*HEADER    STRUCTURAL PROTEIN                      25-OCT-06   2JMA              
*TITLE     R21A SPC-SH3:P41 COMPLEX                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SPECTRIN ALPHA CHAIN, BRAIN;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SH3 DOMAIN, RESIDUES 965-1025;                             
*COMPND   5 SYNONYM: SPECTRIN, NON-ERYTHROID ALPHA CHAIN, FODRIN ALPHA           
*COMPND   6 CHAIN, ALPHA SPECTRIN;                                               
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MUTATION: YES;                                                       
*COMPND   9 MOL_ID: 2;                                                           
*COMPND  10 MOLECULE: P41 PEPTIDE;                                               
*COMPND  11 CHAIN: B;                                                            
*COMPND  12 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;                                  
*SOURCE   3 ORGANISM_COMMON: CHICKEN;                                            
*SOURCE   4 GENE: SPTAN1, SPTA2;                                                 
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET3D;                                    
*SOURCE   9 MOL_ID: 2;                                                           
*SOURCE  10 SYNTHETIC: YES                                                       
*KEYWDS    SH3 DOMAIN, P41-BOUND                                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    N.A.J.VAN NULAND, S.CASARES, E.AB, H.ESHUIS, O.LOPEZ-                 
*AUTHOR   2 MAYORGA, F.CONEJERO-LARA                                             
*REVDAT   1   24-APR-07 2JMA    0                                                


! HADDOCK AIR restraints for 1st partner
!
assign ( resid 12  and name HA and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.5 5.5 0.0
!
assign ( resid 12  and name HB% and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 13  and name HA and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 13  and name HB% and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 15  and name HD% and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 16  and name HN and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 18  and name HN and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 21  and name HN and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 22  and name HN and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 38  and name HB% and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 38  and name HD2% and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 40  and name HN and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 40  and name HB% and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 41  and name HN and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 41  and name HB% and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 41  and name HE3 and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 41  and name HE1 and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 42  and name HN and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 43  and name HA and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 43  and name HB% and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 52  and name HN and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 52  and name HA and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 52  and name HB% and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 52  and name HE% and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 54  and name HA and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 54  and name HB% and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 54  and name HD% and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 55  and name HN and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 56  and name HN and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 56  and name HB% and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 57  and name HN and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 57  and name HB% and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!
assign ( resid 57  and name HD% and segid A)
       (
        ( resid 0  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
       )  5.0 5.0 0.0
!

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1 -19.711  -6.901  -2.552
    2   2H    MET   1          2H        MET   1 -20.131  -8.072  -3.706
    3   3H    MET   1          3H        MET   1 -20.543  -6.442  -3.957
    4    HA   MET   1           HA       MET   1 -17.826  -7.614  -3.924
    5   1HB   MET   1          2HB       MET   1 -19.573  -6.445  -6.084
    6   2HB   MET   1          1HB       MET   1 -17.832  -6.588  -6.269
    7   1HG   MET   1          2HG       MET   1 -19.736  -8.863  -5.761
    8   2HG   MET   1          1HG       MET   1 -19.020  -8.444  -7.316
    9   1HE   MET   1          1HE       MET   1 -18.154 -10.915  -7.620
   10   2HE   MET   1          2HE       MET   1 -18.865 -11.369  -6.072
   11   3HE   MET   1          3HE       MET   1 -17.185 -11.776  -6.424
   12    H    ASP   2           H        ASP   2 -18.111  -5.842  -1.967
   13    HA   ASP   2           HA       ASP   2 -17.072  -3.332  -3.145
   14   1HB   ASP   2          1HB       ASP   2 -18.561  -3.475  -0.487
   15   2HB   ASP   2          2HB       ASP   2 -17.852  -2.048  -1.220
   16    H    GLU   3           H        GLU   3 -15.244  -4.987  -3.018
   17    HA   GLU   3           HA       GLU   3 -13.954  -5.431  -0.509
   18   1HB   GLU   3          1HB       GLU   3 -12.573  -5.236  -3.270
   19   2HB   GLU   3          2HB       GLU   3 -11.737  -5.701  -1.800
   20   1HG   GLU   3          1HG       GLU   3 -12.650  -7.505  -3.447
   21   2HG   GLU   3          2HG       GLU   3 -12.697  -7.758  -1.709
   22    H    THR   4           H        THR   4 -14.336  -2.491  -2.124
   23    HA   THR   4           HA       THR   4 -12.022  -1.336  -0.756
   24    HB   THR   4           HB       THR   4 -12.473  -0.741  -3.236
   25    HG1  THR   4           HG1      THR   4 -11.175   0.446  -1.478
   26   1HG2  THR   4          1HG2      THR   4 -13.918   1.523  -3.110
   27   2HG2  THR   4          2HG2      THR   4 -14.787   0.568  -1.910
   28   3HG2  THR   4          3HG2      THR   4 -14.618  -0.027  -3.564
   29    H    GLY   5           H        GLY   5 -14.664  -2.245   0.306
   30   1HA   GLY   5          1HA       GLY   5 -15.630   0.229   1.558
   31   2HA   GLY   5          2HA       GLY   5 -16.463  -1.322   1.569
   32    H    LYS   6           H        LYS   6 -13.242  -0.170   2.515
   33    HA   LYS   6           HA       LYS   6 -13.654  -1.121   5.216
   34   1HB   LYS   6          1HB       LYS   6 -11.158  -1.825   3.613
   35   2HB   LYS   6          2HB       LYS   6 -11.552  -2.290   5.234
   36   1HG   LYS   6          1HG       LYS   6 -13.073  -3.917   4.565
   37   2HG   LYS   6          2HG       LYS   6 -13.278  -3.216   2.972
   38   1HD   LYS   6          1HD       LYS   6 -10.801  -3.772   2.624
   39   2HD   LYS   6          2HD       LYS   6 -10.979  -4.812   4.037
   40   1HE   LYS   6          1HE       LYS   6 -12.688  -6.098   2.941
   41   2HE   LYS   6          2HE       LYS   6 -12.733  -4.971   1.587
   42   1HZ   LYS   6          1HZ       LYS   6 -10.625  -5.689   0.846
   43   2HZ   LYS   6          2HZ       LYS   6 -11.470  -7.109   1.232
   44   3HZ   LYS   6          3HZ       LYS   6 -10.299  -6.510   2.298
   45    H    GLU   7           H        GLU   7 -11.115  -0.586   6.151
   46    HA   GLU   7           HA       GLU   7 -11.068   2.195   6.441
   47   1HB   GLU   7          1HB       GLU   7  -9.922   0.327   7.843
   48   2HB   GLU   7          2HB       GLU   7  -8.602   0.483   6.699
   49   1HG   GLU   7          1HG       GLU   7  -8.247   2.772   7.331
   50   2HG   GLU   7          2HG       GLU   7  -9.685   2.753   8.351
   51    H    LEU   8           H        LEU   8 -10.575   3.700   4.940
   52    HA   LEU   8           HA       LEU   8  -8.984   2.830   2.648
   53   1HB   LEU   8          1HB       LEU   8 -10.753   5.223   3.042
   54   2HB   LEU   8          2HB       LEU   8  -9.782   4.952   1.605
   55    HG   LEU   8           HG       LEU   8 -11.915   3.076   2.596
   56   1HD1  LEU   8          1HD1      LEU   8 -13.262   3.890   0.705
   57   2HD1  LEU   8          2HD1      LEU   8 -12.038   5.114   0.373
   58   3HD1  LEU   8          3HD1      LEU   8 -12.943   5.158   1.887
   59   1HD2  LEU   8          1HD2      LEU   8 -10.350   3.139   0.026
   60   2HD2  LEU   8          2HD2      LEU   8 -11.708   2.065   0.364
   61   3HD2  LEU   8          3HD2      LEU   8 -10.226   1.935   1.310
   62    H    VAL   9           H        VAL   9  -7.399   4.007   1.743
   63    HA   VAL   9           HA       VAL   9  -6.095   6.072   3.370
   64    HB   VAL   9           HB       VAL   9  -3.887   5.028   2.474
   65   1HG1  VAL   9          1HG1      VAL   9  -4.267   5.229   4.790
   66   2HG1  VAL   9          2HG1      VAL   9  -3.738   3.571   4.490
   67   3HG1  VAL   9          3HG1      VAL   9  -5.445   3.913   4.781
   68   1HG2  VAL   9          1HG2      VAL   9  -4.842   3.331   1.072
   69   2HG2  VAL   9          2HG2      VAL   9  -5.701   2.629   2.442
   70   3HG2  VAL   9          3HG2      VAL   9  -3.940   2.570   2.382
   71    H    LEU  10           H        LEU  10  -4.542   7.328   2.141
   72    HA   LEU  10           HA       LEU  10  -5.362   7.551  -0.679
   73   1HB   LEU  10          1HB       LEU  10  -5.932   9.522   0.588
   74   2HB   LEU  10          2HB       LEU  10  -4.313   9.615   1.254
   75    HG   LEU  10           HG       LEU  10  -3.598   9.866  -1.252
   76   1HD1  LEU  10          1HD1      LEU  10  -5.315  11.170  -2.513
   77   2HD1  LEU  10          2HD1      LEU  10  -6.497  10.663  -1.307
   78   3HD1  LEU  10          3HD1      LEU  10  -5.690   9.458  -2.310
   79   1HD2  LEU  10          1HD2      LEU  10  -4.904  12.053   0.355
   80   2HD2  LEU  10          2HD2      LEU  10  -3.864  12.315  -1.044
   81   3HD2  LEU  10          3HD2      LEU  10  -3.211  11.560   0.412
   82    H    ALA  11           H        ALA  11  -3.829   7.432  -2.254
   83    HA   ALA  11           HA       ALA  11  -1.175   6.617  -1.431
   84   1HB   ALA  11          1HB       ALA  11  -0.965   5.678  -3.484
   85   2HB   ALA  11          2HB       ALA  11  -1.733   7.037  -4.309
   86   3HB   ALA  11          3HB       ALA  11  -2.722   5.825  -3.488
   87    H    LEU  12           H        LEU  12   0.192   8.195  -0.876
   88    HA   LEU  12           HA       LEU  12  -0.004  10.869  -1.783
   89   1HB   LEU  12          1HB       LEU  12   2.018   9.342  -0.175
   90   2HB   LEU  12          2HB       LEU  12   2.310  11.011  -0.659
   91    HG   LEU  12           HG       LEU  12   0.163  11.629   0.478
   92   1HD1  LEU  12          1HD1      LEU  12  -0.974   9.550   0.530
   93   2HD1  LEU  12          2HD1      LEU  12  -0.677  10.059   2.194
   94   3HD1  LEU  12          3HD1      LEU  12   0.322   8.804   1.460
   95   1HD2  LEU  12          1HD2      LEU  12   2.317  12.023   1.554
   96   2HD2  LEU  12          2HD2      LEU  12   2.315  10.377   2.185
   97   3HD2  LEU  12          3HD2      LEU  12   1.116  11.539   2.752
   98    H    TYR  13           H        TYR  13   2.026   8.143  -2.753
   99    HA   TYR  13           HA       TYR  13   3.002   9.779  -4.986
  100   1HB   TYR  13          1HB       TYR  13   4.942   7.919  -3.678
  101   2HB   TYR  13          2HB       TYR  13   5.251   9.378  -4.608
  102    HD1  TYR  13           HD1      TYR  13   4.886  11.621  -3.514
  103    HD2  TYR  13           HD2      TYR  13   4.779   7.975  -1.327
  104    HE1  TYR  13           HE1      TYR  13   5.195  12.874  -1.421
  105    HE2  TYR  13           HE2      TYR  13   5.088   9.220   0.770
  106    HH   TYR  13           HH       TYR  13   4.632  12.498   1.044
  107    H    ASP  14           H        ASP  14   4.185   8.363  -6.606
  108    HA   ASP  14           HA       ASP  14   2.522   6.111  -7.248
  109   1HB   ASP  14          1HB       ASP  14   3.218   7.692  -9.019
  110   2HB   ASP  14          2HB       ASP  14   4.905   7.310  -8.692
  111    H    TYR  15           H        TYR  15   3.094   4.036  -7.131
  112    HA   TYR  15           HA       TYR  15   5.836   3.356  -6.356
  113   1HB   TYR  15          1HB       TYR  15   4.569   3.470  -4.267
  114   2HB   TYR  15          2HB       TYR  15   3.356   2.377  -4.924
  115    HD1  TYR  15           HD1      TYR  15   3.508   0.136  -4.355
  116    HD2  TYR  15           HD2      TYR  15   7.047   2.502  -4.353
  117    HE1  TYR  15           HE1      TYR  15   4.792  -1.784  -3.509
  118    HE2  TYR  15           HE2      TYR  15   8.330   0.592  -3.524
  119    HH   TYR  15           HH       TYR  15   7.119  -2.579  -3.456
  120    H    GLN  16           H        GLN  16   6.536   1.341  -7.011
  121    HA   GLN  16           HA       GLN  16   4.715  -0.156  -8.802
  122   1HB   GLN  16          1HB       GLN  16   7.323   1.006  -9.245
  123   2HB   GLN  16          2HB       GLN  16   7.465  -0.736  -9.336
  124   1HG   GLN  16          1HG       GLN  16   5.807   1.092 -11.064
  125   2HG   GLN  16          2HG       GLN  16   7.146   0.052 -11.525
  126   1HE2  GLN  16          1HE2      GLN  16   6.430  -2.304 -10.239
  127   2HE2  GLN  16          2HE2      GLN  16   4.999  -2.928 -10.983
  128    H    GLU  17           H        GLU  17   4.390  -2.232  -8.272
  129    HA   GLU  17           HA       GLU  17   5.299  -3.315  -5.849
  130   1HB   GLU  17          1HB       GLU  17   4.355  -5.457  -6.709
  131   2HB   GLU  17          2HB       GLU  17   3.247  -4.098  -6.833
  132   1HG   GLU  17          1HG       GLU  17   4.161  -3.891  -9.246
  133   2HG   GLU  17          2HG       GLU  17   4.708  -5.547  -8.993
  134    H    LYS  18           H        LYS  18   7.049  -4.504  -5.283
  135    HA   LYS  18           HA       LYS  18   8.977  -5.016  -7.449
  136   1HB   LYS  18          1HB       LYS  18   9.478  -4.934  -4.471
  137   2HB   LYS  18          2HB       LYS  18  10.699  -5.097  -5.730
  138   1HG   LYS  18          1HG       LYS  18  10.172  -2.857  -6.560
  139   2HG   LYS  18          2HG       LYS  18   8.897  -2.695  -5.353
  140   1HD   LYS  18          1HD       LYS  18  11.741  -3.234  -4.548
  141   2HD   LYS  18          2HD       LYS  18  11.185  -1.598  -4.900
  142   1HE   LYS  18          1HE       LYS  18  11.015  -1.935  -2.536
  143   2HE   LYS  18          2HE       LYS  18   9.377  -1.926  -3.192
  144   1HZ   LYS  18          1HZ       LYS  18  10.845  -4.453  -2.761
  145   2HZ   LYS  18          2HZ       LYS  18   9.169  -4.209  -2.918
  146   3HZ   LYS  18          3HZ       LYS  18   9.976  -3.712  -1.516
  147    H    SER  19           H        SER  19   7.254  -6.613  -4.808
  148    HA   SER  19           HA       SER  19   8.288  -9.177  -5.817
  149   1HB   SER  19          1HB       SER  19   8.037 -10.083  -3.555
  150   2HB   SER  19          2HB       SER  19   9.063  -8.642  -3.507
  151    HG   SER  19           HG       SER  19   7.486  -7.515  -2.533
  152    HA   PRO  20           HA       PRO  20   4.171 -10.597  -6.684
  153   1HB   PRO  20          1HB       PRO  20   4.663 -12.864  -4.805
  154   2HB   PRO  20          2HB       PRO  20   4.131 -12.902  -6.494
  155   1HG   PRO  20          1HG       PRO  20   6.609 -13.548  -5.915
  156   2HG   PRO  20          2HG       PRO  20   6.300 -12.467  -7.291
  157   1HD   PRO  20          1HD       PRO  20   7.185 -11.778  -4.509
  158   2HD   PRO  20          2HD       PRO  20   7.825 -11.190  -6.061
  159    H    ALA  21           H        ALA  21   5.139  -9.957  -3.476
  160    HA   ALA  21           HA       ALA  21   2.386 -10.144  -2.475
  161   1HB   ALA  21          1HB       ALA  21   3.917 -11.332  -1.070
  162   2HB   ALA  21          2HB       ALA  21   3.436  -9.859  -0.223
  163   3HB   ALA  21          3HB       ALA  21   5.013  -9.951  -1.010
  164    H    GLU  22           H        GLU  22   3.763  -8.082  -4.202
  165    HA   GLU  22           HA       GLU  22   3.113  -5.726  -2.562
  166   1HB   GLU  22          1HB       GLU  22   5.454  -6.271  -4.281
  167   2HB   GLU  22          2HB       GLU  22   4.724  -4.686  -4.477
  168   1HG   GLU  22          1HG       GLU  22   5.319  -3.993  -2.414
  169   2HG   GLU  22          2HG       GLU  22   5.260  -5.613  -1.714
  170    H    VAL  23           H        VAL  23   2.107  -3.977  -3.672
  171    HA   VAL  23           HA       VAL  23   1.007  -4.691  -6.300
  172    HB   VAL  23           HB       VAL  23  -1.092  -3.398  -5.560
  173   1HG1  VAL  23          1HG1      VAL  23  -2.092  -5.429  -4.559
  174   2HG1  VAL  23          2HG1      VAL  23  -0.477  -6.135  -4.499
  175   3HG1  VAL  23          3HG1      VAL  23  -1.204  -5.724  -6.053
  176   1HG2  VAL  23          1HG2      VAL  23   0.369  -3.559  -3.043
  177   2HG2  VAL  23          2HG2      VAL  23  -1.302  -4.102  -2.940
  178   3HG2  VAL  23          3HG2      VAL  23  -0.937  -2.482  -3.532
  179    H    THR  24           H        THR  24   0.509  -2.957  -7.664
  180    HA   THR  24           HA       THR  24   2.235  -0.666  -7.221
  181    HB   THR  24           HB       THR  24   0.681  -1.578  -9.640
  182    HG1  THR  24           HG1      THR  24   2.358  -2.930  -9.430
  183   1HG2  THR  24          1HG2      THR  24   0.940   0.841  -9.711
  184   2HG2  THR  24          2HG2      THR  24   1.990   0.073 -10.903
  185   3HG2  THR  24          3HG2      THR  24   2.666   0.678  -9.390
  186    H    MET  25           H        MET  25   1.574   1.356  -6.852
  187    HA   MET  25           HA       MET  25  -1.292   1.970  -7.051
  188   1HB   MET  25          1HB       MET  25  -1.218   3.241  -4.993
  189   2HB   MET  25          2HB       MET  25  -0.678   1.588  -4.676
  190   1HG   MET  25          1HG       MET  25   1.564   2.250  -4.455
  191   2HG   MET  25          2HG       MET  25   1.256   3.822  -5.197
  192   1HE   MET  25          1HE       MET  25   0.030   1.620  -2.094
  193   2HE   MET  25          2HE       MET  25  -1.369   2.447  -2.782
  194   3HE   MET  25          3HE       MET  25  -0.776   2.898  -1.184
  195    H    LYS  26           H        LYS  26  -1.757   4.229  -7.297
  196    HA   LYS  26           HA       LYS  26   0.498   5.773  -8.398
  197   1HB   LYS  26          1HB       LYS  26  -2.162   5.230  -9.683
  198   2HB   LYS  26          2HB       LYS  26  -1.413   6.798  -9.924
  199   1HG   LYS  26          1HG       LYS  26  -0.791   5.471 -11.754
  200   2HG   LYS  26          2HG       LYS  26   0.633   5.584 -10.722
  201   1HD   LYS  26          1HD       LYS  26   0.156   3.368  -9.811
  202   2HD   LYS  26          2HD       LYS  26  -1.294   3.263 -10.813
  203   1HE   LYS  26          1HE       LYS  26   0.571   2.029 -11.805
  204   2HE   LYS  26          2HE       LYS  26   0.069   3.377 -12.824
  205   1HZ   LYS  26          1HZ       LYS  26   2.582   2.917 -11.486
  206   2HZ   LYS  26          2HZ       LYS  26   1.990   4.492 -11.289
  207   3HZ   LYS  26          3HZ       LYS  26   2.234   3.868 -12.848
  208    H    LYS  27           H        LYS  27   0.536   7.916  -7.954
  209    HA   LYS  27           HA       LYS  27  -0.620   8.846  -5.605
  210   1HB   LYS  27          1HB       LYS  27   1.209  10.113  -6.166
  211   2HB   LYS  27          2HB       LYS  27   0.841  10.093  -7.882
