  30   6.376 -16.353   1.214
  212    HA   CYS  30           HA       CYS  30   8.543 -14.651   0.370
  213   1HB   CYS  30           HB1      CYS  30   7.208 -12.852   1.553
  214   2HB   CYS  30           HB2      CYS  30   6.368 -13.721   0.268
  215    H    SER  31           HN       SER  31   8.858 -16.634   2.848
  216    HA   SER  31           HA       SER  31   9.295 -15.310   5.224
  217   1HB   SER  31           HB1      SER  31   9.805 -17.691   4.952
  218   2HB   SER  31           HB2      SER  31  11.162 -17.302   3.900
  219    HG   SER  31           HG       SER  31  10.895 -16.935   6.659
  220    H    SER  32           HN       SER  32   9.841 -13.126   4.854
  221    HA   SER  32           HA       SER  32  11.183 -11.304   4.180
  222   1HB   SER  32           HB1      SER  32  13.602 -12.622   5.184
  223   2HB   SER  32           HB2      SER  32  12.843 -11.117   5.694
  224    HG   SER  32           HG       SER  32  11.417 -12.237   6.946
  225    H    ARG  33           HN       ARG  33  10.952 -11.972   1.935
  226    HA   ARG  33           HA       ARG  33  13.629 -12.654   0.779
  227   1HB   ARG  33           HB1      ARG  33  11.064 -14.006   0.386
  228   2HB   ARG  33           HB2      ARG  33  11.791 -13.486  -1.135
  229   1HG   ARG  33           HG1      ARG  33  13.431 -15.034  -0.988
  230   2HG   ARG  33           HG2      ARG  33  13.749 -14.645   0.704
  231   1HD   ARG  33           HD1      ARG  33  11.659 -15.951   1.290
  232   2HD   ARG  33           HD2      ARG  33  11.598 -16.477  -0.393
  233    HE   ARG  33           HE       ARG  33  14.076 -17.269   0.191
  234   1HH1  ARG  33          HH11      ARG  33  14.175 -17.182   2.993
  235   2HH1  ARG  33          HH12      ARG  33  13.380 -18.620   3.540
  236   1HH2  ARG  33          HH21      ARG  33  11.775 -19.200   0.522
  237   2HH2  ARG  33          HH22      ARG  33  12.022 -19.762   2.142
  238    H    GLY  34           HN       GLY  34  10.725 -11.986  -1.077
  239   1HA   GLY  34           HA1      GLY  34  11.563  -9.183  -1.519
  240   2HA   GLY  34           HA2      GLY  34  11.562 -10.249  -2.927
  241    H    LYS  35           HN       LYS  35   9.325 -10.032  -0.157
  242    HA   LYS  35           HA       LYS  35   6.960 -10.590  -1.464
  243   1HB   LYS  35           HB1      LYS  35   7.162  -8.349   0.559
  244   2HB   LYS  35           HB2      LYS  35   5.805  -9.443   0.288
  245   1HG   LYS  35           HG1      LYS  35   6.692 -10.667   1.982
  246   2HG   LYS  35           HG2      LYS  35   7.887 -11.187   0.794
  247   1HD   LYS  35           HD1      LYS  35   9.478 -10.218   2.062
  248   2HD   LYS  35           HD2      LYS  35   8.746  -8.653   1.709
  249   1HE   LYS  35           HE1      LYS  35   8.209  -8.485   3.892
  250   2HE   LYS  35           HE2      LYS  35   7.112  -9.850   3.679
  251   1HZ   LYS  35           HZ2      LYS  35   9.153 -11.287   3.980
  252   2HZ   LYS  35           HZ3      LYS  35   9.940  -9.892   4.546
  253   3HZ   LYS  35           HZ1      LYS  35   8.580 -10.488   5.365
  254    H    VAL  36           HN       VAL  36   5.383  -9.344  -2.589
  255    HA   VAL  36           HA       VAL  36   6.520  -6.962  -3.962
  256    HB   VAL  36           HB       VAL  36   3.870  -7.864  -4.842
  257   1HG1  VAL  36          HG12      VAL  36   6.582  -7.424  -6.102
  258   2HG1  VAL  36          HG11      VAL  36   5.188  -7.978  -7.027
  259   3HG1  VAL  36          HG13      VAL  36   5.148  -6.405  -6.231
  260   1HG2  VAL  36          HG23      VAL  36   6.198  -9.808  -4.839