  212   1HG   LYS  27          1HG       LYS  27   0.656  12.326  -7.149
  213   2HG   LYS  27          2HG       LYS  27  -0.983  11.738  -7.429
  214   1HD   LYS  27          1HD       LYS  27  -1.441  11.586  -5.131
  215   2HD   LYS  27          2HD       LYS  27   0.269  11.654  -4.697
  216   1HE   LYS  27          1HE       LYS  27   0.401  13.957  -5.198
  217   2HE   LYS  27          2HE       LYS  27  -1.150  13.946  -6.038
  218   1HZ   LYS  27          1HZ       LYS  27  -1.161  14.936  -3.766
  219   2HZ   LYS  27          2HZ       LYS  27  -0.879  13.384  -3.139
  220   3HZ   LYS  27          3HZ       LYS  27  -2.297  13.702  -4.016
  221    H    GLY  28           H        GLY  28  -2.552   9.549  -5.081
  222   1HA   GLY  28          1HA       GLY  28  -4.503  10.934  -5.461
  223   2HA   GLY  28          2HA       GLY  28  -4.288  10.674  -7.189
  224    H    ASP  29           H        ASP  29  -3.797   7.754  -5.721
  225    HA   ASP  29           HA       ASP  29  -6.493   6.894  -6.437
  226   1HB   ASP  29          1HB       ASP  29  -3.956   5.743  -6.833
  227   2HB   ASP  29          2HB       ASP  29  -4.734   4.755  -5.596
  228    H    ILE  30           H        ILE  30  -7.796   5.746  -5.033
  229    HA   ILE  30           HA       ILE  30  -7.136   6.115  -2.209
  230    HB   ILE  30           HB       ILE  30  -9.726   5.776  -3.694
  231   1HG1  ILE  30          1HG1      ILE  30 -10.410   7.719  -2.418
  232   2HG1  ILE  30          2HG1      ILE  30  -8.962   7.641  -1.428
  233   1HG2  ILE  30          1HG2      ILE  30  -9.831   4.082  -1.956
  234   2HG2  ILE  30          2HG2      ILE  30 -10.928   5.414  -1.595
  235   3HG2  ILE  30          3HG2      ILE  30  -9.388   5.280  -0.740
  236   1HD1  ILE  30          1HD1      ILE  30  -9.168   8.384  -4.335
  237   2HD1  ILE  30          2HD1      ILE  30  -7.633   8.092  -3.514
  238   3HD1  ILE  30          3HD1      ILE  30  -8.684   9.411  -2.984
  239    H    LEU  31           H        LEU  31  -6.238   4.482  -1.239
  240    HA   LEU  31           HA       LEU  31  -6.540   1.781  -2.320
  241   1HB   LEU  31          1HB       LEU  31  -4.524   3.170  -0.626
  242   2HB   LEU  31          2HB       LEU  31  -4.698   1.441  -0.441
  243    HG   LEU  31           HG       LEU  31  -2.861   2.206  -1.975
  244   1HD1  LEU  31          1HD1      LEU  31  -3.761  -0.072  -2.031
  245   2HD1  LEU  31          2HD1      LEU  31  -3.217   0.481  -3.613
  246   3HD1  LEU  31          3HD1      LEU  31  -4.939   0.439  -3.243
  247   1HD2  LEU  31          1HD2      LEU  31  -5.169   2.944  -3.763
  248   2HD2  LEU  31          2HD2      LEU  31  -3.481   2.838  -4.263
  249   3HD2  LEU  31          3HD2      LEU  31  -3.974   4.043  -3.075
  250    H    THR  32           H        THR  32  -6.995   0.020  -0.942
  251    HA   THR  32           HA       THR  32  -8.589   0.750   1.407
  252    HB   THR  32           HB       THR  32  -8.554  -1.917  -0.004
  253    HG1  THR  32           HG1      THR  32  -9.297  -0.611  -1.587
  254   1HG2  THR  32          1HG2      THR  32 -10.906  -1.938   0.993
  255   2HG2  THR  32          2HG2      THR  32 -10.377  -0.560   1.963
  256   3HG2  THR  32          3HG2      THR  32  -9.553  -2.116   2.112
  257    H    LEU  33           H        LEU  33  -7.820   0.218   3.397
  258    HA   LEU  33           HA       LEU  33  -5.270  -1.129   3.562
  259   1HB   LEU  33          1HB       LEU  33  -6.908   0.520   5.330
  260   2HB   LEU  33          2HB       LEU  33  -6.108  -0.805   6.156
  261    HG   LEU  33           HG       LEU  33  -4.778   1.356   4.529
  262   1HD1  LEU  33          1HD1      LEU  33  -3.770   1.959   6.690
  263   2HD1  LEU  33          2HD1      LEU  33  -4.793   0.760   7.480
  264   3HD1  LEU  33          3HD1      LEU  33  -5.522   2.147   6.670
  265   1HD2  LEU  33          1HD2      LEU  33  -3.619  -1.045   5.930
  266   2HD2  LEU  33          2HD2      LEU  33  -2.669   0.342   5.395
  267   3HD2  LEU  33          3HD2      LEU  33  -3.522  -0.653   4.213
  268    H    LEU  34           H        LEU  34  -4.887  -3.129   4.091
  269    HA   LEU  34           HA       LEU  34  -7.151  -4.829   4.903
  270   1HB   LEU  34          1HB       LEU  34  -4.592  -5.725   3.599
  271   2HB   LEU  34          2HB       LEU  34  -6.068  -6.639   3.794
  272    HG   LEU  34           HG       LEU  34  -5.758  -4.233   2.009
  273   1HD1  LEU  34          1HD1      LEU  34  -6.287  -6.423   0.441
  274   2HD1  LEU  34          2HD1      LEU  34  -5.156  -7.058   1.643
  275   3HD1  LEU  34          3HD1      LEU  34  -4.715  -5.654   0.660
  276   1HD2  LEU  34          1HD2      LEU  34  -7.937  -5.196   1.068
  277   2HD2  LEU  34          2HD2      LEU  34  -8.025  -4.318   2.595
  278   3HD2  LEU  34          3HD2      LEU  34  -8.053  -6.085   2.588
  279    H    ASN  35           H        ASN  35  -3.756  -4.075   5.419
  280    HA   ASN  35           HA       ASN  35  -3.897  -4.988   8.158
  281   1HB   ASN  35          1HB       ASN  35  -3.375  -7.056   6.851
  282   2HB   ASN  35          2HB       ASN  35  -1.914  -6.277   6.265
  283   1HD2  ASN  35          1HD2      ASN  35  -2.428  -8.695   7.950
  284   2HD2  ASN  35          2HD2      ASN  35  -1.444  -8.465   9.354
  285    H    SER  36           H        SER  36  -2.905  -3.436   9.279
  286    HA   SER  36           HA       SER  36  -0.593  -2.078   8.069
  287   1HB   SER  36          1HB       SER  36  -1.340  -0.103   9.514
  288   2HB   SER  36          2HB       SER  36  -2.357  -0.480   8.114
  289    HG   SER  36           HG       SER  36  -3.952  -0.985   9.409
  290    H    THR  37           H        THR  37  -0.639  -4.465   9.788
  291    HA   THR  37           HA       THR  37   0.076  -3.687  12.428
  292    HB   THR  37           HB       THR  37  -0.771  -5.977  11.589
  293    HG1  THR  37           HG1      THR  37   0.726  -5.220  13.712
  294   1HG2  THR  37          1HG2      THR  37   0.948  -6.563  10.012
  295   2HG2  THR  37          2HG2      THR  37   1.066  -7.659  11.388
  296   3HG2  THR  37          3HG2      THR  37   2.203  -6.323  11.227
  297    H    ASN  38           H        ASN  38   1.699  -3.542   9.503
  298    HA   ASN  38           HA       ASN  38   4.366  -3.645  10.722
  299   1HB   ASN  38          1HB       ASN  38   3.853  -4.939   8.608
  300   2HB   ASN  38          2HB       ASN  38   3.625  -3.401   7.796
  301   1HD2  ASN  38          1HD2      ASN  38   5.599  -5.595   7.363
  302   2HD2  ASN  38          2HD2      ASN  38   7.148  -4.832   7.445
  303    H    LYS  39           H        LYS  39   5.734  -1.782  10.552
  304    HA   LYS  39           HA       LYS  39   4.268   0.702  10.525
  305   1HB   LYS  39          1HB       LYS  39   6.835  -0.387  11.540
  306   2HB   LYS  39          2HB       LYS  39   6.813   1.304  11.157
  307   1HG   LYS  39          1HG       LYS  39   5.171   1.752  12.827
  308   2HG   LYS  39          2HG       LYS  39   4.868   0.018  13.048
  309   1HD   LYS  39          1HD       LYS  39   7.026  -0.309  13.986
  310   2HD   LYS  39          2HD       LYS  39   7.531   1.323  13.549
  311   1HE   LYS  39          1HE       LYS  39   5.913   2.257  15.107
  312   2HE   LYS  39          2HE       LYS  39   5.357   0.635  15.524
  313   1HZ   LYS  39          1HZ       LYS  39   8.173   1.491  15.880
  314   2HZ   LYS  39          2HZ       LYS  39   7.399   0.136  16.547
  315   3HZ   LYS  39          3HZ       LYS  39   7.004   1.695  17.092
  316    H    ASP  40           H        ASP  40   6.601  -1.009   8.622
  317    HA   ASP  40           HA       ASP  40   7.198   1.396   7.055
  318   1HB   ASP  40          1HB       ASP  40   8.497  -1.324   7.171
  319   2HB   ASP  40          2HB       ASP  40   8.932  -0.099   5.977
  320    H    TRP  41           H        TRP  41   5.498  -1.607   6.841
  321    HA   TRP  41           HA       TRP  41   4.818  -0.976   4.048
  322   1HB   TRP  41          1HB       TRP  41   5.398  -3.719   5.195
  323   2HB   TRP  41          2HB       TRP  41   4.738  -3.427   3.596
  324    HD1  TRP  41           HD1      TRP  41   7.981  -3.225   5.581
  325    HE1  TRP  41           HE1      TRP  41   9.945  -2.903   3.947
  326    HE3  TRP  41           HE3      TRP  41   5.334  -2.463   1.263
  327    HZ2  TRP  41           HZ2      TRP  41  10.315  -2.396   1.196
  328    HZ3  TRP  41           HZ3      TRP  41   6.570  -2.071  -0.821
  329    HH2  TRP  41           HH2      TRP  41   9.009  -2.040  -0.852
  330    H    TRP  42           H        TRP  42   2.682  -1.061   3.556
  331    HA   TRP  42           HA       TRP  42   0.895  -2.190   5.607
  332   1HB   TRP  42          1HB       TRP  42   0.698   0.378   4.054
  333   2HB   TRP  42          2HB       TRP  42  -0.767  -0.425   4.637
  334    HD1  TRP  42           HD1      TRP  42   1.829  -1.032   7.118
  335    HE1  TRP  42           HE1      TRP  42   1.640   0.580   9.104
  336    HE3  TRP  42           HE3      TRP  42  -1.345   2.379   5.080
  337    HZ2  TRP  42           HZ2      TRP  42   0.344   3.016   9.699
  338    HZ3  TRP  42           HZ3      TRP  42  -2.012   4.352   6.415
  339    HH2  TRP  42           HH2      TRP  42  -1.181   4.644   8.677
  340    H    LYS  43           H        LYS  43  -0.531  -3.666   4.927
  341    HA   LYS  43           HA       LYS  43  -0.457  -4.478   2.149
  342   1HB   LYS  43          1HB       LYS  43  -0.537  -6.084   4.109
  343   2HB   LYS  43          2HB       LYS  43  -2.198  -5.568   4.362
  344   1HG   LYS  43          1HG       LYS  43  -2.789  -6.353   2.114
  345   2HG   LYS  43          2HG       LYS  43  -1.132  -6.919   1.882
  346   1HD   LYS  43          1HD       LYS  43  -1.461  -8.314   3.963
  347   2HD   LYS  43          2HD       LYS  43  -3.169  -7.892   3.879
  348   1HE   LYS  43          1HE       LYS  43  -1.557  -9.442   1.848
  349   2HE   LYS  43          2HE       LYS  43  -2.873 -10.029   2.869
  350   1HZ   LYS  43          1HZ       LYS  43  -3.167  -8.011   0.719
  351   2HZ   LYS  43          2HZ       LYS  43  -4.413  -8.617   1.695
  352   3HZ   LYS  43          3HZ       LYS  43  -3.610  -9.642   0.610
  353    H    VAL  44           H        VAL  44  -1.800  -3.692   0.658
  354    HA   VAL  44           HA       VAL  44  -4.413  -2.677   1.531
  355    HB   VAL  44           HB       VAL  44  -4.171  -0.868  -0.213
  356   1HG1  VAL  44          1HG1      VAL  44  -2.238  -0.779   2.102
  357   2HG1  VAL  44          2HG1      VAL  44  -3.958  -0.393   2.173
  358   3HG1  VAL  44          3HG1      VAL  44  -2.866   0.615   1.223
  359   1HG2  VAL  44          1HG2      VAL  44  -1.913  -0.241  -0.896
  360   2HG2  VAL  44          2HG2      VAL  44  -2.326  -1.856  -1.468
  361   3HG2  VAL  44          3HG2      VAL  44  -1.263  -1.661  -0.074
  362    H    GLU  45           H        GLU  45  -5.864  -2.272  -0.323
  363    HA   GLU  45           HA       GLU  45  -5.585  -4.320  -2.424
  364   1HB   GLU  45          1HB       GLU  45  -7.212  -4.828  -0.542
  365   2HB   GLU  45          2HB       GLU  45  -8.147  -3.445  -1.083
  366   1HG   GLU  45          1HG       GLU  45  -8.757  -4.484  -3.082
  367   2HG   GLU  45          2HG       GLU  45  -7.489  -5.704  -2.932
  368    H    VAL  46           H        VAL  46  -5.490  -3.401  -4.382
  369    HA   VAL  46           HA       VAL  46  -6.858  -0.811  -4.810
  370    HB   VAL  46           HB       VAL  46  -5.240  -1.379  -7.036
  371   1HG1  VAL  46          1HG1      VAL  46  -4.284   0.716  -6.635
  372   2HG1  VAL  46          2HG1      VAL  46  -4.617   0.623  -4.907
  373   3HG1  VAL  46          3HG1      VAL  46  -5.947   0.806  -6.053
  374   1HG2  VAL  46          1HG2      VAL  46  -3.759  -1.773  -4.464
  375   2HG2  VAL  46          2HG2      VAL  46  -2.989  -1.416  -6.011
  376   3HG2  VAL  46          3HG2      VAL  46  -3.924  -2.900  -5.812
  377    H    ASN  47           H        ASN  47  -8.699  -1.138  -5.758
  378    HA   ASN  47           HA       ASN  47 -10.339  -1.740  -7.113
  379   1HB   ASN  47          1HB       ASN  47  -9.873  -2.097  -9.425
  380   2HB   ASN  47          2HB       ASN  47  -8.818  -0.861  -8.830
  381   1HD2  ASN  47          1HD2      ASN  47  -6.617  -1.128  -9.105
  382   2HD2  ASN  47          2HD2      ASN  47  -5.922  -2.509  -9.873
  383    H    ASP  48           H        ASP  48  -7.880  -4.169  -7.496
  384    HA   ASP  48           HA       ASP  48  -9.666  -6.265  -6.547
  385   1HB   ASP  48          1HB       ASP  48 -10.217  -6.039  -8.967
  386   2HB   ASP  48          2HB       ASP  48  -8.536  -6.379  -9.359
  387    H    ARG  49           H        ARG  49  -6.614  -4.957  -6.974
  388    HA   ARG  49           HA       ARG  49  -5.198  -7.508  -6.725
  389   1HB   ARG  49          1HB       ARG  49  -4.142  -4.709  -7.170
  390   2HB   ARG  49          2HB       ARG  49  -3.157  -6.160  -7.099
  391   1HG   ARG  49          1HG       ARG  49  -5.284  -5.605  -9.169
  392   2HG   ARG  49          2HG       ARG  49  -3.551  -5.399  -9.397
  393   1HD   ARG  49          1HD       ARG  49  -3.878  -7.473 -10.317
  394   2HD   ARG  49          2HD       ARG  49  -3.440  -7.896  -8.664
  395    HE   ARG  49           HE       ARG  49  -6.272  -7.724  -9.474
  396   1HH1  ARG  49          1HH1      ARG  49  -3.560  -9.481  -8.136
  397   2HH1  ARG  49          2HH1      ARG  49  -4.491 -10.894  -7.742
  398   1HH2  ARG  49          1HH2      ARG  49  -7.537  -9.567  -8.912
  399   2HH2  ARG  49          2HH2      ARG  49  -6.758 -10.930  -8.154
  400    H    GLN  50           H        GLN  50  -4.414  -8.191  -4.846
  401    HA   GLN  50           HA       GLN  50  -4.360  -6.289  -2.603
  402   1HB   GLN  50          1HB       GLN  50  -4.821  -9.259  -2.722
  403   2HB   GLN  50          2HB       GLN  50  -4.278  -8.497  -1.236
  404   1HG   GLN  50          1HG       GLN  50  -6.322  -6.964  -1.512
  405   2HG   GLN  50          2HG       GLN  50  -6.874  -8.165  -2.683
  406   1HE2  GLN  50          1HE2      GLN  50  -8.659  -8.264  -1.019
  407   2HE2  GLN  50          2HE2      GLN  50  -8.446  -9.389   0.285
  408    H    GLY  51           H        GLY  51  -2.519  -5.869  -1.583
  409   1HA   GLY  51          1HA       GLY  51  -0.383  -7.542  -1.274
  410   2HA   GLY  51          2HA       GLY  51   0.007  -6.685  -2.691
  411    H    PHE  52           H        PHE  52   1.822  -6.118  -1.181
  412    HA   PHE  52           HA       PHE  52   1.120  -4.164   0.861
  413   1HB   PHE  52          1HB       PHE  52   3.603  -5.740   0.251
  414   2HB   PHE  52          2HB       PHE  52   3.585  -4.430   1.434
  415    HD1  PHE  52           HD1      PHE  52   3.060  -4.885   3.612
  416    HD2  PHE  52           HD2      PHE  52   1.793  -7.590   0.565
  417    HE1  PHE  52           HE1      PHE  52   2.253  -6.448   5.338
  418    HE2  PHE  52           HE2      PHE  52   0.991  -9.159   2.296
  419    HZ   PHE  52           HZ       PHE  52   1.219  -8.586   4.681
  420    H    VAL  53           H        VAL  53   2.004  -2.179   1.051
  421    HA   VAL  53           HA       VAL  53   3.698  -1.093  -1.076
  422    HB   VAL  53           HB       VAL  53   2.359   0.925  -1.274
  423   1HG1  VAL  53          1HG1      VAL  53   0.386   0.072  -2.394
  424   2HG1  VAL  53          2HG1      VAL  53   0.593  -1.485  -1.590
  425   3HG1  VAL  53          3HG1      VAL  53   1.790  -0.933  -2.763
  426   1HG2  VAL  53          1HG2      VAL  53   0.508  -0.373   0.724
  427   2HG2  VAL  53          2HG2      VAL  53   0.133   1.086  -0.193
  428   3HG2  VAL  53          3HG2      VAL  53   1.471   1.088   0.958
  429    HA   PRO  54           HA       PRO  54   5.825   0.928   2.274
  430   1HB   PRO  54          1HB       PRO  54   5.603   3.467   0.733
  431   2HB   PRO  54          2HB       PRO  54   7.052   2.661   1.353
  432   1HG   PRO  54          1HG       PRO  54   6.506   2.589  -1.235
  433   2HG   PRO  54          2HG       PRO  54   7.098   1.129  -0.416
  434   1HD   PRO  54          1HD       PRO  54   4.298   1.850  -1.221
  435   2HD   PRO  54          2HD       PRO  54   5.149   0.298  -1.379
  436    H    ALA  55           H        ALA  55   4.989   1.645   4.172
  437    HA   ALA  55           HA       ALA  55   2.384   2.757   4.353
  438   1HB   ALA  55          1HB       ALA  55   2.980   3.140   6.744
  439   2HB   ALA  55          2HB       ALA  55   4.609   2.576   6.371
  440   3HB   ALA  55          3HB       ALA  55   3.231   1.485   6.188
  441    H    ALA  56           H        ALA  56   5.520   4.117   3.931
  442    HA   ALA  56           HA       ALA  56   4.853   6.786   4.767
  443   1HB   ALA  56          1HB       ALA  56   7.166   5.981   3.012
  444   2HB   ALA  56          2HB       ALA  56   7.177   5.783   4.768
  445   3HB   ALA  56          3HB       ALA  56   7.031   7.393   4.064
  446    H    TYR  57           H        TYR  57   3.876   4.985   2.218
  447    HA   TYR  57           HA       TYR  57   3.818   7.262   0.325
  448   1HB   TYR  57          1HB       TYR  57   3.792   4.281  -0.057
  449   2HB   TYR  57          2HB       TYR  57   3.087   5.328  -1.288
  450    HD1  TYR  57           HD1      TYR  57   4.457   5.526  -3.094
  451    HD2  TYR  57           HD2      TYR  57   6.223   5.467   0.777
  452    HE1  TYR  57           HE1      TYR  57   6.668   5.843  -4.107
  453    HE2  TYR  57           HE2      TYR  57   8.438   5.803  -0.219
  454    HH   TYR  57           HH       TYR  57   9.563   6.313  -2.121
  455    H    VAL  58           H        VAL  58   1.980   5.969   2.637
  456    HA   VAL  58           HA       VAL  58  -0.495   6.594   1.221
  457    HB   VAL  58           HB       VAL  58   0.349   4.007   2.043
  458   1HG1  VAL  58          1HG1      VAL  58  -2.033   5.043   3.525
  459   2HG1  VAL  58          2HG1      VAL  58  -0.582   4.276   4.171
  460   3HG1  VAL  58          3HG1      VAL  58  -1.740   3.329   3.232
  461   1HG2  VAL  58          1HG2      VAL  58  -0.805   4.571  -0.035
  462   2HG2  VAL  58          2HG2      VAL  58  -2.275   4.900   0.884
  463   3HG2  VAL  58          3HG2      VAL  58  -1.600   3.269   0.848
  464    H    LYS  59           H        LYS  59  -2.183   7.388   2.545
  465    HA   LYS  59           HA       LYS  59  -1.470   7.960   5.348
  466   1HB   LYS  59          1HB       LYS  59  -1.079  10.072   4.499
  467   2HB   LYS  59          2HB       LYS  59  -2.164   9.830   3.139
  468   1HG   LYS  59          1HG       LYS  59  -3.833   9.854   5.357
  469   2HG   LYS  59          2HG       LYS  59  -2.641  11.119   5.669
  470   1HD   LYS  59          1HD       LYS  59  -3.327  12.391   3.904
  471   2HD   LYS  59          2HD       LYS  59  -3.801  10.989   2.943
  472   1HE   LYS  59          1HE       LYS  59  -5.763  12.268   3.579
  473   2HE   LYS  59          2HE       LYS  59  -5.776  10.692   4.371
  474   1HZ   LYS  59          1HZ       LYS  59  -6.414  12.462   5.887
  475   2HZ   LYS  59          2HZ       LYS  59  -4.931  13.247   5.634
  476   3HZ   LYS  59          3HZ       LYS  59  -4.970  11.733   6.391
  477    H    LYS  60           H        LYS  60  -3.066   7.758   6.808
  478    HA   LYS  60           HA       LYS  60  -5.418   6.321   6.250
  479   1HB   LYS  60          1HB       LYS  60  -4.298   7.658   8.620
  480   2HB   LYS  60          2HB       LYS  60  -6.037   7.766   8.546
  481   1HG   LYS  60          1HG       LYS  60  -5.308   5.910   9.912
  482   2HG   LYS  60          2HG       LYS  60  -6.226   5.348   8.523
  483   1HD   LYS  60          1HD       LYS  60  -4.424   4.368   7.575
  484   2HD   LYS  60          2HD       LYS  60  -3.280   5.502   8.263
  485   1HE   LYS  60          1HE       LYS  60  -3.178   3.136   9.201
  486   2HE   LYS  60          2HE       LYS  60  -3.377   4.391  10.390
  487   1HZ   LYS  60          1HZ       LYS  60  -5.592   2.741   9.313
  488   2HZ   LYS  60          2HZ       LYS  60  -5.708   3.911  10.533
  489   3HZ   LYS  60          3HZ       LYS  60  -4.815   2.500  10.802
  490    H    LEU  61           H        LEU  61  -7.287   6.932   5.352
  491    HA   LEU  61           HA       LEU  61  -7.795   9.770   4.936
  492   1HB   LEU  61          1HB       LEU  61  -9.074   7.247   3.961
  493   2HB   LEU  61          2HB       LEU  61  -9.924   8.772   3.816
  494    HG   LEU  61           HG       LEU  61  -7.163   8.386   2.690
  495   1HD1  LEU  61          1HD1      LEU  61  -8.168   7.834   0.574
  496   2HD1  LEU  61          2HD1      LEU  61  -9.785   7.958   1.274
  497   3HD1  LEU  61          3HD1      LEU  61  -8.695   6.673   1.794
  498   1HD2  LEU  61          1HD2      LEU  61  -9.368  10.394   2.362
  499   2HD2  LEU  61          2HD2      LEU  61  -8.147  10.170   1.112
  500   3HD2  LEU  61          3HD2      LEU  61  -7.665  10.668   2.732
  501    H    ASP  62           H        ASP  62  -8.610   7.368   7.138
  502    HA   ASP  62           HA       ASP  62 -10.871   8.946   8.167
  503   1HB   ASP  62          1HB       ASP  62 -11.347   6.552   7.371
  504   2HB   ASP  62          2HB       ASP  62 -10.404   6.026   8.763
  505   1H    ACE   0          1H        ACE   0   3.322 -11.498   1.833
  506   2H    ACE   0          2H        ACE   0   3.222 -11.738   3.576
  507   3H    ACE   0          3H        ACE   0   4.666 -12.276   2.722
  508    H    ALA   1           H        ALA   1   4.358 -10.387   4.957
  509    HA   ALA   1           HA       ALA   1   4.756  -7.740   4.007
  510   1HB   ALA   1          1HB       ALA   1   5.450  -7.239   6.293
  511   2HB   ALA   1          2HB       ALA   1   5.536  -8.963   6.650
  512   3HB   ALA   1          3HB       ALA   1   3.981  -8.217   6.276
  513    HA   PRO   2           HA       PRO   2   8.901  -8.281   2.427
  514   1HB   PRO   2          1HB       PRO   2   8.843  -5.315   2.643
  515   2HB   PRO   2          2HB       PRO   2   9.257  -6.337   1.261
  516   1HG   PRO   2          1HG       PRO   2   6.929  -5.066   1.333
  517   2HG   PRO   2          2HG       PRO   2   7.036  -6.725   0.714
  518   1HD   PRO   2          1HD       PRO   2   6.053  -5.753   3.371
  519   2HD   PRO   2          2HD       PRO   2   5.405  -7.038   2.330
  520    H    SER   3           H        SER   3  10.505  -8.851   3.721
  521    HA   SER   3           HA       SER   3  10.828  -7.628   6.323
  522   1HB   SER   3          1HB       SER   3  12.639  -9.738   5.186
  523   2HB   SER   3          2HB       SER   3  12.153  -9.479   6.861
  524    HG   SER   3           HG       SER   3   9.983 -10.073   6.148
  525    H    TYR   4           H        TYR   4  11.325  -5.623   4.772
  526    HA   TYR   4           HA       TYR   4  14.058  -5.006   5.240
  527   1HB   TYR   4          1HB       TYR   4  14.580  -4.434   2.830
  528   2HB   TYR   4          2HB       TYR   4  14.578  -6.142   3.230
  529    HD1  TYR   4           HD1      TYR   4  12.835  -3.471   1.410
  530    HD2  TYR   4           HD2      TYR   4  12.943  -7.635   2.270
  531    HE1  TYR   4           HE1      TYR   4  11.313  -3.894  -0.473
  532    HE2  TYR   4           HE2      TYR   4  11.422  -8.068   0.387
  533    HH   TYR   4           HH       TYR   4   9.556  -6.504  -0.878
  534    H    SER   5           H        SER   5  14.560  -2.751   4.278
  535    HA   SER   5           HA       SER   5  12.479  -1.014   5.179
  536   1HB   SER   5          1HB       SER   5  15.089  -0.284   3.838
  537   2HB   SER   5          2HB       SER   5  14.087   0.761   4.846
  538    HG   SER   5           HG       SER   5  14.994  -0.058   6.549
  539    HA   PRO   6           HA       PRO   6  10.640  -0.265   1.210
  540   1HB   PRO   6          1HB       PRO   6   8.985   1.728   1.925
  541   2HB   PRO   6          2HB       PRO   6   8.720   0.063   2.455
  542   1HG   PRO   6          1HG       PRO   6   9.893   2.366   3.949
  543   2HG   PRO   6          2HG       PRO   6   8.785   1.105   4.518
  544   1HD   PRO   6          1HD       PRO   6  11.505   1.103   4.956
  545   2HD   PRO   6          2HD       PRO   6  10.486  -0.349   4.965
  546    HA   PRO   7           HA       PRO   7  12.834   3.040  -0.725
  547   1HB   PRO   7          1HB       PRO   7  10.945   3.984  -2.477
  548   2HB   PRO   7          2HB       PRO   7  11.904   2.526  -2.743
  549   1HG   PRO   7          1HG       PRO   7   9.110   2.793  -1.711
  550   2HG   PRO   7          2HG       PRO   7   9.772   1.616  -2.860
  551   1HD   PRO   7          1HD       PRO   7   9.328   0.984  -0.289
  552   2HD   PRO   7          2HD       PRO   7  10.710   0.323  -1.188
  553    HA   PRO   8           HA       PRO   8  11.738   6.672   1.581
  554   1HB   PRO   8          1HB       PRO   8  13.351   8.438   0.232
  555   2HB   PRO   8          2HB       PRO   8  13.924   7.349   1.500
  556   1HG   PRO   8          1HG       PRO   8  14.077   7.051  -1.471
  557   2HG   PRO   8          2HG       PRO   8  15.296   6.665  -0.240
  558   1HD   PRO   8          1HD       PRO   8  13.784   4.763  -1.399
  559   2HD   PRO   8          2HD       PRO   8  14.293   4.652   0.299
  560    HA   PRO   9           HA       PRO   9   8.544   8.490  -0.886
  561   1HB   PRO   9          1HB       PRO   9   8.746  10.801   0.941
  562   2HB   PRO   9          2HB       PRO   9   7.372   9.738   0.621
  563   1HG   PRO   9          1HG       PRO   9   8.714   9.602   2.928
  564   2HG   PRO   9          2HG       PRO   9   8.084   8.143   2.142
  565   1HD   PRO   9          1HD       PRO   9  10.881   9.219   2.172
  566   2HD   PRO   9          2HD       PRO   9  10.316   7.542   2.347
  567    HA   PRO  10           HA       PRO  10  10.932  11.386  -3.310
  568   1HB   PRO  10          1HB       PRO  10   9.134  11.153  -5.464
  569   2HB   PRO  10          2HB       PRO  10  10.608  10.214  -5.223
  570   1HG   PRO  10          1HG       PRO  10   7.966   9.241  -5.159
  571   2HG   PRO  10          2HG       PRO  10   9.424   8.376  -4.652
  572   1HD   PRO  10          1HD       PRO  10   7.396   9.798  -3.007
  573   2HD   PRO  10          2HD       PRO  10   8.388   8.379  -2.608
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1 -20.641  -7.508  -3.664
    2   2H    MET   1          2H        MET   1 -20.503  -5.821  -3.743
    3   3H    MET   1          3H        MET   1 -20.218  -6.628  -2.279
    4    HA   MET   1           HA       MET   1 -18.222  -7.531  -2.989
    5   1HB   MET   1          1HB       MET   1 -19.117  -6.721  -5.755
    6   2HB   MET   1          2HB       MET   1 -17.483  -7.247  -5.383
    7   1HG   MET   1          1HG       MET   1 -19.989  -8.870  -5.016
    8   2HG   MET   1          2HG       MET   1 -18.808  -9.058  -6.310
    9   1HE   MET   1          1HE       MET   1 -18.757 -11.616  -5.732
   10   2HE   MET   1          2HE       MET   1 -19.808 -11.464  -4.324
   11   3HE   MET   1          3HE       MET   1 -18.255 -12.286  -4.180
   12    H    ASP   2           H        ASP   2 -18.381  -5.359  -1.559
   13    HA   ASP   2           HA       ASP   2 -17.075  -3.205  -3.087
   14   1HB   ASP   2          1HB       ASP   2 -18.035  -2.837  -0.239
   15   2HB   ASP   2          2HB       ASP   2 -17.650  -1.623  -1.445
   16    H    GLU   3           H        GLU   3 -15.206  -4.567  -3.140
   17    HA   GLU   3           HA       GLU   3 -13.709  -5.226  -0.808
   18   1HB   GLU   3          1HB       GLU   3 -12.535  -4.555  -3.589
   19   2HB   GLU   3          2HB       GLU   3 -11.578  -5.175  -2.254
   20   1HG   GLU   3          1HG       GLU   3 -12.379  -6.828  -4.015
   21   2HG   GLU   3          2HG       GLU   3 -12.559  -7.269  -2.321
   22    H    THR   4           H        THR   4 -14.291  -2.141  -2.106
   23    HA   THR   4           HA       THR   4 -12.043  -1.018  -0.614
   24    HB   THR   4           HB       THR   4 -12.422  -0.249  -3.044
   25    HG1  THR   4           HG1      THR   4 -11.234   0.853  -1.193
   26   1HG2  THR   4          1HG2      THR   4 -13.988   1.920  -2.845
   27   2HG2  THR   4          2HG2      THR   4 -14.850   0.862  -1.731
   28   3HG2  THR   4          3HG2      THR   4 -14.598   0.366  -3.406
   29    H    GLY   5           H        GLY   5 -14.657  -2.100   0.347
   30   1HA   GLY   5          1HA       GLY   5 -15.786   0.258   1.684
   31   2HA   GLY   5          2HA       GLY   5 -16.489  -1.356   1.667
   32    H    LYS   6           H        LYS   6 -13.292  -0.110   2.545
   33    HA   LYS   6           HA       LYS   6 -13.628  -1.046   5.265
   34   1HB   LYS   6          1HB       LYS   6 -11.159  -1.731   3.626
   35   2HB   LYS   6          2HB       LYS   6 -11.535  -2.200   5.248
   36   1HG   LYS   6          1HG       LYS   6 -13.016  -3.853   4.601
   37   2HG   LYS   6          2HG       LYS   6 -13.279  -3.145   3.018
   38   1HD   LYS   6          1HD       LYS   6 -10.798  -3.627   2.601
   39   2HD   LYS   6          2HD       LYS   6 -10.907  -4.683   4.008
   40   1HE   LYS   6          1HE       LYS   6 -12.580  -6.026   2.954
   41   2HE   LYS   6          2HE       LYS   6 -12.733  -4.883   1.620
   42   1HZ   LYS   6          1HZ       LYS   6 -10.517  -5.438   0.890
   43   2HZ   LYS   6          2HZ       LYS   6 -11.423  -6.860   1.038
   44   3HZ   LYS   6          3HZ       LYS   6 -10.285  -6.458   2.228
   45    H    GLU   7           H        GLU   7 -11.054  -0.530   6.111
   46    HA   GLU   7           HA       GLU   7 -10.975   2.233   6.457
   47   1HB   GLU   7          1HB       GLU   7  -9.648   0.124   7.525
   48   2HB   GLU   7          2HB       GLU   7  -8.383   0.793   6.510
   49   1HG   GLU   7          1HG       GLU   7  -8.382   2.832   7.676
   50   2HG   GLU   7          2HG       GLU   7  -9.912   2.461   8.479
   51    H    LEU   8           H        LEU   8 -10.439   3.830   5.054
   52    HA   LEU   8           HA       LEU   8  -9.032   3.024   2.618
   53   1HB   LEU   8          1HB       LEU   8 -10.737   5.418   3.229
   54   2HB   LEU   8          2HB       LEU   8  -9.865   5.200   1.720
   55    HG   LEU   8           HG       LEU   8 -11.910   3.260   2.766
   56   1HD1  LEU   8          1HD1      LEU   8 -13.410   4.167   1.028
   57   2HD1  LEU   8          2HD1      LEU   8 -12.241   5.448   0.721
   58   3HD1  LEU   8          3HD1      LEU   8 -13.042   5.340   2.291
   59   1HD2  LEU   8          1HD2      LEU   8 -10.348   2.214   1.285
   60   2HD2  LEU   8          2HD2      LEU   8 -10.545   3.509   0.101
   61   3HD2  LEU   8          3HD2      LEU   8 -11.887   2.418   0.446
   62    H    VAL   9           H        VAL   9  -7.384   4.090   1.759
   63    HA   VAL   9           HA       VAL   9  -5.999   6.109   3.391
   64    HB   VAL   9           HB       VAL   9  -3.832   5.008   2.475
   65   1HG1  VAL   9          1HG1      VAL   9  -4.116   5.148   4.774
   66   2HG1  VAL   9          2HG1      VAL   9  -3.813   3.437   4.461
   67   3HG1  VAL   9          3HG1      VAL   9  -5.458   4.002   4.771
   68   1HG2  VAL   9          1HG2      VAL   9  -4.837   3.379   1.034
   69   2HG2  VAL   9          2HG2      VAL   9  -5.735   2.682   2.382
   70   3HG2  VAL   9          3HG2      VAL   9  -3.977   2.553   2.334
   71    H    LEU  10           H        LEU  10  -4.453   7.354   2.185
   72    HA   LEU  10           HA       LEU  10  -5.254   7.640  -0.636
   73   1HB   LEU  10          1HB       LEU  10  -5.780   9.594   0.714
   74   2HB   LEU  10          2HB       LEU  10  -4.129   9.666   1.299
   75    HG   LEU  10           HG       LEU  10  -3.564   9.913  -1.261
   76   1HD1  LEU  10          1HD1      LEU  10  -5.377  11.375  -2.289
   77   2HD1  LEU  10          2HD1      LEU  10  -6.457  10.687  -1.076
   78   3HD1  LEU  10          3HD1      LEU  10  -5.665   9.635  -2.250
   79   1HD2  LEU  10          1HD2      LEU  10  -4.682  12.130   0.450
   80   2HD2  LEU  10          2HD2      LEU  10  -3.683  12.357  -0.986
   81   3HD2  LEU  10          3HD2      LEU  10  -3.016  11.550   0.435
   82    H    ALA  11           H        ALA  11  -3.738   7.462  -2.187
   83    HA   ALA  11           HA       ALA  11  -1.096   6.617  -1.392
   84   1HB   ALA  11          1HB       ALA  11  -2.559   5.733  -3.365
   85   2HB   ALA  11          2HB       ALA  11  -0.812   5.871  -3.567
   86   3HB   ALA  11          3HB       ALA  11  -1.878   7.106  -4.242
   87    H    LEU  12           H        LEU  12   0.254   8.195  -0.767
   88    HA   LEU  12           HA       LEU  12   0.120  10.880  -1.611
   89   1HB   LEU  12          1HB       LEU  12   2.109   9.256  -0.066
   90   2HB   LEU  12          2HB       LEU  12   2.482  10.911  -0.538
   91    HG   LEU  12           HG       LEU  12   0.356  11.610   0.616
   92   1HD1  LEU  12          1HD1      LEU  12  -0.821   9.554   0.715
   93   2HD1  LEU  12          2HD1      LEU  12  -0.476  10.074   2.367
   94   3HD1  LEU  12          3HD1      LEU  12   0.483   8.790   1.628
   95   1HD2  LEU  12          1HD2      LEU  12   2.520  11.995   1.649
   96   2HD2  LEU  12          2HD2      LEU  12   2.546  10.340   2.263
   97   3HD2  LEU  12          3HD2      LEU  12   1.361  11.492   2.881
   98    H    TYR  13           H        TYR  13   2.083   8.156  -2.698
   99    HA   TYR  13           HA       TYR  13   3.000   9.821  -4.923
  100   1HB   TYR  13          1HB       TYR  13   4.986   7.925  -3.743
  101   2HB   TYR  13          2HB       TYR  13   5.261   9.411  -4.641
  102    HD1  TYR  13           HD1      TYR  13   5.101  11.598  -3.491
  103    HD2  TYR  13           HD2      TYR  13   4.805   7.927  -1.368
  104    HE1  TYR  13           HE1      TYR  13   5.539  12.790  -1.386
  105    HE2  TYR  13           HE2      TYR  13   5.241   9.104   0.744
  106    HH   TYR  13           HH       TYR  13   5.102  12.489   1.022
  107    H    ASP  14           H        ASP  14   4.132   8.398  -6.587
  108    HA   ASP  14           HA       ASP  14   2.414   6.172  -7.188
  109   1HB   ASP  14          1HB       ASP  14   3.088   7.769  -8.954
  110   2HB   ASP  14          2HB       ASP  14   4.773   7.333  -8.701
  111    H    TYR  15           H        TYR  15   3.001   4.074  -7.130
  112    HA   TYR  15           HA       TYR  15   5.755   3.431  -6.357
  113   1HB   TYR  15          1HB       TYR  15   4.457   3.538  -4.279
  114   2HB   TYR  15          2HB       TYR  15   3.295   2.388  -4.934
  115    HD1  TYR  15           HD1      TYR  15   3.535   0.164  -4.339
  116    HD2  TYR  15           HD2      TYR  15   6.970   2.673  -4.332
  117    HE1  TYR  15           HE1      TYR  15   4.885  -1.693  -3.455
  118    HE2  TYR  15           HE2      TYR  15   8.324   0.828  -3.465
  119    HH   TYR  15           HH       TYR  15   7.180  -2.406  -3.309
  120    H    GLN  16           H        GLN  16   6.474   1.396  -6.973
  121    HA   GLN  16           HA       GLN  16   4.710  -0.118  -8.796
  122   1HB   GLN  16          1HB       GLN  16   7.368   1.022  -9.131
  123   2HB   GLN  16          2HB       GLN  16   7.426  -0.713  -9.317
  124   1HG   GLN  16          1HG       GLN  16   5.851   1.274 -10.945
  125   2HG   GLN  16          2HG       GLN  16   7.175   0.241 -11.465
  126   1HE2  GLN  16          1HE2      GLN  16   6.371  -2.165 -10.293
  127   2HE2  GLN  16          2HE2      GLN  16   4.946  -2.718 -11.115
  128    H    GLU  17           H        GLU  17   4.395  -2.203  -8.284
  129    HA   GLU  17           HA       GLU  17   5.241  -3.269  -5.815
  130   1HB   GLU  17          1HB       GLU  17   4.210  -5.359  -6.601
  131   2HB   GLU  17          2HB       GLU  17   3.178  -3.962  -6.883
  132   1HG   GLU  17          1HG       GLU  17   4.189  -3.953  -9.242
  133   2HG   GLU  17          2HG       GLU  17   4.722  -5.589  -8.859
  134    H    LYS  18           H        LYS  18   6.872  -4.616  -5.219
  135    HA   LYS  18           HA       LYS  18   8.869  -5.211  -7.302
  136   1HB   LYS  18          1HB       LYS  18   9.207  -5.206  -4.300
  137   2HB   LYS  18          2HB       LYS  18  10.484  -5.445  -5.486
  138   1HG   LYS  18          1HG       LYS  18  10.145  -3.159  -6.322
  139   2HG   LYS  18          2HG       LYS  18   8.849  -2.920  -5.151
  140   1HD   LYS  18          1HD       LYS  18  11.596  -3.707  -4.233
  141   2HD   LYS  18          2HD       LYS  18  11.229  -2.031  -4.631
  142   1HE   LYS  18          1HE       LYS  18  10.926  -2.315  -2.273
  143   2HE   LYS  18          2HE       LYS  18   9.334  -2.125  -3.011
  144   1HZ   LYS  18          1HZ       LYS  18   9.517  -3.904  -1.306
  145   2HZ   LYS  18          2HZ       LYS  18  10.515  -4.765  -2.364
  146   3HZ   LYS  18          3HZ       LYS  18   8.910  -4.421  -2.799
  147    H    SER  19           H        SER  19   7.019  -6.776  -4.704
  148    HA   SER  19           HA       SER  19   8.015  -9.357  -5.698
  149   1HB   SER  19          1HB       SER  19   7.561 -10.223  -3.409
  150   2HB   SER  19          2HB       SER  19   8.750  -8.917  -3.408
  151    HG   SER  19           HG       SER  19   7.265  -7.532  -2.564
  152    HA   PRO  20           HA       PRO  20   3.886 -10.704  -6.634
  153   1HB   PRO  20          1HB       PRO  20   4.190 -13.011  -4.787
  154   2HB   PRO  20          2HB       PRO  20   3.836 -13.000  -6.521
  155   1HG   PRO  20          1HG       PRO  20   6.227 -13.724  -5.685
  156   2HG   PRO  20          2HG       PRO  20   6.078 -12.642  -7.088
  157   1HD   PRO  20          1HD       PRO  20   6.674 -11.947  -4.227
  158   2HD   PRO  20          2HD       PRO  20   7.522 -11.417  -5.701
  159    H    ALA  21           H        ALA  21   4.779 -10.069  -3.433
  160    HA   ALA  21           HA       ALA  21   1.999 -10.166  -2.497
  161   1HB   ALA  21          1HB       ALA  21   3.443 -11.470  -1.086
  162   2HB   ALA  21          2HB       ALA  21   2.985 -10.005  -0.214
  163   3HB   ALA  21          3HB       ALA  21   4.584 -10.132  -0.948
  164    H    GLU  22           H        GLU  22   3.367  -8.189  -4.199
  165    HA   GLU  22           HA       GLU  22   2.901  -5.806  -2.536
  166   1HB   GLU  22          1HB       GLU  22   5.205  -6.506  -4.218
  167   2HB   GLU  22          2HB       GLU  22   4.526  -4.925  -4.574
  168   1HG   GLU  22          1HG       GLU  22   4.984  -4.114  -2.464
  169   2HG   GLU  22          2HG       GLU  22   5.167  -5.724  -1.764
  170    H    VAL  23           H        VAL  23   1.986  -3.986  -3.681
  171    HA   VAL  23           HA       VAL  23   0.845  -4.668  -6.297
  172    HB   VAL  23           HB       VAL  23  -1.249  -3.366  -5.520
  173   1HG1  VAL  23          1HG1      VAL  23  -2.263  -5.445  -4.621
  174   2HG1  VAL  23          2HG1      VAL  23  -0.652  -6.163  -4.622
  175   3HG1  VAL  23          3HG1      VAL  23  -1.395  -5.651  -6.140
  176   1HG2  VAL  23          1HG2      VAL  23   0.195  -3.609  -3.014
  177   2HG2  VAL  23          2HG2      VAL  23  -1.437  -4.263  -2.930
  178   3HG2  VAL  23          3HG2      VAL  23  -1.183  -2.595  -3.437
  179    H    THR  24           H        THR  24   0.528  -3.003  -7.703
  180    HA   THR  24           HA       THR  24   2.174  -0.675  -7.204