  261   2HG2  VAL  36          HG22      VAL  36   4.582 -10.074  -4.188
  262   3HG2  VAL  36          HG21      VAL  36   4.823  -9.959  -5.931
  263    H    LEU  37           HN       LEU  37   6.143  -5.849  -1.798
  264    HA   LEU  37           HA       LEU  37   3.299  -5.111  -1.373
  265   1HB   LEU  37           HB1      LEU  37   5.771  -5.247   0.308
  266   2HB   LEU  37           HB2      LEU  37   4.491  -4.135   0.776
  267    HG   LEU  37           HG       LEU  37   2.945  -5.875   1.087
  268   1HD1  LEU  37          HD11      LEU  37   3.415  -7.015  -1.082
  269   2HD1  LEU  37          HD13      LEU  37   4.843  -7.749  -0.357
  270   3HD1  LEU  37          HD12      LEU  37   3.237  -8.155   0.249
  271   1HD2  LEU  37          HD23      LEU  37   5.636  -7.001   1.868
  272   2HD2  LEU  37          HD22      LEU  37   4.657  -5.894   2.831
  273   3HD2  LEU  37          HD21      LEU  37   4.084  -7.533   2.517
  274    H    GLU  38           HN       GLU  38   2.747  -3.180  -2.356
  275    HA   GLU  38           HA       GLU  38   4.629  -0.911  -2.026
  276   1HB   GLU  38           HB1      GLU  38   3.874  -0.307  -4.500
  277   2HB   GLU  38           HB2      GLU  38   5.273  -1.338  -4.197
  278   1HG   GLU  38           HG1      GLU  38   4.174  -3.254  -4.873
  279   2HG   GLU  38           HG2      GLU  38   2.595  -2.653  -4.366
  280    H    PHE  39           HN       PHE  39   3.584   1.163  -2.152
  281    HA   PHE  39           HA       PHE  39   0.626   1.018  -1.918
  282   1HB   PHE  39           HB1      PHE  39   2.461   3.055  -0.627
  283   2HB   PHE  39           HB2      PHE  39   0.727   2.880  -0.360
  284    HD1  PHE  39           HD2      PHE  39   0.970  -0.285  -0.517
  285    HD2  PHE  39           HD1      PHE  39   2.918   2.766   1.794
  286    HE1  PHE  39           HE2      PHE  39   1.424  -1.939   1.274
  287    HE2  PHE  39           HE1      PHE  39   3.371   1.113   3.589
  288    HZ   PHE  39           HZ       PHE  39   2.627  -1.241   3.329
  289    H    GLY  40           HN       GLY  40  -0.438   3.177  -2.575
  290   1HA   GLY  40           HA1      GLY  40   1.152   4.788  -4.469
  291   2HA   GLY  40           HA2      GLY  40  -0.153   3.845  -5.187
  292    H    CYS  41           HN       CYS  41  -1.197   5.878  -5.786
  293    HA   CYS  41           HA       CYS  41  -2.260   7.472  -3.518
  294   1HB   CYS  41           HB1      CYS  41  -1.119   8.470  -5.638
  295   2HB   CYS  41           HB2      CYS  41  -2.634   8.115  -6.437
  296    H    ALA  42           HN       ALA  42  -4.580   8.265  -4.153
  297    HA   ALA  42           HA       ALA  42  -6.344   6.652  -5.668
  298   1HB   ALA  42           HB2      ALA  42  -5.843   5.724  -2.850
  299   2HB   ALA  42           HB1      ALA  42  -7.420   5.481  -3.602
  300   3HB   ALA  42           HB3      ALA  42  -5.979   4.766  -4.325
  301    H    ALA  43           HN       ALA  43  -8.666   6.798  -4.619
  302    HA   ALA  43           HA       ALA  43  -8.992   9.591  -3.655
  303   1HB   ALA  43           HB3      ALA  43  -9.986   8.615  -5.931
  304   2HB   ALA  43           HB2      ALA  43 -11.263   8.064  -4.847
  305   3HB   ALA  43           HB1      ALA  43 -10.885   9.783  -4.962
  306    H    THR  44           HN       THR  44 -10.175   6.252  -3.255
  307    HA   THR  44           HA       THR  44 -10.888   6.932  -0.467
  308    HB   THR  44           HB       THR  44 -12.969   7.244  -1.784
  309    HG1  THR  44           HG1      THR  44 -14.162   5.553  -0.618
  310   1HG2  THR  44          HG22      THR  44 -12.049   5.268  -3.381
  311   2HG2  THR  44          HG21      THR  44 -13.150   4.338  -2.363
  312   3HG2  THR  44          HG23      THR  44 -13.754   5.712  -3.291
  313    H    CYS  45           HN       CYS  45 -10.869   5.082   0.903
  314    HA   CYS  45           HA       CYS  45  -9.006   3.183   0.634
  315   1HB   CYS  45           HB1      CYS  45 -10.546   3.642   2.597
  316   2HB   CYS  45           HB2      CYS  45 -11.695   2.555   1.828
  317    HA   PRO  46           HA       PRO  46 -10.638   0.656  -2.689
  318   1HB   PRO  46           HB1      PRO  46  -8.396  -0.932  -2.933
  319   2HB   PRO  46           HB2      PRO  46  -8.542   0.687  -3.635
  320   1HG   PRO  46           HG1      PRO  46  -6.914  -0.214  -1.336
  321   2HG   PRO  46           HG2      PRO  46  -6.768   1.261  -2.294
  322   1HD   PRO  46           HD1      PRO  46  -7.976   0.935   0.314
  323   2HD   PRO  46           HD2      PRO  46  -7.804   2.429  -0.632
  324    H    SER  47           HN       SER  47 -11.487  -1.494  -2.856
  325    HA   SER  47           HA       SER  47 -11.137  -3.188  -0.413
  326   1HB   SER  47           HB1      SER  47 -13.443  -3.687  -0.371
  327   2HB   SER  47           HB2      SER  47 -13.402  -1.960  -0.716
  328    HG   SER  47           HG       SER  47 -13.371  -2.697  -3.015
  329    H    VAL  48           HN       VAL  48  -9.477  -3.628  -2.548
  330    HA   VAL  48           HA       VAL  48 -10.712  -5.905  -4.017
  331    HB   VAL  48           HB       VAL  48  -8.378  -4.142  -4.622
  332   1HG1  VAL  48          HG11      VAL  48  -8.794  -6.937  -5.351
  333   2HG1  VAL  48          HG13      VAL  48  -8.645  -5.890  -6.761
  334   3HG1  VAL  48          HG12      VAL  48  -7.359  -5.933  -5.555
  335   1HG2  VAL  48          HG22      VAL  48 -11.074  -4.078  -5.330
  336   2HG2  VAL  48          HG21      VAL  48  -9.773  -3.182  -6.114
  337   3HG2  VAL  48          HG23      VAL  48 -10.268  -4.752  -6.745
  338    H    ASN  49           HN       ASN  49 -10.399  -7.140  -1.929
  339    HA   ASN  49           HA       ASN  49  -7.654  -7.734  -1.173
  340   1HB   ASN  49           HB1      ASN  49  -9.670  -7.605   0.415
  341   2HB   ASN  49           HB2      ASN  49 -10.108  -9.194  -0.212
  342   1HD2  ASN  49          HD22      ASN  49  -7.632  -9.251   2.781
  343   2HD2  ASN  49          HD21      ASN  49  -8.931  -8.193   2.511
  344    H    THR  50           HN       THR  50  -8.284  -8.446  -3.894
  345    HA   THR  50           HA       THR  50  -8.891 -11.258  -4.106
  346    HB   THR  50           HB       THR  50  -9.119  -9.746  -6.033
  347    HG1  THR  50           HG1      THR  50  -8.688 -11.436  -7.168
  348   1HG2  THR  50          HG21      THR  50  -6.827  -8.590  -5.183
  349   2HG2  THR  50          HG23      THR  50  -6.187  -9.613  -6.469
  350   3HG2  THR  50          HG22      THR  50  -7.435  -8.420  -6.829
  351    H    GLY  51           HN       GLY  51  -7.498 -12.228  -2.488
  352   1HA   GLY  51           HA1      GLY  51  -5.529 -13.304  -1.793
  353   2HA   GLY  51           HA2      GLY  51  -5.023 -13.226  -3.483
  354    H    THR  52           HN       THR  52  -5.829 -10.211  -2.088
  355    HA   THR  52           HA       THR  52  -2.961  -9.634  -1.479
  356    HB   THR  52           HB       THR  52  -4.877  -7.967  -3.138
  357    HG1  THR  52           HG1      THR  52  -3.782  -8.730  -4.749
  358   1HG2  THR  52          HG21      THR  52  -2.367  -7.302  -1.685
  359   2HG2  THR  52          HG23      THR  52  -2.541  -6.654  -3.315
  360   3HG2  THR  52          HG22      THR  52  -3.744  -6.274  -2.083