  181    HB   THR  24           HB       THR  24   0.705  -1.594  -9.677
  182    HG1  THR  24           HG1      THR  24   2.376  -2.955  -9.387
  183   1HG2  THR  24          1HG2      THR  24   0.973   0.818  -9.766
  184   2HG2  THR  24          2HG2      THR  24   2.085   0.044 -10.894
  185   3HG2  THR  24          3HG2      THR  24   2.681   0.661  -9.353
  186    H    MET  25           H        MET  25   1.491   1.347  -6.868
  187    HA   MET  25           HA       MET  25  -1.386   1.923  -7.095
  188   1HB   MET  25          1HB       MET  25  -1.328   3.203  -5.033
  189   2HB   MET  25          2HB       MET  25  -0.779   1.556  -4.720
  190   1HG   MET  25          1HG       MET  25   1.473   2.233  -4.527
  191   2HG   MET  25          2HG       MET  25   1.131   3.822  -5.222
  192   1HE   MET  25          1HE       MET  25  -1.431   2.321  -2.812
  193   2HE   MET  25          2HE       MET  25  -0.840   2.754  -1.209
  194   3HE   MET  25          3HE       MET  25  -0.009   1.513  -2.152
  195    H    LYS  26           H        LYS  26  -1.808   4.313  -7.096
  196    HA   LYS  26           HA       LYS  26   0.401   5.806  -8.329
  197   1HB   LYS  26          1HB       LYS  26  -2.307   5.294  -9.515
  198   2HB   LYS  26          2HB       LYS  26  -1.567   6.866  -9.762
  199   1HG   LYS  26          1HG       LYS  26  -0.998   5.593 -11.642
  200   2HG   LYS  26          2HG       LYS  26   0.456   5.642 -10.644
  201   1HD   LYS  26          1HD       LYS  26  -0.098   3.409  -9.768
  202   2HD   LYS  26          2HD       LYS  26  -1.523   3.366 -10.808
  203   1HE   LYS  26          1HE       LYS  26   0.439   2.130 -11.719
  204   2HE   LYS  26          2HE       LYS  26  -0.171   3.400 -12.779
  205   1HZ   LYS  26          1HZ       LYS  26   1.922   4.236 -10.952
  206   2HZ   LYS  26          2HZ       LYS  26   1.719   4.566 -12.603
  207   3HZ   LYS  26          3HZ       LYS  26   2.405   3.095 -12.116
  208    H    LYS  27           H        LYS  27   0.388   8.015  -7.953
  209    HA   LYS  27           HA       LYS  27  -0.672   8.885  -5.514
  210   1HB   LYS  27          1HB       LYS  27   1.136  10.176  -6.126
  211   2HB   LYS  27          2HB       LYS  27   0.678  10.214  -7.821
  212   1HG   LYS  27          1HG       LYS  27   0.411  12.412  -7.115
  213   2HG   LYS  27          2HG       LYS  27  -1.225  11.758  -7.085
  214   1HD   LYS  27          1HD       LYS  27  -1.070  11.418  -4.683
  215   2HD   LYS  27          2HD       LYS  27   0.594  12.008  -4.693
  216   1HE   LYS  27          1HE       LYS  27  -0.487  14.121  -5.804
  217   2HE   LYS  27          2HE       LYS  27  -1.962  13.510  -5.052
  218   1HZ   LYS  27          1HZ       LYS  27  -0.776  13.504  -2.911
  219   2HZ   LYS  27          2HZ       LYS  27  -0.887  15.053  -3.582
  220   3HZ   LYS  27          3HZ       LYS  27   0.574  14.199  -3.664
  221    H    GLY  28           H        GLY  28  -2.586   9.645  -4.926
  222   1HA   GLY  28          1HA       GLY  28  -4.532  11.045  -5.259
  223   2HA   GLY  28          2HA       GLY  28  -4.345  10.799  -6.995
  224    H    ASP  29           H        ASP  29  -3.840   7.860  -5.694
  225    HA   ASP  29           HA       ASP  29  -6.552   7.020  -6.331
  226   1HB   ASP  29          1HB       ASP  29  -3.988   5.878  -6.729
  227   2HB   ASP  29          2HB       ASP  29  -4.846   4.830  -5.593
  228    H    ILE  30           H        ILE  30  -7.863   5.918  -4.930
  229    HA   ILE  30           HA       ILE  30  -7.151   6.221  -2.109
  230    HB   ILE  30           HB       ILE  30  -9.788   5.945  -3.541
  231   1HG1  ILE  30          1HG1      ILE  30 -10.384   7.938  -2.269
  232   2HG1  ILE  30          2HG1      ILE  30  -8.875   7.864  -1.374
  233   1HG2  ILE  30          1HG2      ILE  30  -9.906   4.319  -1.753
  234   2HG2  ILE  30          2HG2      ILE  30 -10.914   5.714  -1.366
  235   3HG2  ILE  30          3HG2      ILE  30  -9.341   5.520  -0.593
  236   1HD1  ILE  30          1HD1      ILE  30  -9.252   8.509  -4.287
  237   2HD1  ILE  30          2HD1      ILE  30  -7.675   8.237  -3.541
  238   3HD1  ILE  30          3HD1      ILE  30  -8.688   9.581  -3.004
  239    H    LEU  31           H        LEU  31  -6.187   4.556  -1.288
  240    HA   LEU  31           HA       LEU  31  -6.634   1.881  -2.362
  241   1HB   LEU  31          1HB       LEU  31  -4.538   3.195  -0.707
  242   2HB   LEU  31          2HB       LEU  31  -4.762   1.473  -0.515
  243    HG   LEU  31           HG       LEU  31  -2.943   2.218  -2.116
  244   1HD1  LEU  31          1HD1      LEU  31  -3.864  -0.068  -2.080
  245   2HD1  LEU  31          2HD1      LEU  31  -3.333   0.444  -3.680
  246   3HD1  LEU  31          3HD1      LEU  31  -5.051   0.422  -3.294
  247   1HD2  LEU  31          1HD2      LEU  31  -5.308   2.879  -3.859
  248   2HD2  LEU  31          2HD2      LEU  31  -3.627   2.809  -4.385
  249   3HD2  LEU  31          3HD2      LEU  31  -4.133   4.025  -3.215
  250    H    THR  32           H        THR  32  -7.065   0.097  -0.955
  251    HA   THR  32           HA       THR  32  -8.619   0.854   1.409
  252    HB   THR  32           HB       THR  32  -8.703  -1.829   0.043
  253    HG1  THR  32           HG1      THR  32  -9.477  -0.709  -1.602
  254   1HG2  THR  32          1HG2      THR  32  -9.713  -1.826   2.196
  255   2HG2  THR  32          2HG2      THR  32 -11.028  -1.756   1.018
  256   3HG2  THR  32          3HG2      THR  32 -10.536  -0.296   1.880
  257    H    LEU  33           H        LEU  33  -7.862   0.332   3.359
  258    HA   LEU  33           HA       LEU  33  -5.365  -1.088   3.566
  259   1HB   LEU  33          1HB       LEU  33  -6.980   0.628   5.278
  260   2HB   LEU  33          2HB       LEU  33  -6.287  -0.729   6.142
  261    HG   LEU  33           HG       LEU  33  -4.786   1.364   4.579
  262   1HD1  LEU  33          1HD1      LEU  33  -3.865   1.947   6.767
  263   2HD1  LEU  33          2HD1      LEU  33  -4.905   0.743   7.525
  264   3HD1  LEU  33          3HD1      LEU  33  -5.620   2.138   6.717
  265   1HD2  LEU  33          1HD2      LEU  33  -3.778  -1.077   6.028
  266   2HD2  LEU  33          2HD2      LEU  33  -2.760   0.257   5.483
  267   3HD2  LEU  33          3HD2      LEU  33  -3.633  -0.722   4.305
  268    H    LEU  34           H        LEU  34  -5.064  -3.107   4.069
  269    HA   LEU  34           HA       LEU  34  -7.386  -4.732   4.855
  270   1HB   LEU  34          1HB       LEU  34  -4.834  -5.745   3.628
  271   2HB   LEU  34          2HB       LEU  34  -6.369  -6.573   3.759
  272    HG   LEU  34           HG       LEU  34  -5.776  -4.223   1.965
  273   1HD1  LEU  34          1HD1      LEU  34  -5.619  -5.677   0.212
  274   2HD1  LEU  34          2HD1      LEU  34  -6.585  -6.923   1.010
  275   3HD1  LEU  34          3HD1      LEU  34  -4.911  -6.655   1.503
  276   1HD2  LEU  34          1HD2      LEU  34  -8.066  -4.935   1.016
  277   2HD2  LEU  34          2HD2      LEU  34  -8.032  -3.959   2.485
  278   3HD2  LEU  34          3HD2      LEU  34  -8.312  -5.699   2.586
  279    H    ASN  35           H        ASN  35  -3.955  -4.126   5.409
  280    HA   ASN  35           HA       ASN  35  -4.234  -4.875   8.178
  281   1HB   ASN  35          1HB       ASN  35  -3.768  -7.033   6.861
  282   2HB   ASN  35          2HB       ASN  35  -2.159  -6.372   6.584
  283   1HD2  ASN  35          1HD2      ASN  35  -3.077  -8.742   8.106
  284   2HD2  ASN  35          2HD2      ASN  35  -2.410  -8.538   9.692
  285    H    SER  36           H        SER  36  -3.145  -3.401   9.277
  286    HA   SER  36           HA       SER  36  -0.732  -2.214   8.076
  287   1HB   SER  36          1HB       SER  36  -1.432  -0.259   9.711
  288   2HB   SER  36          2HB       SER  36  -2.215  -0.421   8.131
  289    HG   SER  36           HG       SER  36  -3.307  -1.741  10.377
  290    H    THR  37           H        THR  37  -0.805  -4.603   9.724
  291    HA   THR  37           HA       THR  37  -0.085  -3.974  12.402
  292    HB   THR  37           HB       THR  37  -0.952  -6.207  11.693
  293    HG1  THR  37           HG1      THR  37   1.460  -5.943  13.157
  294   1HG2  THR  37          1HG2      THR  37   0.317  -6.548   9.649
  295   2HG2  THR  37          2HG2      THR  37   0.647  -7.854  10.787
  296   3HG2  THR  37          3HG2      THR  37   1.828  -6.566  10.562
  297    H    ASN  38           H        ASN  38   1.563  -3.536   9.540
  298    HA   ASN  38           HA       ASN  38   4.192  -3.668  10.857
  299   1HB   ASN  38          1HB       ASN  38   3.799  -5.050   8.767
  300   2HB   ASN  38          2HB       ASN  38   3.604  -3.545   7.893
  301   1HD2  ASN  38          1HD2      ASN  38   5.600  -5.714   7.616
  302   2HD2  ASN  38          2HD2      ASN  38   7.142  -4.943   7.762
  303    H    LYS  39           H        LYS  39   5.485  -1.780  10.760
  304    HA   LYS  39           HA       LYS  39   3.980   0.647  10.522
  305   1HB   LYS  39          1HB       LYS  39   6.665  -0.187  11.578
  306   2HB   LYS  39          2HB       LYS  39   6.220   1.478  11.441
  307   1HG   LYS  39          1HG       LYS  39   4.505   1.268  13.081
  308   2HG   LYS  39          2HG       LYS  39   4.620  -0.499  13.028
  309   1HD   LYS  39          1HD       LYS  39   6.951  -0.298  13.867
  310   2HD   LYS  39          2HD       LYS  39   6.690   1.436  14.052
  311   1HE   LYS  39          1HE       LYS  39   4.857   0.995  15.608
  312   2HE   LYS  39          2HE       LYS  39   5.107  -0.739  15.415
  313   1HZ   LYS  39          1HZ       LYS  39   7.327  -0.487  16.330
  314   2HZ   LYS  39          2HZ       LYS  39   6.161   0.087  17.422
  315   3HZ   LYS  39          3HZ       LYS  39   7.088   1.183  16.516
  316    H    ASP  40           H        ASP  40   6.418  -1.080   8.733
  317    HA   ASP  40           HA       ASP  40   7.074   1.334   7.197
  318   1HB   ASP  40          1HB       ASP  40   8.342  -1.408   7.289
  319   2HB   ASP  40          2HB       ASP  40   8.819  -0.161   6.138
  320    H    TRP  41           H        TRP  41   5.378  -1.662   6.967
  321    HA   TRP  41           HA       TRP  41   4.724  -1.054   4.164
  322   1HB   TRP  41          1HB       TRP  41   5.332  -3.781   5.331
  323   2HB   TRP  41          2HB       TRP  41   4.661  -3.511   3.735
  324    HD1  TRP  41           HD1      TRP  41   7.909  -3.241   5.699
  325    HE1  TRP  41           HE1      TRP  41   9.862  -2.898   4.055
  326    HE3  TRP  41           HE3      TRP  41   5.231  -2.549   1.396
  327    HZ2  TRP  41           HZ2      TRP  41  10.212  -2.398   1.305
  328    HZ3  TRP  41           HZ3      TRP  41   6.452  -2.146  -0.698
  329    HH2  TRP  41           HH2      TRP  41   8.894  -2.074  -0.743
  330    H    TRP  42           H        TRP  42   2.601  -1.122   3.654
  331    HA   TRP  42           HA       TRP  42   0.772  -2.256   5.674
  332   1HB   TRP  42          1HB       TRP  42   0.608   0.308   4.106
  333   2HB   TRP  42          2HB       TRP  42  -0.869  -0.486   4.660
  334    HD1  TRP  42           HD1      TRP  42   1.695  -1.090   7.186
  335    HE1  TRP  42           HE1      TRP  42   1.453   0.530   9.161
  336    HE3  TRP  42           HE3      TRP  42  -1.467   2.305   5.075
  337    HZ2  TRP  42           HZ2      TRP  42   0.116   2.948   9.730
  338    HZ3  TRP  42           HZ3      TRP  42  -2.185   4.266   6.401
  339    HH2  TRP  42           HH2      TRP  42  -1.399   4.563   8.681
  340    H    LYS  43           H        LYS  43  -0.746  -3.654   4.973
  341    HA   LYS  43           HA       LYS  43  -0.619  -4.510   2.201
  342   1HB   LYS  43          1HB       LYS  43  -0.730  -6.127   4.130
  343   2HB   LYS  43          2HB       LYS  43  -2.363  -5.557   4.440
  344   1HG   LYS  43          1HG       LYS  43  -3.035  -6.301   2.182
  345   2HG   LYS  43          2HG       LYS  43  -1.417  -6.963   1.940
  346   1HD   LYS  43          1HD       LYS  43  -1.816  -8.312   4.055
  347   2HD   LYS  43          2HD       LYS  43  -3.500  -7.805   3.948
  348   1HE   LYS  43          1HE       LYS  43  -1.952  -9.469   1.961
  349   2HE   LYS  43          2HE       LYS  43  -3.301  -9.976   2.979
  350   1HZ   LYS  43          1HZ       LYS  43  -3.551  -7.892   0.896
  351   2HZ   LYS  43          2HZ       LYS  43  -4.798  -8.665   1.747
  352   3HZ   LYS  43          3HZ       LYS  43  -3.871  -9.534   0.622
  353    H    VAL  44           H        VAL  44  -1.918  -3.689   0.691
  354    HA   VAL  44           HA       VAL  44  -4.553  -2.678   1.521
  355    HB   VAL  44           HB       VAL  44  -4.293  -0.884  -0.232
  356   1HG1  VAL  44          1HG1      VAL  44  -2.415  -0.817   2.125
  357   2HG1  VAL  44          2HG1      VAL  44  -4.110  -0.331   2.111
  358   3HG1  VAL  44          3HG1      VAL  44  -2.922   0.592   1.191
  359   1HG2  VAL  44          1HG2      VAL  44  -2.006  -0.264  -0.886
  360   2HG2  VAL  44          2HG2      VAL  44  -2.472  -1.849  -1.501
  361   3HG2  VAL  44          3HG2      VAL  44  -1.401  -1.726  -0.105
  362    H    GLU  45           H        GLU  45  -5.895  -2.196  -0.505
  363    HA   GLU  45           HA       GLU  45  -5.572  -4.335  -2.500
  364   1HB   GLU  45          1HB       GLU  45  -7.284  -4.788  -0.676
  365   2HB   GLU  45          2HB       GLU  45  -8.194  -3.428  -1.310
  366   1HG   GLU  45          1HG       GLU  45  -8.668  -4.542  -3.326
  367   2HG   GLU  45          2HG       GLU  45  -7.448  -5.779  -3.021
  368    H    VAL  46           H        VAL  46  -5.626  -3.610  -4.537
  369    HA   VAL  46           HA       VAL  46  -6.967  -1.032  -5.094
  370    HB   VAL  46           HB       VAL  46  -5.135  -1.468  -7.150
  371   1HG1  VAL  46          1HG1      VAL  46  -4.207   0.633  -6.500
  372   2HG1  VAL  46          2HG1      VAL  46  -4.905   0.483  -4.889
  373   3HG1  VAL  46          3HG1      VAL  46  -5.960   0.664  -6.293
  374   1HG2  VAL  46          1HG2      VAL  46  -3.826  -1.865  -4.484
  375   2HG2  VAL  46          2HG2      VAL  46  -2.972  -1.477  -5.978
  376   3HG2  VAL  46          3HG2      VAL  46  -3.871  -2.989  -5.844
  377    H    ASN  47           H        ASN  47  -8.643  -1.370  -6.296
  378    HA   ASN  47           HA       ASN  47 -10.120  -2.043  -7.807
  379   1HB   ASN  47          1HB       ASN  47  -9.359  -2.614 -10.036
  380   2HB   ASN  47          2HB       ASN  47  -8.512  -1.244  -9.410
  381   1HD2  ASN  47          1HD2      ASN  47  -6.290  -1.291  -9.324
  382   2HD2  ASN  47          2HD2      ASN  47  -5.357  -2.650  -9.856
  383    H    ASP  48           H        ASP  48  -7.646  -4.477  -7.740
  384    HA   ASP  48           HA       ASP  48  -9.494  -6.526  -6.875
  385   1HB   ASP  48          1HB       ASP  48  -9.927  -6.388  -9.339
  386   2HB   ASP  48          2HB       ASP  48  -8.238  -6.802  -9.620
  387    H    ARG  49           H        ARG  49  -6.436  -5.248  -7.195
  388    HA   ARG  49           HA       ARG  49  -5.072  -7.798  -6.731
  389   1HB   ARG  49          1HB       ARG  49  -3.958  -5.055  -7.340
  390   2HB   ARG  49          2HB       ARG  49  -2.994  -6.502  -7.093
  391   1HG   ARG  49          1HG       ARG  49  -5.010  -6.116  -9.298
  392   2HG   ARG  49          2HG       ARG  49  -3.265  -5.944  -9.464
  393   1HD   ARG  49          1HD       ARG  49  -3.601  -8.093 -10.224
  394   2HD   ARG  49          2HD       ARG  49  -3.199  -8.366  -8.530
  395    HE   ARG  49           HE       ARG  49  -6.029  -8.170  -9.227
  396   1HH1  ARG  49          1HH1      ARG  49  -3.286 -10.200  -8.430
  397   2HH1  ARG  49          2HH1      ARG  49  -4.265 -11.577  -8.022
  398   1HH2  ARG  49          1HH2      ARG  49  -7.319  -9.963  -8.667
  399   2HH2  ARG  49          2HH2      ARG  49  -6.555 -11.432  -8.123
  400    H    GLN  50           H        GLN  50  -4.255  -8.324  -4.833
  401    HA   GLN  50           HA       GLN  50  -4.364  -6.314  -2.685
  402   1HB   GLN  50          1HB       GLN  50  -4.703  -9.308  -2.654
  403   2HB   GLN  50          2HB       GLN  50  -4.356  -8.399  -1.191
  404   1HG   GLN  50          1HG       GLN  50  -6.423  -7.030  -1.724
  405   2HG   GLN  50          2HG       GLN  50  -6.786  -8.258  -2.940
  406   1HE2  GLN  50          1HE2      GLN  50  -8.763  -8.465  -1.544
  407   2HE2  GLN  50          2HE2      GLN  50  -8.665  -9.557  -0.200
  408    H    GLY  51           H        GLY  51  -2.578  -5.979  -1.446
  409   1HA   GLY  51          1HA       GLY  51  -0.441  -7.599  -1.127
  410   2HA   GLY  51          2HA       GLY  51  -0.016  -6.760  -2.545
  411    H    PHE  52           H        PHE  52   1.756  -6.217  -0.988
  412    HA   PHE  52           HA       PHE  52   1.038  -4.231   1.012
  413   1HB   PHE  52          1HB       PHE  52   3.499  -5.855   0.448
  414   2HB   PHE  52          2HB       PHE  52   3.500  -4.521   1.602
  415    HD1  PHE  52           HD1      PHE  52   2.972  -4.936   3.798
  416    HD2  PHE  52           HD2      PHE  52   1.631  -7.648   0.787
  417    HE1  PHE  52           HE1      PHE  52   2.120  -6.454   5.543
  418    HE2  PHE  52           HE2      PHE  52   0.783  -9.165   2.535
  419    HZ   PHE  52           HZ       PHE  52   1.023  -8.569   4.910
  420    H    VAL  53           H        VAL  53   1.927  -2.253   1.168
  421    HA   VAL  53           HA       VAL  53   3.650  -1.227  -0.959
  422    HB   VAL  53           HB       VAL  53   2.328   0.793  -1.216
  423   1HG1  VAL  53          1HG1      VAL  53   0.354  -0.098  -2.345
  424   2HG1  VAL  53          2HG1      VAL  53   0.608  -1.650  -1.543
  425   3HG1  VAL  53          3HG1      VAL  53   1.795  -1.051  -2.704
  426   1HG2  VAL  53          1HG2      VAL  53   0.478  -0.457   0.808
  427   2HG2  VAL  53          2HG2      VAL  53   0.037   0.921  -0.199
  428   3HG2  VAL  53          3HG2      VAL  53   1.370   1.060   0.948
  429    HA   PRO  54           HA       PRO  54   5.753   0.815   2.372
  430   1HB   PRO  54          1HB       PRO  54   5.584   3.333   0.804
  431   2HB   PRO  54          2HB       PRO  54   7.016   2.513   1.445
  432   1HG   PRO  54          1HG       PRO  54   6.479   2.431  -1.149
  433   2HG   PRO  54          2HG       PRO  54   7.068   0.980  -0.316
  434   1HD   PRO  54          1HD       PRO  54   4.282   1.685  -1.158
  435   2HD   PRO  54          2HD       PRO  54   5.127   0.125  -1.262
  436    H    ALA  55           H        ALA  55   4.871   1.480   4.246
  437    HA   ALA  55           HA       ALA  55   2.311   2.678   4.426
  438   1HB   ALA  55          1HB       ALA  55   2.947   3.060   6.820
  439   2HB   ALA  55          2HB       ALA  55   4.542   2.420   6.431
  440   3HB   ALA  55          3HB       ALA  55   3.115   1.393   6.266
  441    H    ALA  56           H        ALA  56   5.460   3.934   3.935
  442    HA   ALA  56           HA       ALA  56   4.886   6.625   4.794
  443   1HB   ALA  56          1HB       ALA  56   7.209   5.651   3.132
  444   2HB   ALA  56          2HB       ALA  56   7.168   5.620   4.897
  445   3HB   ALA  56          3HB       ALA  56   7.102   7.160   4.040
  446    H    TYR  57           H        TYR  57   3.860   4.856   2.250
  447    HA   TYR  57           HA       TYR  57   3.864   7.159   0.384
  448   1HB   TYR  57          1HB       TYR  57   3.821   4.190  -0.056
  449   2HB   TYR  57          2HB       TYR  57   3.133   5.265  -1.274
  450    HD1  TYR  57           HD1      TYR  57   4.541   5.529  -3.074
  451    HD2  TYR  57           HD2      TYR  57   6.235   5.314   0.830
  452    HE1  TYR  57           HE1      TYR  57   6.780   5.842  -4.034
  453    HE2  TYR  57           HE2      TYR  57   8.471   5.650  -0.112
  454    HH   TYR  57           HH       TYR  57   9.684   5.714  -1.994
  455    H    VAL  58           H        VAL  58   2.017   5.914   2.674
  456    HA   VAL  58           HA       VAL  58  -0.461   6.559   1.285
  457    HB   VAL  58           HB       VAL  58   0.374   3.938   2.046
  458   1HG1  VAL  58          1HG1      VAL  58  -2.049   4.946   3.488
  459   2HG1  VAL  58          2HG1      VAL  58  -0.608   4.191   4.170
  460   3HG1  VAL  58          3HG1      VAL  58  -1.729   3.237   3.191
  461   1HG2  VAL  58          1HG2      VAL  58  -0.769   4.613  -0.036
  462   2HG2  VAL  58          2HG2      VAL  58  -2.255   4.822   0.892
  463   3HG2  VAL  58          3HG2      VAL  58  -1.507   3.228   0.767
  464    H    LYS  59           H        LYS  59  -2.098   7.371   2.651
  465    HA   LYS  59           HA       LYS  59  -1.397   7.731   5.483
  466   1HB   LYS  59          1HB       LYS  59  -0.873   9.895   4.949
  467   2HB   LYS  59          2HB       LYS  59  -1.707   9.803   3.406
  468   1HG   LYS  59          1HG       LYS  59  -3.703   9.811   5.392
  469   2HG   LYS  59          2HG       LYS  59  -2.535  11.060   5.828
  470   1HD   LYS  59          1HD       LYS  59  -2.953  12.299   3.957
  471   2HD   LYS  59          2HD       LYS  59  -3.384  10.887   2.988
  472   1HE   LYS  59          1HE       LYS  59  -5.363  12.196   3.349
  473   2HE   LYS  59          2HE       LYS  59  -5.492  10.706   4.282
  474   1HZ   LYS  59          1HZ       LYS  59  -4.529  13.249   5.476
  475   2HZ   LYS  59          2HZ       LYS  59  -5.059  11.849   6.273
  476   3HZ   LYS  59          3HZ       LYS  59  -6.172  12.817   5.442
  477    H    LYS  60           H        LYS  60  -3.066   7.659   6.891
  478    HA   LYS  60           HA       LYS  60  -5.469   6.379   6.207
  479   1HB   LYS  60          1HB       LYS  60  -4.401   7.652   8.641
  480   2HB   LYS  60          2HB       LYS  60  -6.130   7.810   8.484
  481   1HG   LYS  60          1HG       LYS  60  -5.541   5.923   9.860
  482   2HG   LYS  60          2HG       LYS  60  -6.372   5.390   8.405
  483   1HD   LYS  60          1HD       LYS  60  -4.517   4.409   7.559
  484   2HD   LYS  60          2HD       LYS  60  -3.414   5.509   8.356
  485   1HE   LYS  60          1HE       LYS  60  -3.317   3.197   9.282
  486   2HE   LYS  60          2HE       LYS  60  -3.792   4.382  10.474
  487   1HZ   LYS  60          1HZ       LYS  60  -5.684   2.637   9.013
  488   2HZ   LYS  60          2HZ       LYS  60  -6.074   3.724  10.252
  489   3HZ   LYS  60          3HZ       LYS  60  -5.120   2.361  10.583
  490    H    LEU  61           H        LEU  61  -7.330   7.073   5.372
  491    HA   LEU  61           HA       LEU  61  -7.682   9.941   4.941
  492   1HB   LEU  61          1HB       LEU  61  -9.196   7.533   3.964
  493   2HB   LEU  61          2HB       LEU  61  -9.732   9.171   3.663
  494    HG   LEU  61           HG       LEU  61  -7.053   8.130   2.760
  495   1HD1  LEU  61          1HD1      LEU  61  -8.036   7.794   0.593
  496   2HD1  LEU  61          2HD1      LEU  61  -9.607   8.336   1.182
  497   3HD1  LEU  61          3HD1      LEU  61  -8.906   6.835   1.789
  498   1HD2  LEU  61          1HD2      LEU  61  -8.646  10.620   2.281
  499   2HD2  LEU  61          2HD2      LEU  61  -7.472  10.056   1.093
  500   3HD2  LEU  61          3HD2      LEU  61  -6.947  10.454   2.727
  501    H    ASP  62           H        ASP  62  -8.697   7.551   7.097
  502    HA   ASP  62           HA       ASP  62 -10.971   9.185   8.002
  503   1HB   ASP  62          1HB       ASP  62 -11.468   6.836   7.232
  504   2HB   ASP  62          2HB       ASP  62 -10.496   6.257   8.582
  505   1H    ACE   0          1H        ACE   0   4.267 -11.417   3.765
  506   2H    ACE   0          2H        ACE   0   4.696 -11.637   2.071
  507   3H    ACE   0          3H        ACE   0   3.168 -10.856   2.469
  508    H    ALA   1           H        ALA   1   4.942  -9.659   4.775
  509    HA   ALA   1           HA       ALA   1   5.460  -7.209   3.311
  510   1HB   ALA   1          1HB       ALA   1   4.380  -7.059   5.479
  511   2HB   ALA   1          2HB       ALA   1   5.954  -6.264   5.530
  512   3HB   ALA   1          3HB       ALA   1   5.749  -7.865   6.242
  513    HA   PRO   2           HA       PRO   2   9.685  -8.264   2.369
  514   1HB   PRO   2          1HB       PRO   2   9.850  -5.281   2.363
  515   2HB   PRO   2          2HB       PRO   2  10.431  -6.443   1.163
  516   1HG   PRO   2          1HG       PRO   2   8.214  -5.063   0.707
  517   2HG   PRO   2          2HG       PRO   2   8.309  -6.780   0.271
  518   1HD   PRO   2          1HD       PRO   2   6.921  -5.482   2.574
  519   2HD   PRO   2          2HD       PRO   2   6.429  -6.883   1.601
  520    H    SER   3           H        SER   3  11.443  -8.557   3.612
  521    HA   SER   3           HA       SER   3  11.402  -7.556   6.324
  522   1HB   SER   3          1HB       SER   3  13.638  -9.180   5.148
  523   2HB   SER   3          2HB       SER   3  12.988  -9.205   6.789
  524    HG   SER   3           HG       SER   3  12.343 -10.770   4.745
  525    H    TYR   4           H        TYR   4  11.846  -5.589   4.231
  526    HA   TYR   4           HA       TYR   4  14.307  -4.464   5.272
  527   1HB   TYR   4          1HB       TYR   4  14.984  -3.753   2.934
  528   2HB   TYR   4          2HB       TYR   4  15.210  -5.452   3.315
  529    HD1  TYR   4           HD1      TYR   4  12.990  -3.074   1.528
  530    HD2  TYR   4           HD2      TYR   4  14.198  -7.125   2.004
  531    HE1  TYR   4           HE1      TYR   4  11.729  -3.682  -0.492
  532    HE2  TYR   4           HE2      TYR   4  12.940  -7.743  -0.017
  533    HH   TYR   4           HH       TYR   4  11.119  -6.955  -1.370
  534    H    SER   5           H        SER   5  14.515  -2.145   4.610
  535    HA   SER   5           HA       SER   5  12.098  -0.795   5.201
  536   1HB   SER   5          1HB       SER   5  14.650   0.415   4.135
  537   2HB   SER   5          2HB       SER   5  13.412   1.207   5.111
  538    HG   SER   5           HG       SER   5  13.969  -0.136   6.842
  539    HA   PRO   6           HA       PRO   6  10.466  -0.146   1.138
  540   1HB   PRO   6          1HB       PRO   6   8.926   2.028   1.610
  541   2HB   PRO   6          2HB       PRO   6   8.498   0.420   2.207
  542   1HG   PRO   6          1HG       PRO   6   9.810   2.691   3.653
  543   2HG   PRO   6          2HG       PRO   6   8.515   1.612   4.207
  544   1HD   PRO   6          1HD       PRO   6  11.110   1.285   4.923
  545   2HD   PRO   6          2HD       PRO   6   9.985  -0.076   4.744
  546    HA   PRO   7           HA       PRO   7  12.916   2.836  -0.988
  547   1HB   PRO   7          1HB       PRO   7  11.106   3.888  -2.783
  548   2HB   PRO   7          2HB       PRO   7  11.949   2.350  -2.998
  549   1HG   PRO   7          1HG       PRO   7   9.183   2.875  -1.995
  550   2HG   PRO   7          2HG       PRO   7   9.760   1.597  -3.083
  551   1HD   PRO   7          1HD       PRO   7   9.252   1.113  -0.491
  552   2HD   PRO   7          2HD       PRO   7  10.590   0.315  -1.342
  553    HA   PRO   8           HA       PRO   8  12.324   6.565   1.351
  554   1HB   PRO   8          1HB       PRO   8  13.923   8.142  -0.307
  555   2HB   PRO   8          2HB       PRO   8  14.479   7.203   1.079
  556   1HG   PRO   8          1HG       PRO   8  14.553   6.525  -1.827
  557   2HG   PRO   8          2HG       PRO   8  15.740   6.171  -0.556
  558   1HD   PRO   8          1HD       PRO   8  14.098   4.277  -1.481
  559   2HD   PRO   8          2HD       PRO   8  14.538   4.355   0.238
  560    HA   PRO   9           HA       PRO   9   8.894   8.293  -0.941
  561   1HB   PRO   9          1HB       PRO   9   9.086  10.352   1.192
  562   2HB   PRO   9          2HB       PRO   9   7.700   9.378   0.689
  563   1HG   PRO   9          1HG       PRO   9   8.984   8.858   2.966
  564   2HG   PRO   9          2HG       PRO   9   8.363   7.548   1.944
  565   1HD   PRO   9          1HD       PRO   9  11.167   8.544   2.256
  566   2HD   PRO   9          2HD       PRO   9  10.575   6.879   2.069
  567    HA   PRO  10           HA       PRO  10  11.261  11.532  -2.963
  568   1HB   PRO  10          1HB       PRO  10   9.860  11.112  -5.358
  569   2HB   PRO  10          2HB       PRO  10  11.388  10.361  -4.901
  570   1HG   PRO  10          1HG       PRO  10   8.914   9.058  -5.247
  571   2HG   PRO  10          2HG       PRO  10  10.382   8.371  -4.533
  572   1HD   PRO  10          1HD       PRO  10   7.975   9.508  -3.195
  573   2HD   PRO  10          2HD       PRO  10   9.043   8.186  -2.672
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1  -9.513  -9.279  -2.228
    2   2H    MET   1          2H        MET   1 -10.164  -8.046  -3.191
    3   3H    MET   1          3H        MET   1  -9.564  -9.460  -3.913
    4    HA   MET   1           HA       MET   1 -11.832  -9.778  -3.973
    5   1HB   MET   1          1HB       MET   1 -10.506 -11.122  -1.658
    6   2HB   MET   1          2HB       MET   1 -12.234 -11.355  -1.882
    7   1HG   MET   1          1HG       MET   1 -10.020 -12.067  -3.780
    8   2HG   MET   1          2HG       MET   1 -11.126 -13.157  -2.947
    9   1HE   MET   1          1HE       MET   1 -11.760 -14.430  -5.161
   10   2HE   MET   1          2HE       MET   1 -10.602 -13.430  -6.039
   11   3HE   MET   1          3HE       MET   1 -12.244 -13.623  -6.652
   12    H    ASP   2           H        ASP   2 -11.688  -7.223  -3.081
   13    HA   ASP   2           HA       ASP   2 -13.993  -7.084  -1.295
   14   1HB   ASP   2          1HB       ASP   2 -11.656  -6.700  -0.094
   15   2HB   ASP   2          2HB       ASP   2 -11.767  -5.113  -0.850
   16    H    GLU   3           H        GLU   3 -14.312  -4.408  -1.171
   17    HA   GLU   3           HA       GLU   3 -13.962  -3.409  -3.923
   18   1HB   GLU   3          1HB       GLU   3 -16.670  -3.882  -2.637
   19   2HB   GLU   3          2HB       GLU   3 -16.468  -2.509  -3.727
   20   1HG   GLU   3          1HG       GLU   3 -15.847  -3.954  -5.524
   21   2HG   GLU   3          2HG       GLU   3 -15.775  -5.351  -4.451
   22    H    THR   4           H        THR   4 -12.434  -2.518  -2.003
   23    HA   THR   4           HA       THR   4 -11.799  -0.766  -0.684
   24    HB   THR   4           HB       THR   4 -13.474   0.932  -2.520
   25    HG1  THR   4           HG1      THR   4 -11.071  -0.456  -3.151
   26   1HG2  THR   4          1HG2      THR   4 -11.661   2.481  -2.431
   27   2HG2  THR   4          2HG2      THR   4 -10.639   1.322  -1.585
   28   3HG2  THR   4          3HG2      THR   4 -12.046   2.016  -0.774
   29    H    GLY   5           H        GLY   5 -13.930  -2.077   0.489
   30   1HA   GLY   5          1HA       GLY   5 -15.591   0.131   1.545
   31   2HA   GLY   5          2HA       GLY   5 -16.154  -1.525   1.398
   32    H    LYS   6           H        LYS   6 -13.726   0.471   2.993
   33    HA   LYS   6           HA       LYS   6 -14.185  -0.226   5.590
   34   1HB   LYS   6          1HB       LYS   6 -12.459  -1.846   6.163
   35   2HB   LYS   6          2HB       LYS   6 -13.613  -2.533   5.038
   36   1HG   LYS   6          1HG       LYS   6 -11.583  -1.528   3.426
   37   2HG   LYS   6          2HG       LYS   6 -10.759  -2.256   4.805
   38   1HD   LYS   6          1HD       LYS   6 -12.768  -3.571   2.983
   39   2HD   LYS   6          2HD       LYS   6 -11.046  -3.937   3.111
   40   1HE   LYS   6          1HE       LYS   6 -11.292  -4.965   5.178
   41   2HE   LYS   6          2HE       LYS   6 -12.827  -4.161   5.505
   42   1HZ   LYS   6          1HZ       LYS   6 -12.495  -6.697   4.531
   43   2HZ   LYS   6          2HZ       LYS   6 -12.964  -5.798   3.171
   44   3HZ   LYS   6          3HZ       LYS   6 -13.939  -5.809   4.556
   45    H    GLU   7           H        GLU   7 -11.392  -0.488   6.360
   46    HA   GLU   7           HA       GLU   7 -10.634   2.122   6.744
   47   1HB   GLU   7          1HB       GLU   7  -9.540  -0.398   7.264
   48   2HB   GLU   7          2HB       GLU   7  -8.310   0.416   6.316
   49   1HG   GLU   7          1HG       GLU   7  -9.389   1.125   9.009
   50   2HG   GLU   7          2HG       GLU   7  -7.726   0.878   8.499
   51    H    LEU   8           H        LEU   8  -9.907   3.706   5.424
   52    HA   LEU   8           HA       LEU   8  -8.852   2.869   2.812
   53   1HB   LEU   8          1HB       LEU   8 -10.478   5.312   3.466
   54   2HB   LEU   8          2HB       LEU   8  -9.750   4.979   1.902
   55    HG   LEU   8           HG       LEU   8 -11.756   3.200   3.236
   56   1HD1  LEU   8          1HD1      LEU   8 -13.375   4.066   1.585
   57   2HD1  LEU   8          2HD1      LEU   8 -12.189   5.272   1.091
   58   3HD1  LEU   8          3HD1      LEU   8 -12.845   5.297   2.729
   59   1HD2  LEU   8          1HD2      LEU   8 -11.958   2.178   1.023
   60   2HD2  LEU   8          2HD2      LEU   8 -10.333   2.024   1.687
   61   3HD2  LEU   8          3HD2      LEU   8 -10.667   3.225   0.437
   62    H    VAL   9           H        VAL   9  -7.310   4.022   1.852
   63    HA   VAL   9           HA       VAL   9  -5.882   6.029   3.451
   64    HB   VAL   9           HB       VAL   9  -3.720   4.977   2.568
   65   1HG1  VAL   9          1HG1      VAL   9  -3.609   3.406   4.463
   66   2HG1  VAL   9          2HG1      VAL   9  -5.346   3.619   4.699
   67   3HG1  VAL   9          3HG1      VAL   9  -4.250   4.990   4.895
   68   1HG2  VAL   9          1HG2      VAL   9  -5.577   2.627   2.283
   69   2HG2  VAL   9          2HG2      VAL   9  -3.816   2.537   2.253
   70   3HG2  VAL   9          3HG2      VAL   9  -4.676   3.427   0.995
   71    H    LEU  10           H        LEU  10  -4.453   7.340   2.263
   72    HA   LEU  10           HA       LEU  10  -5.225   7.645  -0.561
   73   1HB   LEU  10          1HB       LEU  10  -5.779   9.579   0.784
   74   2HB   LEU  10          2HB       LEU  10  -4.155   9.636   1.444
   75    HG   LEU  10           HG       LEU  10  -3.506   9.919  -1.113
   76   1HD1  LEU  10          1HD1      LEU  10  -5.225  11.432  -2.164
   77   2HD1  LEU  10          2HD1      LEU  10  -6.359  10.846  -0.947
   78   3HD1  LEU  10          3HD1      LEU  10  -5.637   9.718  -2.098
   79   1HD2  LEU  10          1HD2      LEU  10  -3.519  12.339  -0.773
   80   2HD2  LEU  10          2HD2      LEU  10  -2.952  11.481   0.661
   81   3HD2  LEU  10          3HD2      LEU  10  -4.591  12.138   0.612
   82    H    ALA  11           H        ALA  11  -3.689   7.419  -2.099
   83    HA   ALA  11           HA       ALA  11  -1.052   6.602  -1.275
   84   1HB   ALA  11          1HB       ALA  11  -1.854   7.120  -4.119
   85   2HB   ALA  11          2HB       ALA  11  -2.435   5.696  -3.251
   86   3HB   ALA  11          3HB       ALA  11  -0.702   5.943  -3.485
   87    H    LEU  12           H        LEU  12   0.364   8.102  -0.667
   88    HA   LEU  12           HA       LEU  12   0.296  10.816  -1.465
   89   1HB   LEU  12          1HB       LEU  12   2.223   9.116   0.081
   90   2HB   LEU  12          2HB       LEU  12   2.637  10.769  -0.358
   91    HG   LEU  12           HG       LEU  12   0.529  11.497   0.799
   92   1HD1  LEU  12          1HD1      LEU  12   0.552   8.648   1.725
   93   2HD1  LEU  12          2HD1      LEU  12  -0.722   9.492   0.836
   94   3HD1  LEU  12          3HD1      LEU  12  -0.361   9.941   2.505
   95   1HD2  LEU  12          1HD2      LEU  12   1.496  11.290   3.067
   96   2HD2  LEU  12          2HD2      LEU  12   2.695  11.776   1.866
   97   3HD2  LEU  12          3HD2      LEU  12   2.646  10.109   2.441
   98    H    TYR  13           H        TYR  13   2.238   8.035  -2.491
   99    HA   TYR  13           HA       TYR  13   3.227   9.663  -4.721
  100   1HB   TYR  13          1HB       TYR  13   5.129   7.753  -3.409
  101   2HB   TYR  13          2HB       TYR  13   5.478   9.165  -4.396
  102    HD1  TYR  13           HD1      TYR  13   5.232  11.449  -3.391
  103    HD2  TYR  13           HD2      TYR  13   5.010   7.895  -1.061
  104    HE1  TYR  13           HE1      TYR  13   5.628  12.768  -1.356
  105    HE2  TYR  13           HE2      TYR  13   5.388   9.210   0.984
  106    HH   TYR  13           HH       TYR  13   5.246  12.642   1.021
  107    H    ASP  14           H        ASP  14   4.335   8.222  -6.373
  108    HA   ASP  14           HA       ASP  14   2.614   6.015  -6.958
  109   1HB   ASP  14          1HB       ASP  14   3.931   5.825  -9.048
  110   2HB   ASP  14          2HB       ASP  14   3.384   7.479  -8.786
  111    H    TYR  15           H        TYR  15   3.182   3.908  -7.016
  112    HA   TYR  15           HA       TYR  15   5.859   3.135  -6.156
  113   1HB   TYR  15          1HB       TYR  15   4.611   3.275  -4.065
  114   2HB   TYR  15          2HB       TYR  15   3.342   2.245  -4.729
  115    HD1  TYR  15           HD1      TYR  15   3.429  -0.034  -4.300
  116    HD2  TYR  15           HD2      TYR  15   7.016   2.239  -4.109
  117    HE1  TYR  15           HE1      TYR  15   4.644  -2.027  -3.536
  118    HE2  TYR  15           HE2      TYR  15   8.240   0.258  -3.347
  119    HH   TYR  15           HH       TYR  15   6.916  -2.892  -3.451
  120    H    GLN  16           H        GLN  16   6.478   1.100  -6.848
  121    HA   GLN  16           HA       GLN  16   4.558  -0.266  -8.622
  122   1HB   GLN  16          1HB       GLN  16   6.687   0.955  -9.583
  123   2HB   GLN  16          2HB       GLN  16   7.517  -0.485  -9.008
  124   1HG   GLN  16          1HG       GLN  16   7.029  -1.362 -10.983
  125   2HG   GLN  16          2HG       GLN  16   5.387  -1.534 -10.363
  126   1HE2  GLN  16          1HE2      GLN  16   5.027   1.408 -10.335
  127   2HE2  GLN  16          2HE2      GLN  16   4.766   1.852 -11.984
  128    H    GLU  17           H        GLU  17   4.273  -2.406  -8.328
  129    HA   GLU  17           HA       GLU  17   5.078  -3.634  -5.937
  130   1HB   GLU  17          1HB       GLU  17   4.179  -5.715  -6.961
  131   2HB   GLU  17          2HB       GLU  17   3.081  -4.350  -7.094
  132   1HG   GLU  17          1HG       GLU  17   4.104  -4.022  -9.430
  133   2HG   GLU  17          2HG       GLU  17   4.707  -5.667  -9.232
  134    H    LYS  18           H        LYS  18   6.875  -4.768  -5.365
  135    HA   LYS  18           HA       LYS  18   8.792  -5.303  -7.544
  136   1HB   LYS  18          1HB       LYS  18   9.379  -5.126  -4.588
  137   2HB   LYS  18          2HB       LYS  18  10.555  -5.246  -5.892
  138   1HG   LYS  18          1HG       LYS  18   9.903  -3.031  -6.710
  139   2HG   LYS  18          2HG       LYS  18   8.669  -2.917  -5.456
  140   1HD   LYS  18          1HD       LYS  18  11.570  -3.324  -4.774
  141   2HD   LYS  18          2HD       LYS  18  10.906  -1.718  -5.067
  142   1HE   LYS  18          1HE       LYS  18  10.886  -2.131  -2.698
  143   2HE   LYS  18          2HE       LYS  18   9.220  -2.148  -3.278
  144   1HZ   LYS  18          1HZ       LYS  18   9.972  -3.975  -1.683
  145   2HZ   LYS  18          2HZ       LYS  18  10.758  -4.655  -3.017
  146   3HZ   LYS  18          3HZ       LYS  18   9.071  -4.432  -3.044
  147    H    SER  19           H        SER  19   6.857  -6.828  -5.120
  148    HA   SER  19           HA       SER  19   7.989  -9.417  -5.909
  149   1HB   SER  19          1HB       SER  19   7.812 -10.234  -3.648