  361    H    GLU  53           HN       GLU  53  -2.687  -7.863   0.075
  362    HA   GLU  53           HA       GLU  53  -5.132  -7.490   1.732
  363   1HB   GLU  53           HB1      GLU  53  -2.354  -6.846   2.674
  364   2HB   GLU  53           HB2      GLU  53  -3.758  -7.341   3.618
  365   1HG   GLU  53           HG1      GLU  53  -2.427  -9.162   1.600
  366   2HG   GLU  53           HG2      GLU  53  -1.948  -9.117   3.296
  367    H    ILE  54           HN       ILE  54  -5.955  -5.675   0.491
  368    HA   ILE  54           HA       ILE  54  -4.202  -3.282   0.428
  369    HB   ILE  54           HB       ILE  54  -5.956  -4.242  -1.453
  370   1HG1  ILE  54          HG11      ILE  54  -5.397  -1.299  -1.210
  371   2HG1  ILE  54          HG12      ILE  54  -4.088  -2.448  -1.488
  372   1HG2  ILE  54          HG21      ILE  54  -7.740  -3.202   0.307
  373   2HG2  ILE  54          HG22      ILE  54  -7.393  -1.784  -0.682
  374   3HG2  ILE  54          HG23      ILE  54  -8.002  -3.257  -1.432
  375   1HD1  ILE  54          HD11      ILE  54  -5.308  -3.310  -3.481
  376   2HD1  ILE  54          HD12      ILE  54  -6.554  -2.090  -3.221
  377   3HD1  ILE  54          HD13      ILE  54  -4.910  -1.598  -3.633
  378    H    LYS  55           HN       LYS  55  -4.968  -1.261   1.335
  379    HA   LYS  55           HA       LYS  55  -7.303  -1.349   3.108
  380   1HB   LYS  55           HB1      LYS  55  -4.481  -1.146   4.187
  381   2HB   LYS  55           HB2      LYS  55  -5.908  -0.675   5.109
  382   1HG   LYS  55           HG1      LYS  55  -6.808  -3.028   4.592
  383   2HG   LYS  55           HG2      LYS  55  -5.165  -3.419   4.081
  384   1HD   LYS  55           HD1      LYS  55  -4.334  -3.314   6.224
  385   2HD   LYS  55           HD2      LYS  55  -5.471  -2.058   6.714
  386   1HE   LYS  55           HE1      LYS  55  -6.652  -3.682   7.745
  387   2HE   LYS  55           HE2      LYS  55  -7.081  -4.275   6.139
  388   1HZ   LYS  55           HZ2      LYS  55  -4.519  -5.033   7.388
  389   2HZ   LYS  55           HZ3      LYS  55  -5.946  -5.870   7.771
  390   3HZ   LYS  55           HZ1      LYS  55  -5.391  -5.833   6.169
  391    H    CYS  56           HN       CYS  56  -6.995   0.866   4.559
  392    HA   CYS  56           HA       CYS  56  -6.646   2.973   2.485
  393   1HB   CYS  56           HB1      CYS  56  -7.764   3.850   5.044
  394   2HB   CYS  56           HB2      CYS  56  -8.419   4.034   3.420
  395    H    CYS  57           HN       CYS  57  -5.251   4.716   2.848
  396    HA   CYS  57           HA       CYS  57  -3.924   5.059   5.427
  397   1HB   CYS  57           HB1      CYS  57  -2.586   3.214   4.659
  398   2HB   CYS  57           HB2      CYS  57  -2.429   3.921   3.053
  399    H    SER  58           HN       SER  58  -3.119   7.132   5.584
  400    HA   SER  58           HA       SER  58  -2.735   8.639   3.067
  401   1HB   SER  58           HB1      SER  58  -3.964  10.590   4.068
  402   2HB   SER  58           HB2      SER  58  -5.001   9.208   3.723
  403    HG   SER  58           HG       SER  58  -5.486   9.195   5.741
  404    H    ALA  59           HN       ALA  59  -1.411   7.614   5.841
  405    HA   ALA  59           HA       ALA  59   0.679   9.642   5.732
  406   1HB   ALA  59           HB3      ALA  59  -1.132   9.505   8.160
  407   2HB   ALA  59           HB2      ALA  59   0.404  10.371   8.107
  408   3HB   ALA  59           HB1      ALA  59  -0.934  10.883   7.076
  409    H    ASP  60           HN       ASP  60   0.467   8.527   8.879