  150   2HB   SER  19          2HB       SER  19   8.696  -8.702  -3.584
  151    HG   SER  19           HG       SER  19   7.099  -7.800  -2.525
  152    HA   PRO  20           HA       PRO  20   3.838 -10.791  -6.682
  153   1HB   PRO  20          1HB       PRO  20   4.255 -13.040  -4.777
  154   2HB   PRO  20          2HB       PRO  20   3.781 -13.088  -6.481
  155   1HG   PRO  20          1HG       PRO  20   6.228 -13.781  -5.803
  156   2HG   PRO  20          2HG       PRO  20   5.982 -12.726  -7.212
  157   1HD   PRO  20          1HD       PRO  20   6.766 -11.978  -4.410
  158   2HD   PRO  20          2HD       PRO  20   7.505 -11.465  -5.946
  159    H    ALA  21           H        ALA  21   4.852 -10.080  -3.505
  160    HA   ALA  21           HA       ALA  21   2.099 -10.166  -2.485
  161   1HB   ALA  21          1HB       ALA  21   3.115  -9.970  -0.241
  162   2HB   ALA  21          2HB       ALA  21   4.713 -10.015  -0.987
  163   3HB   ALA  21          3HB       ALA  21   3.647 -11.416  -1.106
  164    H    GLU  22           H        GLU  22   3.501  -8.163  -4.243
  165    HA   GLU  22           HA       GLU  22   2.946  -5.789  -2.597
  166   1HB   GLU  22          1HB       GLU  22   5.273  -6.404  -4.323
  167   2HB   GLU  22          2HB       GLU  22   4.607  -4.785  -4.479
  168   1HG   GLU  22          1HG       GLU  22   5.303  -4.149  -2.441
  169   2HG   GLU  22          2HG       GLU  22   5.058  -5.741  -1.722
  170    H    VAL  23           H        VAL  23   2.021  -3.990  -3.732
  171    HA   VAL  23           HA       VAL  23   0.927  -4.687  -6.367
  172    HB   VAL  23           HB       VAL  23  -1.150  -3.324  -5.623
  173   1HG1  VAL  23          1HG1      VAL  23  -0.630  -6.123  -4.673
  174   2HG1  VAL  23          2HG1      VAL  23  -1.329  -5.621  -6.214
  175   3HG1  VAL  23          3HG1      VAL  23  -2.222  -5.366  -4.717
  176   1HG2  VAL  23          1HG2      VAL  23  -1.099  -2.535  -3.552
  177   2HG2  VAL  23          2HG2      VAL  23   0.291  -3.532  -3.126
  178   3HG2  VAL  23          3HG2      VAL  23  -1.338  -4.195  -3.007
  179    H    THR  24           H        THR  24   0.357  -2.904  -7.701
  180    HA   THR  24           HA       THR  24   2.187  -0.665  -7.298
  181    HB   THR  24           HB       THR  24   0.555  -1.456  -9.723
  182    HG1  THR  24           HG1      THR  24   2.077  -3.012  -9.520
  183   1HG2  THR  24          1HG2      THR  24   1.082   0.884  -9.857
  184   2HG2  THR  24          2HG2      THR  24   2.167   0.014 -10.942
  185   3HG2  THR  24          3HG2      THR  24   2.753   0.581  -9.378
  186    H    MET  25           H        MET  25   1.560   1.429  -7.036
  187    HA   MET  25           HA       MET  25  -1.286   2.105  -7.251
  188   1HB   MET  25          1HB       MET  25  -1.326   3.211  -5.101
  189   2HB   MET  25          2HB       MET  25  -0.832   1.531  -4.868
  190   1HG   MET  25          1HG       MET  25   1.383   2.123  -4.430
  191   2HG   MET  25          2HG       MET  25   1.187   3.726  -5.149
  192   1HE   MET  25          1HE       MET  25  -0.245   1.504  -2.108
  193   2HE   MET  25          2HE       MET  25  -1.586   2.295  -2.939
  194   3HE   MET  25          3HE       MET  25  -1.149   2.787  -1.304
  195    H    LYS  26           H        LYS  26  -1.625   4.499  -7.156
  196    HA   LYS  26           HA       LYS  26   0.737   5.992  -8.053
  197   1HB   LYS  26          1HB       LYS  26  -1.996   6.083  -9.356
  198   2HB   LYS  26          2HB       LYS  26  -0.659   7.150  -9.753
  199   1HG   LYS  26          1HG       LYS  26  -0.411   5.635 -11.418
  200   2HG   LYS  26          2HG       LYS  26   0.568   4.836 -10.185
  201   1HD   LYS  26          1HD       LYS  26  -0.912   3.221 -11.214
  202   2HD   LYS  26          2HD       LYS  26  -1.406   3.491  -9.542
  203   1HE   LYS  26          1HE       LYS  26  -2.922   5.337 -10.759
  204   2HE   LYS  26          2HE       LYS  26  -2.782   4.167 -12.070
  205   1HZ   LYS  26          1HZ       LYS  26  -4.478   3.157 -11.070
  206   2HZ   LYS  26          2HZ       LYS  26  -4.276   4.015  -9.620
  207   3HZ   LYS  26          3HZ       LYS  26  -3.351   2.623  -9.918
  208    H    LYS  27           H        LYS  27   0.701   8.222  -7.614
  209    HA   LYS  27           HA       LYS  27  -0.518   8.946  -5.189
  210   1HB   LYS  27          1HB       LYS  27   1.356  10.232  -5.566
  211   2HB   LYS  27          2HB       LYS  27   1.044  10.385  -7.287
  212   1HG   LYS  27          1HG       LYS  27   0.839  12.537  -6.314
  213   2HG   LYS  27          2HG       LYS  27  -0.779  11.986  -6.750
  214   1HD   LYS  27          1HD       LYS  27  -1.342  11.540  -4.499
  215   2HD   LYS  27          2HD       LYS  27   0.338  11.658  -3.975
  216   1HE   LYS  27          1HE       LYS  27   0.359  14.003  -4.232
  217   2HE   LYS  27          2HE       LYS  27  -1.134  13.996  -5.168
  218   1HZ   LYS  27          1HZ       LYS  27  -1.513  14.768  -2.919
  219   2HZ   LYS  27          2HZ       LYS  27  -0.904  13.319  -2.282
  220   3HZ   LYS  27          3HZ       LYS  27  -2.337  13.312  -3.192
  221    H    GLY  28           H        GLY  28  -2.438   9.747  -4.697
  222   1HA   GLY  28          1HA       GLY  28  -4.378  11.126  -5.113
  223   2HA   GLY  28          2HA       GLY  28  -4.061  10.964  -6.839
  224    H    ASP  29           H        ASP  29  -3.738   7.995  -5.295
  225    HA   ASP  29           HA       ASP  29  -6.391   7.186  -6.232
  226   1HB   ASP  29          1HB       ASP  29  -3.811   6.075  -6.605
  227   2HB   ASP  29          2HB       ASP  29  -4.700   4.959  -5.565
  228    H    ILE  30           H        ILE  30  -7.744   5.972  -4.922
  229    HA   ILE  30           HA       ILE  30  -7.120   6.129  -2.061
  230    HB   ILE  30           HB       ILE  30  -9.705   5.878  -3.594
  231   1HG1  ILE  30          1HG1      ILE  30 -10.397   7.783  -2.219
  232   2HG1  ILE  30          2HG1      ILE  30  -8.896   7.708  -1.310
  233   1HG2  ILE  30          1HG2      ILE  30  -9.369   5.309  -0.654
  234   2HG2  ILE  30          2HG2      ILE  30  -9.819   4.147  -1.901
  235   3HG2  ILE  30          3HG2      ILE  30 -10.909   5.473  -1.497
  236   1HD1  ILE  30          1HD1      ILE  30  -8.789   9.514  -2.879
  237   2HD1  ILE  30          2HD1      ILE  30  -9.223   8.442  -4.209
  238   3HD1  ILE  30          3HD1      ILE  30  -7.668   8.251  -3.396
  239    H    LEU  31           H        LEU  31  -6.319   4.385  -1.141
  240    HA   LEU  31           HA       LEU  31  -6.782   1.766  -2.397
  241   1HB   LEU  31          1HB       LEU  31  -4.589   2.913  -0.751
  242   2HB   LEU  31          2HB       LEU  31  -4.859   1.194  -0.688
  243    HG   LEU  31           HG       LEU  31  -3.063   1.969  -2.262
  244   1HD1  LEU  31          1HD1      LEU  31  -5.339   0.347  -3.350
  245   2HD1  LEU  31          2HD1      LEU  31  -3.939  -0.237  -2.446
  246   3HD1  LEU  31          3HD1      LEU  31  -3.730   0.428  -4.067
  247   1HD2  LEU  31          1HD2      LEU  31  -5.385   2.893  -3.938
  248   2HD2  LEU  31          2HD2      LEU  31  -3.691   2.840  -4.432
  249   3HD2  LEU  31          3HD2      LEU  31  -4.205   3.946  -3.153
  250    H    THR  32           H        THR  32  -7.451   0.030  -1.195
  251    HA   THR  32           HA       THR  32  -8.856   0.609   1.270
  252    HB   THR  32           HB       THR  32  -8.619  -2.130   0.090
  253    HG1  THR  32           HG1      THR  32  -9.593  -1.546  -1.675
  254   1HG2  THR  32          1HG2      THR  32 -10.786  -0.593   1.516
  255   2HG2  THR  32          2HG2      THR  32  -9.825  -1.932   2.149
  256   3HG2  THR  32          3HG2      THR  32 -10.991  -2.217   0.853
  257    H    LEU  33           H        LEU  33  -8.049   0.158   3.266
  258    HA   LEU  33           HA       LEU  33  -5.431  -1.061   3.461
  259   1HB   LEU  33          1HB       LEU  33  -7.077   0.622   5.116
  260   2HB   LEU  33          2HB       LEU  33  -6.514  -0.758   6.036
  261    HG   LEU  33           HG       LEU  33  -4.835   1.319   4.643
  262   1HD1  LEU  33          1HD1      LEU  33  -4.107   1.898   6.827
  263   2HD1  LEU  33          2HD1      LEU  33  -4.913   0.503   7.539
  264   3HD1  LEU  33          3HD1      LEU  33  -5.870   1.829   6.876
  265   1HD2  LEU  33          1HD2      LEU  33  -3.753  -0.830   4.319
  266   2HD2  LEU  33          2HD2      LEU  33  -3.938  -1.208   6.033
  267   3HD2  LEU  33          3HD2      LEU  33  -2.878   0.113   5.529
  268    H    LEU  34           H        LEU  34  -5.028  -3.120   3.910
  269    HA   LEU  34           HA       LEU  34  -7.285  -4.799   4.774
  270   1HB   LEU  34          1HB       LEU  34  -4.811  -5.680   3.301
  271   2HB   LEU  34          2HB       LEU  34  -6.254  -6.621   3.605
  272    HG   LEU  34           HG       LEU  34  -6.120  -4.186   1.828
  273   1HD1  LEU  34          1HD1      LEU  34  -6.235  -5.656  -0.022
  274   2HD1  LEU  34          2HD1      LEU  34  -6.484  -7.056   1.022
  275   3HD1  LEU  34          3HD1      LEU  34  -4.926  -6.232   1.010
  276   1HD2  LEU  34          1HD2      LEU  34  -8.390  -5.220   1.099
  277   2HD2  LEU  34          2HD2      LEU  34  -8.317  -4.221   2.553
  278   3HD2  LEU  34          3HD2      LEU  34  -8.349  -5.981   2.692
  279    H    ASN  35           H        ASN  35  -3.841  -4.149   5.203
  280    HA   ASN  35           HA       ASN  35  -4.006  -5.131   7.922
  281   1HB   ASN  35          1HB       ASN  35  -3.450  -7.145   6.524
  282   2HB   ASN  35          2HB       ASN  35  -1.968  -6.333   6.037
  283   1HD2  ASN  35          1HD2      ASN  35  -2.566  -8.825   7.600
  284   2HD2  ASN  35          2HD2      ASN  35  -1.620  -8.657   9.044
  285    H    SER  36           H        SER  36  -2.965  -3.726   9.157
  286    HA   SER  36           HA       SER  36  -0.652  -2.298   8.030
  287   1HB   SER  36          1HB       SER  36  -1.511  -0.390   9.610
  288   2HB   SER  36          2HB       SER  36  -2.258  -0.611   8.019
  289    HG   SER  36           HG       SER  36  -3.963  -1.678   8.982
  290    H    THR  37           H        THR  37  -0.632  -4.689   9.616
  291    HA   THR  37           HA       THR  37  -0.091  -4.065  12.344
  292    HB   THR  37           HB       THR  37  -0.782  -6.318  11.364
  293    HG1  THR  37           HG1      THR  37   0.922  -5.745  13.459
  294   1HG2  THR  37          1HG2      THR  37   2.189  -6.475  10.863
  295   2HG2  THR  37          2HG2      THR  37   0.900  -6.617   9.667
  296   3HG2  THR  37          3HG2      THR  37   1.106  -7.868  10.892
  297    H    ASN  38           H        ASN  38   1.625  -3.496   9.566
  298    HA   ASN  38           HA       ASN  38   4.229  -3.489  10.940
  299   1HB   ASN  38          1HB       ASN  38   3.919  -4.922   8.867
  300   2HB   ASN  38          2HB       ASN  38   3.677  -3.442   7.959
  301   1HD2  ASN  38          1HD2      ASN  38   5.674  -5.390   7.490
  302   2HD2  ASN  38          2HD2      ASN  38   7.222  -4.653   7.747
  303    H    LYS  39           H        LYS  39   5.520  -1.497  10.650
  304    HA   LYS  39           HA       LYS  39   3.758   0.792  10.130
  305   1HB   LYS  39          1HB       LYS  39   5.373   2.150  11.385
  306   2HB   LYS  39          2HB       LYS  39   4.711   0.838  12.343
  307   1HG   LYS  39          1HG       LYS  39   6.715  -0.220  12.522
  308   2HG   LYS  39          2HG       LYS  39   7.291   0.365  10.962
  309   1HD   LYS  39          1HD       LYS  39   6.916   2.189  13.318
  310   2HD   LYS  39          2HD       LYS  39   8.424   1.316  13.026
  311   1HE   LYS  39          1HE       LYS  39   8.205   2.356  10.631
  312   2HE   LYS  39          2HE       LYS  39   7.163   3.519  11.451
  313   1HZ   LYS  39          1HZ       LYS  39   9.934   2.886  12.311
  314   2HZ   LYS  39          2HZ       LYS  39   8.944   4.133  12.890
  315   3HZ   LYS  39          3HZ       LYS  39   9.532   4.189  11.305
  316    H    ASP  40           H        ASP  40   6.081  -0.942   8.551
  317    HA   ASP  40           HA       ASP  40   7.043   1.429   7.092
  318   1HB   ASP  40          1HB       ASP  40   8.178  -1.380   7.197
  319   2HB   ASP  40          2HB       ASP  40   8.820  -0.074   6.200
  320    H    TRP  41           H        TRP  41   5.338  -1.570   6.835
  321    HA   TRP  41           HA       TRP  41   4.661  -0.967   4.040
  322   1HB   TRP  41          1HB       TRP  41   5.313  -3.687   5.199
  323   2HB   TRP  41          2HB       TRP  41   4.660  -3.414   3.596
  324    HD1  TRP  41           HD1      TRP  41   7.872  -3.052   5.621
  325    HE1  TRP  41           HE1      TRP  41   9.841  -2.709   3.992
  326    HE3  TRP  41           HE3      TRP  41   5.247  -2.487   1.263
  327    HZ2  TRP  41           HZ2      TRP  41  10.217  -2.252   1.237
  328    HZ3  TRP  41           HZ3      TRP  41   6.483  -2.102  -0.816
  329    HH2  TRP  41           HH2      TRP  41   8.921  -1.980  -0.831
  330    H    TRP  42           H        TRP  42   2.542  -1.074   3.570
  331    HA   TRP  42           HA       TRP  42   0.734  -2.300   5.557
  332   1HB   TRP  42          1HB       TRP  42   0.523   0.328   4.094
  333   2HB   TRP  42          2HB       TRP  42  -0.935  -0.518   4.625
  334    HD1  TRP  42           HD1      TRP  42   1.662  -1.119   7.126
  335    HE1  TRP  42           HE1      TRP  42   1.399   0.447   9.144
  336    HE3  TRP  42           HE3      TRP  42  -1.625   2.217   5.143
  337    HZ2  TRP  42           HZ2      TRP  42  -0.021   2.793   9.799
  338    HZ3  TRP  42           HZ3      TRP  42  -2.405   4.109   6.531
  339    HH2  TRP  42           HH2      TRP  42  -1.610   4.377   8.811
  340    H    LYS  43           H        LYS  43  -0.718  -3.741   4.752
  341    HA   LYS  43           HA       LYS  43  -0.566  -4.318   1.906
  342   1HB   LYS  43          1HB       LYS  43  -0.581  -6.204   3.531
  343   2HB   LYS  43          2HB       LYS  43  -2.197  -5.722   4.043
  344   1HG   LYS  43          1HG       LYS  43  -3.055  -6.120   1.788
  345   2HG   LYS  43          2HG       LYS  43  -1.441  -6.569   1.248
  346   1HD   LYS  43          1HD       LYS  43  -3.289  -8.362   2.009
  347   2HD   LYS  43          2HD       LYS  43  -1.559  -8.635   2.146
  348   1HE   LYS  43          1HE       LYS  43  -1.646  -7.864   4.487
  349   2HE   LYS  43          2HE       LYS  43  -3.399  -7.671   4.346
  350   1HZ   LYS  43          1HZ       LYS  43  -2.974  -9.759   5.346
  351   2HZ   LYS  43          2HZ       LYS  43  -1.851 -10.197   4.150
  352   3HZ   LYS  43          3HZ       LYS  43  -3.496 -10.065   3.762
  353    H    VAL  44           H        VAL  44  -1.943  -3.573   0.474
  354    HA   VAL  44           HA       VAL  44  -4.591  -2.672   1.370
  355    HB   VAL  44           HB       VAL  44  -4.417  -0.756  -0.224
  356   1HG1  VAL  44          1HG1      VAL  44  -4.126  -0.364   2.147
  357   2HG1  VAL  44          2HG1      VAL  44  -3.012   0.654   1.235
  358   3HG1  VAL  44          3HG1      VAL  44  -2.421  -0.801   2.038
  359   1HG2  VAL  44          1HG2      VAL  44  -1.493  -1.493  -0.269
  360   2HG2  VAL  44          2HG2      VAL  44  -2.205  -0.044  -0.979
  361   3HG2  VAL  44          3HG2      VAL  44  -2.619  -1.636  -1.620
  362    H    GLU  45           H        GLU  45  -5.939  -2.146  -0.697
  363    HA   GLU  45           HA       GLU  45  -5.377  -4.155  -2.768
  364   1HB   GLU  45          1HB       GLU  45  -7.068  -5.068  -1.229
  365   2HB   GLU  45          2HB       GLU  45  -8.051  -3.630  -1.454
  366   1HG   GLU  45          1HG       GLU  45  -8.002  -4.265  -3.956
  367   2HG   GLU  45          2HG       GLU  45  -7.510  -5.854  -3.371
  368    H    VAL  46           H        VAL  46  -5.500  -3.411  -4.760
  369    HA   VAL  46           HA       VAL  46  -7.000  -0.913  -5.259
  370    HB   VAL  46           HB       VAL  46  -5.349  -1.382  -7.464
  371   1HG1  VAL  46          1HG1      VAL  46  -4.882   0.629  -5.290
  372   2HG1  VAL  46          2HG1      VAL  46  -6.153   0.750  -6.515
  373   3HG1  VAL  46          3HG1      VAL  46  -4.454   0.753  -7.001
  374   1HG2  VAL  46          1HG2      VAL  46  -3.089  -1.369  -6.515
  375   2HG2  VAL  46          2HG2      VAL  46  -3.969  -2.865  -6.205
  376   3HG2  VAL  46          3HG2      VAL  46  -3.780  -1.672  -4.919
  377    H    ASN  47           H        ASN  47  -8.793  -1.371  -6.248
  378    HA   ASN  47           HA       ASN  47 -10.395  -2.177  -7.556
  379   1HB   ASN  47          1HB       ASN  47  -9.871  -2.722  -9.831
  380   2HB   ASN  47          2HB       ASN  47  -8.973  -1.335  -9.328
  381   1HD2  ASN  47          1HD2      ASN  47  -6.781  -1.344  -9.614
  382   2HD2  ASN  47          2HD2      ASN  47  -5.904  -2.701 -10.246
  383    H    ASP  48           H        ASP  48  -7.797  -4.477  -7.702
  384    HA   ASP  48           HA       ASP  48  -9.393  -6.593  -6.530
  385   1HB   ASP  48          1HB       ASP  48 -10.152  -6.672  -8.893
  386   2HB   ASP  48          2HB       ASP  48  -8.482  -6.913  -9.402
  387    H    ARG  49           H        ARG  49  -6.506  -5.146  -7.231
  388    HA   ARG  49           HA       ARG  49  -4.887  -7.557  -6.937
  389   1HB   ARG  49          1HB       ARG  49  -4.068  -4.681  -7.409
  390   2HB   ARG  49          2HB       ARG  49  -2.963  -6.041  -7.333
  391   1HG   ARG  49          1HG       ARG  49  -5.120  -5.658  -9.412
  392   2HG   ARG  49          2HG       ARG  49  -3.406  -5.336  -9.631
  393   1HD   ARG  49          1HD       ARG  49  -3.555  -7.425 -10.542
  394   2HD   ARG  49          2HD       ARG  49  -3.147  -7.829  -8.880
  395    HE   ARG  49           HE       ARG  49  -5.981  -7.752  -9.339
  396   1HH1  ARG  49          1HH1      ARG  49  -3.094  -9.714  -9.601
  397   2HH1  ARG  49          2HH1      ARG  49  -3.965 -11.225  -9.588
  398   1HH2  ARG  49          1HH2      ARG  49  -7.138  -9.739  -9.316
  399   2HH2  ARG  49          2HH2      ARG  49  -6.249 -11.235  -9.423
  400    H    GLN  50           H        GLN  50  -4.507  -8.241  -4.962
  401    HA   GLN  50           HA       GLN  50  -4.433  -6.314  -2.747
  402   1HB   GLN  50          1HB       GLN  50  -4.767  -9.305  -2.889
  403   2HB   GLN  50          2HB       GLN  50  -4.368  -8.501  -1.380
  404   1HG   GLN  50          1HG       GLN  50  -6.424  -7.109  -1.673
  405   2HG   GLN  50          2HG       GLN  50  -6.839  -8.132  -3.047
  406   1HE2  GLN  50          1HE2      GLN  50  -5.216  -9.462  -0.287
  407   2HE2  GLN  50          2HE2      GLN  50  -6.567 -10.346   0.339
  408    H    GLY  51           H        GLY  51  -2.613  -5.917  -1.606
  409   1HA   GLY  51          1HA       GLY  51  -0.484  -7.540  -1.237
  410   2HA   GLY  51          2HA       GLY  51  -0.046  -6.740  -2.672
  411    H    PHE  52           H        PHE  52   1.727  -6.184  -1.112
  412    HA   PHE  52           HA       PHE  52   1.016  -4.203   0.892
  413   1HB   PHE  52          1HB       PHE  52   3.518  -5.753   0.291
  414   2HB   PHE  52          2HB       PHE  52   3.489  -4.426   1.452
  415    HD1  PHE  52           HD1      PHE  52   3.018  -4.874   3.651
  416    HD2  PHE  52           HD2      PHE  52   1.706  -7.602   0.647
  417    HE1  PHE  52           HE1      PHE  52   2.255  -6.431   5.405
  418    HE2  PHE  52           HE2      PHE  52   0.962  -9.159   2.395
  419    HZ   PHE  52           HZ       PHE  52   1.217  -8.575   4.768
  420    H    VAL  53           H        VAL  53   1.834  -2.218   1.060
  421    HA   VAL  53           HA       VAL  53   3.541  -1.116  -1.042
  422    HB   VAL  53           HB       VAL  53   2.176   0.877  -1.282
  423   1HG1  VAL  53          1HG1      VAL  53   0.438  -1.548  -1.605
  424   2HG1  VAL  53          2HG1      VAL  53   1.672  -1.023  -2.751
  425   3HG1  VAL  53          3HG1      VAL  53   0.256  -0.011  -2.450
  426   1HG2  VAL  53          1HG2      VAL  53  -0.169   0.849  -0.272
  427   2HG2  VAL  53          2HG2      VAL  53   1.178   1.194   0.817
  428   3HG2  VAL  53          3HG2      VAL  53   0.441  -0.408   0.803
  429    HA   PRO  54           HA       PRO  54   5.609   0.841   2.347
  430   1HB   PRO  54          1HB       PRO  54   5.462   3.402   0.846
  431   2HB   PRO  54          2HB       PRO  54   6.881   2.551   1.467
  432   1HG   PRO  54          1HG       PRO  54   6.350   2.547  -1.133
  433   2HG   PRO  54          2HG       PRO  54   6.936   1.074  -0.336
  434   1HD   PRO  54          1HD       PRO  54   4.151   1.800  -1.163
  435   2HD   PRO  54          2HD       PRO  54   4.999   0.246  -1.311
  436    H    ALA  55           H        ALA  55   4.755   1.508   4.233
  437    HA   ALA  55           HA       ALA  55   2.170   2.660   4.450
  438   1HB   ALA  55          1HB       ALA  55   2.709   2.920   6.822
  439   2HB   ALA  55          2HB       ALA  55   4.403   2.568   6.478
  440   3HB   ALA  55          3HB       ALA  55   3.176   1.324   6.233
  441    H    ALA  56           H        ALA  56   5.349   3.985   4.086
  442    HA   ALA  56           HA       ALA  56   4.710   6.653   4.934
  443   1HB   ALA  56          1HB       ALA  56   6.914   7.234   4.142
  444   2HB   ALA  56          2HB       ALA  56   7.037   5.716   3.250
  445   3HB   ALA  56          3HB       ALA  56   7.005   5.703   5.014
  446    H    TYR  57           H        TYR  57   3.867   4.855   2.302
  447    HA   TYR  57           HA       TYR  57   3.780   7.165   0.464
  448   1HB   TYR  57          1HB       TYR  57   3.700   4.187   0.016
  449   2HB   TYR  57          2HB       TYR  57   3.087   5.303  -1.203
  450    HD1  TYR  57           HD1      TYR  57   4.542   5.334  -2.965
  451    HD2  TYR  57           HD2      TYR  57   6.136   5.393   0.982
  452    HE1  TYR  57           HE1      TYR  57   6.806   5.566  -3.888
  453    HE2  TYR  57           HE2      TYR  57   8.395   5.651   0.070
  454    HH   TYR  57           HH       TYR  57   9.646   5.430  -1.816
  455    H    VAL  58           H        VAL  58   1.968   5.906   2.769
  456    HA   VAL  58           HA       VAL  58  -0.515   6.558   1.393
  457    HB   VAL  58           HB       VAL  58   0.330   3.926   2.017
  458   1HG1  VAL  58          1HG1      VAL  58  -1.994   4.847   3.664
  459   2HG1  VAL  58          2HG1      VAL  58  -0.524   4.031   4.201
  460   3HG1  VAL  58          3HG1      VAL  58  -1.718   3.158   3.237
  461   1HG2  VAL  58          1HG2      VAL  58  -1.684   3.278   0.854
  462   2HG2  VAL  58          2HG2      VAL  58  -0.895   4.626   0.028
  463   3HG2  VAL  58          3HG2      VAL  58  -2.329   4.913   1.019
  464    H    LYS  59           H        LYS  59  -2.142   7.366   2.753
  465    HA   LYS  59           HA       LYS  59  -1.469   7.643   5.601
  466   1HB   LYS  59          1HB       LYS  59  -0.931   9.824   5.219
  467   2HB   LYS  59          2HB       LYS  59  -1.589   9.765   3.591
  468   1HG   LYS  59          1HG       LYS  59  -3.687   9.823   5.593
  469   2HG   LYS  59          2HG       LYS  59  -2.592  11.200   5.731
  470   1HD   LYS  59          1HD       LYS  59  -3.100  11.984   3.613
  471   2HD   LYS  59          2HD       LYS  59  -3.621  10.400   3.041
  472   1HE   LYS  59          1HE       LYS  59  -5.556  11.803   3.262
  473   2HE   LYS  59          2HE       LYS  59  -5.606  10.570   4.519
  474   1HZ   LYS  59          1HZ       LYS  59  -6.206  12.798   5.320
  475   2HZ   LYS  59          2HZ       LYS  59  -4.654  13.355   4.928
  476   3HZ   LYS  59          3HZ       LYS  59  -4.852  12.169   6.123
  477    H    LYS  60           H        LYS  60  -3.146   7.516   6.990
  478    HA   LYS  60           HA       LYS  60  -5.581   6.361   6.253
  479   1HB   LYS  60          1HB       LYS  60  -4.519   7.553   8.725
  480   2HB   LYS  60          2HB       LYS  60  -6.233   7.809   8.534
  481   1HG   LYS  60          1HG       LYS  60  -5.791   5.871   9.896
  482   2HG   LYS  60          2HG       LYS  60  -6.603   5.400   8.407
  483   1HD   LYS  60          1HD       LYS  60  -4.755   4.342   7.595
  484   2HD   LYS  60          2HD       LYS  60  -3.633   5.365   8.474
  485   1HE   LYS  60          1HE       LYS  60  -3.656   3.071   9.371
  486   2HE   LYS  60          2HE       LYS  60  -4.243   4.219  10.554
  487   1HZ   LYS  60          1HZ       LYS  60  -6.265   3.007   8.861
  488   2HZ   LYS  60          2HZ       LYS  60  -6.305   3.381  10.520
  489   3HZ   LYS  60          3HZ       LYS  60  -5.514   1.980   9.990
  490    H    LEU  61           H        LEU  61  -7.452   7.121   5.489
  491    HA   LEU  61           HA       LEU  61  -7.586   9.945   4.827
  492   1HB   LEU  61          1HB       LEU  61  -9.263   7.560   4.115
  493   2HB   LEU  61          2HB       LEU  61  -9.819   9.183   3.774
  494    HG   LEU  61           HG       LEU  61  -7.168   8.199   2.764
  495   1HD1  LEU  61          1HD1      LEU  61  -8.234   7.555   0.698
  496   2HD1  LEU  61          2HD1      LEU  61  -9.816   7.996   1.340
  497   3HD1  LEU  61          3HD1      LEU  61  -8.932   6.637   2.034
  498   1HD2  LEU  61          1HD2      LEU  61  -7.379  10.549   2.571
  499   2HD2  LEU  61          2HD2      LEU  61  -9.049  10.426   2.020
  500   3HD2  LEU  61          3HD2      LEU  61  -7.733   9.897   0.973
  501    H    ASP  62           H        ASP  62  -8.821   7.807   7.205
  502    HA   ASP  62           HA       ASP  62 -10.292  10.006   8.419
  503   1HB   ASP  62          1HB       ASP  62 -11.962   8.867   6.984
  504   2HB   ASP  62          2HB       ASP  62 -11.640   7.358   7.834
  505   1H    ACE   0          1H        ACE   0   4.127 -11.775   4.148
  506   2H    ACE   0          2H        ACE   0   4.573 -11.834   2.443
  507   3H    ACE   0          3H        ACE   0   3.020 -11.135   2.894
  508    H    ALA   1           H        ALA   1   4.849 -10.141   5.302
  509    HA   ALA   1           HA       ALA   1   5.217  -7.523   4.121
  510   1HB   ALA   1          1HB       ALA   1   4.275  -7.666   6.348
  511   2HB   ALA   1          2HB       ALA   1   5.829  -6.835   6.408
  512   3HB   ALA   1          3HB       ALA   1   5.705  -8.517   6.927
  513    HA   PRO   2           HA       PRO   2   9.423  -8.333   2.860
  514   1HB   PRO   2          1HB       PRO   2   9.494  -5.364   2.834
  515   2HB   PRO   2          2HB       PRO   2   9.904  -6.513   1.556
  516   1HG   PRO   2          1HG       PRO   2   7.645  -5.120   1.440
  517   2HG   PRO   2          2HG       PRO   2   7.687  -6.824   0.941
  518   1HD   PRO   2          1HD       PRO   2   6.658  -5.615   3.480
  519   2HD   PRO   2          2HD       PRO   2   5.981  -6.936   2.506
  520    H    SER   3           H        SER   3  11.421  -8.310   3.792
  521    HA   SER   3           HA       SER   3  11.567  -7.231   6.508
  522   1HB   SER   3          1HB       SER   3  13.308  -9.226   5.048
  523   2HB   SER   3          2HB       SER   3  13.547  -8.723   6.722
  524    HG   SER   3           HG       SER   3  11.362  -9.473   7.105
  525    H    TYR   4           H        TYR   4  11.709  -5.248   4.656
  526    HA   TYR   4           HA       TYR   4  14.291  -4.124   5.216
  527   1HB   TYR   4          1HB       TYR   4  14.727  -3.559   2.782
  528   2HB   TYR   4          2HB       TYR   4  14.985  -5.240   3.230
  529    HD1  TYR   4           HD1      TYR   4  12.733  -2.925   1.449
  530    HD2  TYR   4           HD2      TYR   4  13.671  -6.992   2.268
  531    HE1  TYR   4           HE1      TYR   4  11.230  -3.630  -0.360
  532    HE2  TYR   4           HE2      TYR   4  12.166  -7.706   0.458
  533    HH   TYR   4           HH       TYR   4  10.269  -6.889  -0.807
  534    H    SER   5           H        SER   5  14.372  -1.844   4.707
  535    HA   SER   5           HA       SER   5  11.877  -0.571   5.162
  536   1HB   SER   5          1HB       SER   5  14.501   0.696   4.346
  537   2HB   SER   5          2HB       SER   5  13.141   1.496   5.137
  538    HG   SER   5           HG       SER   5  13.472   0.071   6.927
  539    HA   PRO   6           HA       PRO   6  10.368   0.032   1.055
  540   1HB   PRO   6          1HB       PRO   6   9.002   2.379   1.472
  541   2HB   PRO   6          2HB       PRO   6   8.393   0.784   1.923
  542   1HG   PRO   6          1HG       PRO   6   9.720   2.856   3.619
  543   2HG   PRO   6          2HG       PRO   6   8.337   1.812   3.997
  544   1HD   PRO   6          1HD       PRO   6  10.811   1.290   4.919
  545   2HD   PRO   6          2HD       PRO   6   9.680  -0.005   4.477
  546    HA   PRO   7           HA       PRO   7  13.055   2.762  -1.137
  547   1HB   PRO   7          1HB       PRO   7  11.354   3.773  -3.054
  548   2HB   PRO   7          2HB       PRO   7  12.118   2.183  -3.136
  549   1HG   PRO   7          1HG       PRO   7   9.359   2.914  -2.243
  550   2HG   PRO   7          2HG       PRO   7   9.889   1.549  -3.245
  551   1HD   PRO   7          1HD       PRO   7   9.300   1.233  -0.650
  552   2HD   PRO   7          2HD       PRO   7  10.628   0.332  -1.414
  553    HA   PRO   8           HA       PRO   8  12.812   6.819   0.584
  554   1HB   PRO   8          1HB       PRO   8  13.899   8.216  -1.570
  555   2HB   PRO   8          2HB       PRO   8  14.814   7.445  -0.273
  556   1HG   PRO   8          1HG       PRO   8  14.205   6.438  -3.015
  557   2HG   PRO   8          2HG       PRO   8  15.686   6.268  -2.053
  558   1HD   PRO   8          1HD       PRO   8  13.976   4.233  -2.312
  559   2HD   PRO   8          2HD       PRO   8  14.804   4.543  -0.771
  560    HA   PRO   9           HA       PRO   9   8.872   8.089  -1.184
  561   1HB   PRO   9          1HB       PRO   9   9.019  10.091   0.984
  562   2HB   PRO   9          2HB       PRO   9   7.770   8.887   0.649
  563   1HG   PRO   9          1HG       PRO   9   9.441   8.611   2.718
  564   2HG   PRO   9          2HG       PRO   9   8.895   7.211   1.776
  565   1HD   PRO   9          1HD       PRO   9  11.508   8.670   1.659
  566   2HD   PRO   9          2HD       PRO   9  11.188   6.924   1.593
  567    HA   PRO  10           HA       PRO  10  10.698  11.588  -3.339
  568   1HB   PRO  10          1HB       PRO  10   9.166  11.427  -5.541
  569   2HB   PRO  10          2HB       PRO  10  10.480  10.283  -5.239
  570   1HG   PRO  10          1HG       PRO  10   7.538   9.934  -4.888
  571   2HG   PRO  10          2HG       PRO  10   8.746   8.770  -5.459
  572   1HD   PRO  10          1HD       PRO  10   7.703   8.873  -2.891
  573   2HD   PRO  10          2HD       PRO  10   9.219   8.075  -3.347
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  -9.645  -8.921  -2.057
    2   2H    MET   1          2H        MET   1 -10.112  -7.962  -3.373
    3   3H    MET   1          3H        MET   1  -9.512  -9.527  -3.632
    4    HA   MET   1           HA       MET   1 -11.896  -9.479  -3.892
    5   1HB   MET   1          1HB       MET   1 -10.516 -11.060  -1.817
    6   2HB   MET   1          2HB       MET   1 -12.272 -11.065  -1.714
    7   1HG   MET   1          1HG       MET   1 -10.776 -11.717  -4.234
    8   2HG   MET   1          2HG       MET   1 -11.230 -12.930  -3.038
    9   1HE   MET   1          1HE       MET   1 -12.336 -14.104  -5.233
   10   2HE   MET   1          2HE       MET   1 -12.085 -12.702  -6.274
   11   3HE   MET   1          3HE       MET   1 -13.693 -13.411  -6.122
   12    H    ASP   2           H        ASP   2 -11.579  -6.958  -2.850
   13    HA   ASP   2           HA       ASP   2 -13.774  -6.882  -0.881
   14   1HB   ASP   2          1HB       ASP   2 -11.341  -6.345   0.043
   15   2HB   ASP   2          2HB       ASP   2 -11.628  -4.784  -0.722
   16    H    GLU   3           H        GLU   3 -14.197  -4.187  -0.766
   17    HA   GLU   3           HA       GLU   3 -14.258  -3.289  -3.586
   18   1HB   GLU   3          1HB       GLU   3 -16.749  -3.777  -1.911
   19   2HB   GLU   3          2HB       GLU   3 -16.750  -2.465  -3.088
   20   1HG   GLU   3          1HG       GLU   3 -16.220  -4.044  -4.858
   21   2HG   GLU   3          2HG       GLU   3 -16.162  -5.360  -3.685
   22    H    THR   4           H        THR   4 -12.523  -2.267  -1.888
   23    HA   THR   4           HA       THR   4 -11.837  -0.503  -0.596
   24    HB   THR   4           HB       THR   4 -13.451   1.210  -2.453
   25    HG1  THR   4           HG1      THR   4 -11.396  -0.611  -3.154
   26   1HG2  THR   4          1HG2      THR   4 -11.515   2.585  -2.559
   27   2HG2  THR   4          2HG2      THR   4 -10.523   1.361  -1.771
   28   3HG2  THR   4          3HG2      THR   4 -11.779   2.203  -0.858
   29    H    GLY   5           H        GLY   5 -14.048  -1.638   0.652
   30   1HA   GLY   5          1HA       GLY   5 -15.458   0.751   1.674
   31   2HA   GLY   5          2HA       GLY   5 -16.256  -0.801   1.471
   32    H    LYS   6           H        LYS   6 -13.755   0.895   3.219
   33    HA   LYS   6           HA       LYS   6 -14.374   0.183   5.767
   34   1HB   LYS   6          1HB       LYS   6 -12.812  -1.587   6.377
   35   2HB   LYS   6          2HB       LYS   6 -13.954  -2.165   5.176
   36   1HG   LYS   6          1HG       LYS   6 -12.214  -1.786   3.435
   37   2HG   LYS   6          2HG       LYS   6 -11.092  -1.392   4.739
   38   1HD   LYS   6          1HD       LYS   6 -11.134  -3.806   3.785
   39   2HD   LYS   6          2HD       LYS   6 -11.024  -3.563   5.528
   40   1HE   LYS   6          1HE       LYS   6 -12.632  -5.323   4.961
   41   2HE   LYS   6          2HE       LYS   6 -13.413  -3.958   5.755
   42   1HZ   LYS   6          1HZ       LYS   6 -14.782  -4.595   3.962
   43   2HZ   LYS   6          2HZ       LYS   6 -13.485  -4.652   2.867
   44   3HZ   LYS   6          3HZ       LYS   6 -14.020  -3.165   3.478
   45    H    GLU   7           H        GLU   7 -11.644  -0.290   6.649
   46    HA   GLU   7           HA       GLU   7 -10.705   2.293   6.986
   47   1HB   GLU   7          1HB       GLU   7  -9.969   0.316   8.298
   48   2HB   GLU   7          2HB       GLU   7  -9.083  -0.270   6.900
   49   1HG   GLU   7          1HG       GLU   7  -7.683   0.797   8.622
   50   2HG   GLU   7          2HG       GLU   7  -7.539   1.522   7.021
   51    H    LEU   8           H        LEU   8 -10.048   3.722   5.478
   52    HA   LEU   8           HA       LEU   8  -8.766   2.657   3.048
   53   1HB   LEU   8          1HB       LEU   8 -10.369   5.182   3.394
   54   2HB   LEU   8          2HB       LEU   8  -9.584   4.679   1.911
   55    HG   LEU   8           HG       LEU   8 -11.744   3.123   3.298
   56   1HD1  LEU   8          1HD1      LEU   8 -13.209   3.850   1.461
   57   2HD1  LEU   8          2HD1      LEU   8 -11.941   4.940   0.903
   58   3HD1  LEU   8          3HD1      LEU   8 -12.692   5.191   2.480
   59   1HD2  LEU   8          1HD2      LEU   8 -11.865   1.887   1.185
   60   2HD2  LEU   8          2HD2      LEU   8 -10.306   1.717   1.988
   61   3HD2  LEU   8          3HD2      LEU   8 -10.470   2.792   0.600
   62    H    VAL   9           H        VAL   9  -7.344   4.070   1.937
   63    HA   VAL   9           HA       VAL   9  -5.917   6.046   3.555
   64    HB   VAL   9           HB       VAL   9  -3.742   5.036   2.579
   65   1HG1  VAL   9          1HG1      VAL   9  -3.557   3.484   4.542
   66   2HG1  VAL   9          2HG1      VAL   9  -5.244   3.870   4.895
   67   3HG1  VAL   9          3HG1      VAL   9  -4.022   5.147   4.899
   68   1HG2  VAL   9          1HG2      VAL   9  -5.567   2.648   2.477
   69   2HG2  VAL   9          2HG2      VAL   9  -3.806   2.555   2.449
   70   3HG2  VAL   9          3HG2      VAL   9  -4.669   3.372   1.145
   71    H    LEU  10           H        LEU  10  -4.442   7.329   2.296
   72    HA   LEU  10           HA       LEU  10  -5.328   7.572  -0.507
   73   1HB   LEU  10          1HB       LEU  10  -5.894   9.525   0.811
   74   2HB   LEU  10          2HB       LEU  10  -4.246   9.647   1.399
   75    HG   LEU  10           HG       LEU  10  -3.705   9.875  -1.183
   76   1HD1  LEU  10          1HD1      LEU  10  -5.481  11.258  -2.260
   77   2HD1  LEU  10          2HD1      LEU  10  -6.565  10.779  -0.954
   78   3HD1  LEU  10          3HD1      LEU  10  -5.906   9.558  -2.044
   79   1HD2  LEU  10          1HD2      LEU  10  -3.753  12.292  -0.910
   80   2HD2  LEU  10          2HD2      LEU  10  -3.171  11.508   0.560
   81   3HD2  LEU  10          3HD2      LEU  10  -4.823  12.124   0.483
   82    H    ALA  11           H        ALA  11  -3.841   7.455  -2.098
   83    HA   ALA  11           HA       ALA  11  -1.165   6.665  -1.371
   84   1HB   ALA  11          1HB       ALA  11  -2.029   7.166  -4.198
   85   2HB   ALA  11          2HB       ALA  11  -2.633   5.762  -3.315
   86   3HB   ALA  11          3HB       ALA  11  -0.901   5.964  -3.563
   87    H    LEU  12           H        LEU  12   0.199   8.224  -0.784
   88    HA   LEU  12           HA       LEU  12   0.021  10.917  -1.602
   89   1HB   LEU  12          1HB       LEU  12   2.067   9.299  -0.120
   90   2HB   LEU  12          2HB       LEU  12   2.402  10.965  -0.586
   91    HG   LEU  12           HG       LEU  12   0.314  11.634   0.637
   92   1HD1  LEU  12          1HD1      LEU  12   0.435   8.783   1.556
   93   2HD1  LEU  12          2HD1      LEU  12  -0.897   9.613   0.744
   94   3HD1  LEU  12          3HD1      LEU  12  -0.460  10.052   2.396
   95   1HD2  LEU  12          1HD2      LEU  12   1.367  11.498   2.866
   96   2HD2  LEU  12          2HD2      LEU  12   2.521  11.969   1.615
   97   3HD2  LEU  12          3HD2      LEU  12   2.512  10.316   2.232
   98    H    TYR  13           H        TYR  13   1.954   8.196  -2.757
   99    HA   TYR  13           HA       TYR  13   2.783   9.845  -5.030
  100   1HB   TYR  13          1HB       TYR  13   4.866   8.028  -3.913
  101   2HB   TYR  13          2HB       TYR  13   5.056   9.538  -4.788
  102    HD1  TYR  13           HD1      TYR  13   4.933  11.687  -3.597
  103    HD2  TYR  13           HD2      TYR  13   4.710   7.982  -1.521
  104    HE1  TYR  13           HE1      TYR  13   5.399  12.851  -1.484
  105    HE2  TYR  13           HE2      TYR  13   5.175   9.134   0.600
  106    HH   TYR  13           HH       TYR  13   4.993  12.490   0.938
  107    H    ASP  14           H        ASP  14   3.963   8.356  -6.674
  108    HA   ASP  14           HA       ASP  14   2.275   6.065  -7.116
  109   1HB   ASP  14          1HB       ASP  14   3.619   5.875  -9.263
  110   2HB   ASP  14          2HB       ASP  14   2.694   7.361  -9.085
  111    H    TYR  15           H        TYR  15   2.970   3.986  -7.166
  112    HA   TYR  15           HA       TYR  15   5.726   3.425  -6.373
  113   1HB   TYR  15          1HB       TYR  15   4.567   3.504  -4.254
  114   2HB   TYR  15          2HB       TYR  15   3.286   2.463  -4.867
  115    HD1  TYR  15           HD1      TYR  15   3.388   0.196  -4.360
  116    HD2  TYR  15           HD2      TYR  15   6.975   2.473  -4.413
  117    HE1  TYR  15           HE1      TYR  15   4.644  -1.781  -3.605