  410    HA   ASP  60           HA       ASP  60   2.355   6.323   8.278
  411   1HB   ASP  60           HB1      ASP  60   3.133   7.927   9.956
  412   2HB   ASP  60           HB2      ASP  60   1.637   7.737  10.872
  413    H    LYS  61           HN       LYS  61  -0.434   6.118   7.705
  414    HA   LYS  61           HA       LYS  61  -1.373   4.208   9.763
  415   1HB   LYS  61           HB1      LYS  61  -3.025   5.886   9.447
  416   2HB   LYS  61           HB2      LYS  61  -2.821   5.853   7.696
  417   1HG   LYS  61           HG1      LYS  61  -3.957   3.807   7.480
  418   2HG   LYS  61           HG2      LYS  61  -3.714   3.385   9.174
  419   1HD   LYS  61           HD1      LYS  61  -5.460   5.663   8.193
  420   2HD   LYS  61           HD2      LYS  61  -6.060   4.081   8.692
  421   1HE   LYS  61           HE1      LYS  61  -4.515   4.726  10.838
  422   2HE   LYS  61           HE2      LYS  61  -5.049   6.330  10.336
  423   1HZ   LYS  61           HZ1      LYS  61  -7.041   4.192  10.449
  424   2HZ   LYS  61           HZ2      LYS  61  -6.493   4.840  11.921
  425   3HZ   LYS  61           HZ3      LYS  61  -7.215   5.850  10.761
  426    H    CYS  62           HN       CYS  62   0.207   4.279   6.871
  427    HA   CYS  62           HA       CYS  62  -1.107   2.328   5.296
  428   1HB   CYS  62           HB1      CYS  62   1.802   3.084   5.577
  429   2HB   CYS  62           HB2      CYS  62   1.268   1.854   4.436
  430    H    ASN  63           HN       ASN  63   0.471   2.018   8.312
  431    HA   ASN  63           HA       ASN  63   0.775  -0.915   7.944
  432   1HB   ASN  63           HB1      ASN  63   2.045  -0.780  10.116
  433   2HB   ASN  63           HB2      ASN  63   2.782   0.130   8.798
  434   1HD2  ASN  63          HD22      ASN  63   1.226   2.110  12.023
  435   2HD2  ASN  63          HD21      ASN  63   0.942   0.448  11.824
  436    H    THR  64           HN       THR  64  -0.657   1.516  10.123
  437    HA   THR  64           HA       THR  64  -2.401   1.319  11.679
  438    HB   THR  64           HB       THR  64  -3.901  -0.842  10.819
  439    HG1  THR  64           HG1      THR  64  -3.430  -1.188   8.812
  440   1HG2  THR  64          HG21      THR  64  -3.920   2.019  10.841
  441   2HG2  THR  64          HG23      THR  64  -4.590   1.453   9.311
  442   3HG2  THR  64          HG22      THR  64  -5.291   0.909  10.835
  443    H    TYR  65           HN       TYR  65  -3.609  -0.533  13.025
  444    HA   TYR  65           HA       TYR  65  -2.000  -1.544  14.907
  445   1HB   TYR  65           HB1      TYR  65  -4.260  -1.890  15.320
  446   2HB   TYR  65           HB2      TYR  65  -4.529  -2.691  13.781
  447    HD1  TYR  65           HD1      TYR  65  -3.909  -5.056  13.462
  448    HD2  TYR  65           HD2      TYR  65  -3.313  -3.073  17.228
  449    HE1  TYR  65           HE1      TYR  65  -3.564  -7.252  14.563
  450    HE2  TYR  65           HE2      TYR  65  -2.968  -5.270  18.329
  451    HH   TYR  65           HH       TYR  65  -2.527  -8.173  16.544
  452    HA   PRO  66           HA       PRO  66  -0.927  -5.579  12.589
  453   1HB   PRO  66           HB1      PRO  66  -1.674  -5.750   9.944
  454   2HB   PRO  66           HB2      PRO  66  -2.665  -6.342  11.289
  455   1HG   PRO  66           HG1      PRO  66  -2.982  -3.863   9.634
  456   2HG   PRO  66           HG2      PRO  66  -4.222  -4.837  10.439
  457   1HD   PRO  66           HD1      PRO  66  -3.182  -2.397  11.385
  458   2HD   PRO  66           HD2      PRO  66  -4.093  -3.571  12.348
   
  No H/Q in entry =         458
   
  No H/Q in entry =         458