  118    HE2  TYR  15           HE2      TYR  15   8.238   0.512  -3.666
  119    HH   TYR  15           HH       TYR  15   6.896  -2.645  -3.592
  120    H    GLN  16           H        GLN  16   6.504   1.486  -7.108
  121    HA   GLN  16           HA       GLN  16   4.661  -0.094  -8.793
  122   1HB   GLN  16          1HB       GLN  16   6.715   1.214  -9.782
  123   2HB   GLN  16          2HB       GLN  16   7.642  -0.131  -9.134
  124   1HG   GLN  16          1HG       GLN  16   7.268  -1.006 -11.165
  125   2HG   GLN  16          2HG       GLN  16   5.736  -1.489 -10.441
  126   1HE2  GLN  16          1HE2      GLN  16   4.840   1.363 -10.412
  127   2HE2  GLN  16          2HE2      GLN  16   4.382   1.706 -12.047
  128    H    GLU  17           H        GLU  17   4.446  -2.205  -8.357
  129    HA   GLU  17           HA       GLU  17   5.354  -3.276  -5.920
  130   1HB   GLU  17          1HB       GLU  17   4.389  -5.392  -6.729
  131   2HB   GLU  17          2HB       GLU  17   3.302  -4.029  -6.963
  132   1HG   GLU  17          1HG       GLU  17   4.287  -3.931  -9.336
  133   2HG   GLU  17          2HG       GLU  17   4.861  -5.563  -8.998
  134    H    LYS  18           H        LYS  18   7.014  -4.608  -5.357
  135    HA   LYS  18           HA       LYS  18   8.951  -5.196  -7.511
  136   1HB   LYS  18          1HB       LYS  18   9.544  -4.986  -4.560
  137   2HB   LYS  18          2HB       LYS  18  10.710  -5.117  -5.873
  138   1HG   LYS  18          1HG       LYS  18  10.125  -2.894  -6.666
  139   2HG   LYS  18          2HG       LYS  18   8.829  -2.782  -5.475
  140   1HD   LYS  18          1HD       LYS  18  11.686  -3.205  -4.642
  141   2HD   LYS  18          2HD       LYS  18  11.050  -1.594  -4.971
  142   1HE   LYS  18          1HE       LYS  18  10.889  -2.000  -2.608
  143   2HE   LYS  18          2HE       LYS  18   9.260  -2.020  -3.283
  144   1HZ   LYS  18          1HZ       LYS  18  10.777  -4.529  -2.922
  145   2HZ   LYS  18          2HZ       LYS  18   9.098  -4.302  -3.040
  146   3HZ   LYS  18          3HZ       LYS  18   9.920  -3.838  -1.637
  147    H    SER  19           H        SER  19   7.183  -6.599  -4.816
  148    HA   SER  19           HA       SER  19   8.331  -9.214  -5.523
  149   1HB   SER  19          1HB       SER  19   7.895  -9.927  -3.236
  150   2HB   SER  19          2HB       SER  19   8.833  -8.428  -3.201
  151    HG   SER  19           HG       SER  19   7.209  -7.418  -2.299
  152    HA   PRO  20           HA       PRO  20   4.301 -10.756  -6.567
  153   1HB   PRO  20          1HB       PRO  20   4.694 -13.043  -4.723
  154   2HB   PRO  20          2HB       PRO  20   4.436 -13.049  -6.472
  155   1HG   PRO  20          1HG       PRO  20   6.824 -13.616  -5.491
  156   2HG   PRO  20          2HG       PRO  20   6.686 -12.559  -6.913
  157   1HD   PRO  20          1HD       PRO  20   7.046 -11.794  -4.028
  158   2HD   PRO  20          2HD       PRO  20   7.966 -11.234  -5.447
  159    H    ALA  21           H        ALA  21   5.048  -9.846  -3.439
  160    HA   ALA  21           HA       ALA  21   2.273 -10.172  -2.527
  161   1HB   ALA  21          1HB       ALA  21   3.202  -9.901  -0.222
  162   2HB   ALA  21          2HB       ALA  21   4.820  -9.944  -0.925
  163   3HB   ALA  21          3HB       ALA  21   3.768 -11.353  -1.053
  164    H    GLU  22           H        GLU  22   3.681  -8.115  -4.211
  165    HA   GLU  22           HA       GLU  22   3.024  -5.747  -2.583
  166   1HB   GLU  22          1HB       GLU  22   5.396  -6.335  -4.238
  167   2HB   GLU  22          2HB       GLU  22   4.667  -4.765  -4.542
  168   1HG   GLU  22          1HG       GLU  22   5.257  -3.947  -2.532
  169   2HG   GLU  22          2HG       GLU  22   5.114  -5.502  -1.711
  170    H    VAL  23           H        VAL  23   2.080  -3.964  -3.745
  171    HA   VAL  23           HA       VAL  23   1.016  -4.682  -6.385
  172    HB   VAL  23           HB       VAL  23  -1.120  -3.411  -5.671
  173   1HG1  VAL  23          1HG1      VAL  23  -0.495  -6.175  -4.690
  174   2HG1  VAL  23          2HG1      VAL  23  -1.200  -5.717  -6.243
  175   3HG1  VAL  23          3HG1      VAL  23  -2.117  -5.486  -4.756
  176   1HG2  VAL  23          1HG2      VAL  23  -1.067  -2.585  -3.606
  177   2HG2  VAL  23          2HG2      VAL  23   0.282  -3.618  -3.136
  178   3HG2  VAL  23          3HG2      VAL  23  -1.364  -4.239  -3.080
  179    H    THR  24           H        THR  24   0.580  -2.975  -7.771
  180    HA   THR  24           HA       THR  24   2.251  -0.655  -7.299
  181    HB   THR  24           HB       THR  24   0.695  -1.577  -9.720
  182    HG1  THR  24           HG1      THR  24   2.396  -2.914  -9.536
  183   1HG2  THR  24          1HG2      THR  24   0.931   0.841  -9.802
  184   2HG2  THR  24          2HG2      THR  24   1.993   0.083 -10.987
  185   3HG2  THR  24          3HG2      THR  24   2.657   0.702  -9.475
  186    H    MET  25           H        MET  25   1.547   1.415  -7.013
  187    HA   MET  25           HA       MET  25  -1.337   1.933  -7.189
  188   1HB   MET  25          1HB       MET  25  -1.380   3.114  -5.094
  189   2HB   MET  25          2HB       MET  25  -0.731   1.497  -4.806
  190   1HG   MET  25          1HG       MET  25   1.432   2.295  -4.465
  191   2HG   MET  25          2HG       MET  25   1.086   3.831  -5.267
  192   1HE   MET  25          1HE       MET  25  -1.569   2.399  -2.894
  193   2HE   MET  25          2HE       MET  25  -1.052   2.936  -1.295
  194   3HE   MET  25          3HE       MET  25  -0.155   1.669  -2.132
  195    H    LYS  26           H        LYS  26  -1.856   4.248  -7.271
  196    HA   LYS  26           HA       LYS  26   0.364   5.835  -8.367
  197   1HB   LYS  26          1HB       LYS  26  -2.473   5.795  -9.434
  198   2HB   LYS  26          2HB       LYS  26  -1.179   6.832 -10.012
  199   1HG   LYS  26          1HG       LYS  26  -1.034   5.225 -11.584
  200   2HG   LYS  26          2HG       LYS  26   0.004   4.468 -10.373
  201   1HD   LYS  26          1HD       LYS  26  -1.808   3.101  -9.595
  202   2HD   LYS  26          2HD       LYS  26  -2.956   3.960 -10.625
  203   1HE   LYS  26          1HE       LYS  26  -1.678   3.166 -12.603
  204   2HE   LYS  26          2HE       LYS  26  -0.679   2.200 -11.517
  205   1HZ   LYS  26          1HZ       LYS  26  -2.425   0.866 -12.469
  206   2HZ   LYS  26          2HZ       LYS  26  -3.615   1.929 -11.897
  207   3HZ   LYS  26          3HZ       LYS  26  -2.683   1.026 -10.805
  208    H    LYS  27           H        LYS  27   0.209   8.091  -8.055
  209    HA   LYS  27           HA       LYS  27  -0.821   8.884  -5.568
  210   1HB   LYS  27          1HB       LYS  27   0.876  10.304  -6.169
  211   2HB   LYS  27          2HB       LYS  27   0.465  10.263  -7.874
  212   1HG   LYS  27          1HG       LYS  27  -0.329  12.315  -7.627
  213   2HG   LYS  27          2HG       LYS  27  -1.656  11.611  -6.705
  214   1HD   LYS  27          1HD       LYS  27  -0.849  13.225  -5.261
  215   2HD   LYS  27          2HD       LYS  27  -0.019  11.769  -4.704
  216   1HE   LYS  27          1HE       LYS  27   1.923  12.424  -6.119
  217   2HE   LYS  27          2HE       LYS  27   1.096  13.937  -6.479
  218   1HZ   LYS  27          1HZ       LYS  27   2.671  14.224  -4.680
  219   2HZ   LYS  27          2HZ       LYS  27   1.916  13.000  -3.781
  220   3HZ   LYS  27          3HZ       LYS  27   1.089  14.444  -4.106
  221    H    GLY  28           H        GLY  28  -2.735   9.666  -4.935
  222   1HA   GLY  28          1HA       GLY  28  -4.776  10.910  -5.233
  223   2HA   GLY  28          2HA       GLY  28  -4.601  10.691  -6.976
  224    H    ASP  29           H        ASP  29  -3.975   7.788  -5.469
  225    HA   ASP  29           HA       ASP  29  -6.645   6.840  -6.169
  226   1HB   ASP  29          1HB       ASP  29  -4.119   5.786  -6.695
  227   2HB   ASP  29          2HB       ASP  29  -4.749   4.774  -5.392
  228    H    ILE  30           H        ILE  30  -7.954   5.776  -4.746
  229    HA   ILE  30           HA       ILE  30  -7.206   6.068  -1.927
  230    HB   ILE  30           HB       ILE  30  -9.879   5.751  -3.300
  231   1HG1  ILE  30          1HG1      ILE  30 -10.465   7.772  -2.026
  232   2HG1  ILE  30          2HG1      ILE  30  -8.881   7.774  -1.266
  233   1HG2  ILE  30          1HG2      ILE  30  -9.337   5.427  -0.353
  234   2HG2  ILE  30          2HG2      ILE  30  -9.941   4.192  -1.457
  235   3HG2  ILE  30          3HG2      ILE  30 -10.937   5.596  -1.075
  236   1HD1  ILE  30          1HD1      ILE  30  -8.973   9.427  -3.014
  237   2HD1  ILE  30          2HD1      ILE  30  -9.482   8.212  -4.186
  238   3HD1  ILE  30          3HD1      ILE  30  -7.862   8.139  -3.487
  239    H    LEU  31           H        LEU  31  -6.258   4.371  -1.105
  240    HA   LEU  31           HA       LEU  31  -6.783   1.712  -2.202
  241   1HB   LEU  31          1HB       LEU  31  -4.601   2.915  -0.572
  242   2HB   LEU  31          2HB       LEU  31  -4.840   1.192  -0.522
  243    HG   LEU  31           HG       LEU  31  -3.062   1.991  -2.092
  244   1HD1  LEU  31          1HD1      LEU  31  -5.352   0.333  -3.081
  245   2HD1  LEU  31          2HD1      LEU  31  -3.833  -0.201  -2.359
  246   3HD1  LEU  31          3HD1      LEU  31  -3.842   0.511  -3.972
  247   1HD2  LEU  31          1HD2      LEU  31  -5.393   2.937  -3.754
  248   2HD2  LEU  31          2HD2      LEU  31  -3.698   2.898  -4.246
  249   3HD2  LEU  31          3HD2      LEU  31  -4.215   3.977  -2.951
  250    H    THR  32           H        THR  32  -7.477   0.027  -0.971
  251    HA   THR  32           HA       THR  32  -8.778   0.663   1.542
  252    HB   THR  32           HB       THR  32  -8.710  -2.034   0.207
  253    HG1  THR  32           HG1      THR  32  -9.871  -1.223  -1.356
  254   1HG2  THR  32          1HG2      THR  32 -10.705  -0.653   2.008
  255   2HG2  THR  32          2HG2      THR  32  -9.617  -1.967   2.459
  256   3HG2  THR  32          3HG2      THR  32 -10.914  -2.253   1.297
  257    H    LEU  33           H        LEU  33  -7.905   0.228   3.481
  258    HA   LEU  33           HA       LEU  33  -5.339  -1.080   3.598
  259   1HB   LEU  33          1HB       LEU  33  -6.917   0.615   5.352
  260   2HB   LEU  33          2HB       LEU  33  -6.212  -0.740   6.213
  261    HG   LEU  33           HG       LEU  33  -4.739   1.356   4.629
  262   1HD1  LEU  33          1HD1      LEU  33  -3.746   1.915   6.770
  263   2HD1  LEU  33          2HD1      LEU  33  -4.695   0.658   7.559
  264   3HD1  LEU  33          3HD1      LEU  33  -5.503   2.055   6.842
  265   1HD2  LEU  33          1HD2      LEU  33  -3.559  -0.654   4.236
  266   2HD2  LEU  33          2HD2      LEU  33  -3.763  -1.185   5.906
  267   3HD2  LEU  33          3HD2      LEU  33  -2.705   0.178   5.538
  268    H    LEU  34           H        LEU  34  -4.984  -3.122   3.958
  269    HA   LEU  34           HA       LEU  34  -7.210  -4.806   4.894
  270   1HB   LEU  34          1HB       LEU  34  -4.740  -5.637   3.380
  271   2HB   LEU  34          2HB       LEU  34  -6.151  -6.615   3.709
  272    HG   LEU  34           HG       LEU  34  -6.084  -4.179   1.925
  273   1HD1  LEU  34          1HD1      LEU  34  -4.921  -6.131   0.999
  274   2HD1  LEU  34          2HD1      LEU  34  -6.375  -5.710   0.095
  275   3HD1  LEU  34          3HD1      LEU  34  -6.390  -7.082   1.205
  276   1HD2  LEU  34          1HD2      LEU  34  -8.362  -4.889   1.282
  277   2HD2  LEU  34          2HD2      LEU  34  -8.245  -4.378   2.967
  278   3HD2  LEU  34          3HD2      LEU  34  -8.316  -6.096   2.568
  279    H    ASN  35           H        ASN  35  -3.844  -3.996   5.340
  280    HA   ASN  35           HA       ASN  35  -3.915  -4.994   8.051
  281   1HB   ASN  35          1HB       ASN  35  -3.238  -6.997   6.713
  282   2HB   ASN  35          2HB       ASN  35  -1.845  -6.088   6.134
  283   1HD2  ASN  35          1HD2      ASN  35  -3.230  -7.819   8.761
  284   2HD2  ASN  35          2HD2      ASN  35  -1.851  -7.776   9.806
  285    H    SER  36           H        SER  36  -2.507  -3.906   9.374
  286    HA   SER  36           HA       SER  36  -0.430  -2.256   8.158
  287   1HB   SER  36          1HB       SER  36  -1.263  -0.333   9.673
  288   2HB   SER  36          2HB       SER  36  -2.156  -0.652   8.178
  289    HG   SER  36           HG       SER  36  -3.709  -1.768   9.380
  290    H    THR  37           H        THR  37  -0.289  -4.644   9.738
  291    HA   THR  37           HA       THR  37   0.325  -3.939  12.454
  292    HB   THR  37           HB       THR  37  -0.452  -6.224  11.694
  293    HG1  THR  37           HG1      THR  37   1.990  -6.229  13.171
  294   1HG2  THR  37          1HG2      THR  37   2.427  -6.458  10.823
  295   2HG2  THR  37          2HG2      THR  37   1.007  -6.539   9.781
  296   3HG2  THR  37          3HG2      THR  37   1.300  -7.805  10.972
  297    H    ASN  38           H        ASN  38   1.855  -3.433   9.601
  298    HA   ASN  38           HA       ASN  38   4.564  -3.501  10.740
  299   1HB   ASN  38          1HB       ASN  38   4.054  -4.825   8.658
  300   2HB   ASN  38          2HB       ASN  38   3.707  -3.315   7.846
  301   1HD2  ASN  38          1HD2      ASN  38   5.709  -5.355   7.239
  302   2HD2  ASN  38          2HD2      ASN  38   7.240  -4.554   7.267
  303    H    LYS  39           H        LYS  39   5.862  -1.574  10.506
  304    HA   LYS  39           HA       LYS  39   4.188   0.820  10.310
  305   1HB   LYS  39          1HB       LYS  39   6.016   2.028  11.411
  306   2HB   LYS  39          2HB       LYS  39   5.432   0.681  12.365
  307   1HG   LYS  39          1HG       LYS  39   7.444  -0.276  12.417
  308   2HG   LYS  39          2HG       LYS  39   7.708  -0.027  10.696
  309   1HD   LYS  39          1HD       LYS  39   8.017   2.124  12.779
  310   2HD   LYS  39          2HD       LYS  39   9.347   1.152  12.146
  311   1HE   LYS  39          1HE       LYS  39   8.588   1.951   9.838
  312   2HE   LYS  39          2HE       LYS  39   7.629   3.150  10.705
  313   1HZ   LYS  39          1HZ       LYS  39   9.449   4.318  11.277
  314   2HZ   LYS  39          2HZ       LYS  39  10.132   3.558   9.922
  315   3HZ   LYS  39          3HZ       LYS  39  10.425   2.947  11.477
  316    H    ASP  40           H        ASP  40   6.234  -0.859   8.302
  317    HA   ASP  40           HA       ASP  40   6.834   1.620   6.812
  318   1HB   ASP  40          1HB       ASP  40   8.489  -0.864   7.169
  319   2HB   ASP  40          2HB       ASP  40   8.711   0.181   5.759
  320    H    TRP  41           H        TRP  41   5.379  -1.480   6.699
  321    HA   TRP  41           HA       TRP  41   4.724  -1.067   3.874
  322   1HB   TRP  41          1HB       TRP  41   5.505  -3.680   5.190
  323   2HB   TRP  41          2HB       TRP  41   4.811  -3.553   3.585
  324    HD1  TRP  41           HD1      TRP  41   8.049  -2.972   5.497
  325    HE1  TRP  41           HE1      TRP  41   9.952  -2.584   3.808
  326    HE3  TRP  41           HE3      TRP  41   5.276  -2.624   1.211
  327    HZ2  TRP  41           HZ2      TRP  41  10.231  -2.172   1.027
  328    HZ3  TRP  41           HZ3      TRP  41   6.435  -2.215  -0.910
  329    HH2  TRP  41           HH2      TRP  41   8.863  -1.996  -1.004
  330    H    TRP  42           H        TRP  42   2.603  -0.990   3.540
  331    HA   TRP  42           HA       TRP  42   0.833  -2.293   5.510
  332   1HB   TRP  42          1HB       TRP  42   0.562   0.332   4.053
  333   2HB   TRP  42          2HB       TRP  42  -0.859  -0.519   4.657
  334    HD1  TRP  42           HD1      TRP  42   1.811  -1.138   7.045
  335    HE1  TRP  42           HE1      TRP  42   1.670   0.431   9.069
  336    HE3  TRP  42           HE3      TRP  42  -1.473   2.278   5.185
  337    HZ2  TRP  42           HZ2      TRP  42   0.336   2.814   9.770
  338    HZ3  TRP  42           HZ3      TRP  42  -2.145   4.184   6.598
  339    HH2  TRP  42           HH2      TRP  42  -1.253   4.436   8.846
  340    H    LYS  43           H        LYS  43  -0.766  -3.623   4.736
  341    HA   LYS  43           HA       LYS  43  -0.592  -4.281   1.900
  342   1HB   LYS  43          1HB       LYS  43  -0.601  -6.126   3.568
  343   2HB   LYS  43          2HB       LYS  43  -2.212  -5.626   4.074
  344   1HG   LYS  43          1HG       LYS  43  -3.080  -6.092   1.836
  345   2HG   LYS  43          2HG       LYS  43  -1.468  -6.569   1.306
  346   1HD   LYS  43          1HD       LYS  43  -3.354  -8.299   2.191
  347   2HD   LYS  43          2HD       LYS  43  -1.621  -8.606   2.251
  348   1HE   LYS  43          1HE       LYS  43  -1.637  -7.601   4.558
  349   2HE   LYS  43          2HE       LYS  43  -3.409  -7.624   4.470
  350   1HZ   LYS  43          1HZ       LYS  43  -3.468  -9.911   4.512
  351   2HZ   LYS  43          2HZ       LYS  43  -2.154  -9.596   5.538
  352   3HZ   LYS  43          3HZ       LYS  43  -1.879 -10.084   3.940
  353    H    VAL  44           H        VAL  44  -2.009  -3.641   0.447
  354    HA   VAL  44           HA       VAL  44  -4.658  -2.718   1.304
  355    HB   VAL  44           HB       VAL  44  -4.452  -0.796  -0.299
  356   1HG1  VAL  44          1HG1      VAL  44  -3.233   0.653   1.240
  357   2HG1  VAL  44          2HG1      VAL  44  -2.535  -0.760   2.032
  358   3HG1  VAL  44          3HG1      VAL  44  -4.272  -0.467   2.121
  359   1HG2  VAL  44          1HG2      VAL  44  -1.524  -1.526  -0.203
  360   2HG2  VAL  44          2HG2      VAL  44  -2.180  -0.038  -0.886
  361   3HG2  VAL  44          3HG2      VAL  44  -2.577  -1.592  -1.615
  362    H    GLU  45           H        GLU  45  -6.001  -2.222  -0.751
  363    HA   GLU  45           HA       GLU  45  -5.363  -4.191  -2.846
  364   1HB   GLU  45          1HB       GLU  45  -7.170  -5.021  -1.356
  365   2HB   GLU  45          2HB       GLU  45  -8.109  -3.582  -1.728
  366   1HG   GLU  45          1HG       GLU  45  -7.877  -4.327  -4.183
  367   2HG   GLU  45          2HG       GLU  45  -7.433  -5.891  -3.506
  368    H    VAL  46           H        VAL  46  -5.439  -3.456  -4.874
  369    HA   VAL  46           HA       VAL  46  -6.785  -0.872  -5.387
  370    HB   VAL  46           HB       VAL  46  -4.940  -1.306  -7.449
  371   1HG1  VAL  46          1HG1      VAL  46  -4.647   0.648  -5.202
  372   2HG1  VAL  46          2HG1      VAL  46  -5.798   0.824  -6.527
  373   3HG1  VAL  46          3HG1      VAL  46  -4.068   0.802  -6.861
  374   1HG2  VAL  46          1HG2      VAL  46  -2.785  -1.349  -6.299
  375   2HG2  VAL  46          2HG2      VAL  46  -3.709  -2.835  -6.081
  376   3HG2  VAL  46          3HG2      VAL  46  -3.620  -1.652  -4.776
  377    H    ASN  47           H        ASN  47  -8.464  -1.196  -6.601
  378    HA   ASN  47           HA       ASN  47  -9.901  -1.828  -8.161
  379   1HB   ASN  47          1HB       ASN  47  -9.149  -2.465 -10.337
  380   2HB   ASN  47          2HB       ASN  47  -8.129  -1.202  -9.737
  381   1HD2  ASN  47          1HD2      ASN  47  -5.933  -1.548  -9.748
  382   2HD2  ASN  47          2HD2      ASN  47  -5.201  -3.039 -10.216
  383    H    ASP  48           H        ASP  48  -7.536  -4.354  -7.886
  384    HA   ASP  48           HA       ASP  48  -9.405  -6.240  -6.808
  385   1HB   ASP  48          1HB       ASP  48  -9.882  -6.198  -9.338
  386   2HB   ASP  48          2HB       ASP  48  -8.322  -7.000  -9.515
  387    H    ARG  49           H        ARG  49  -6.296  -5.172  -7.480
  388    HA   ARG  49           HA       ARG  49  -5.040  -7.739  -6.912
  389   1HB   ARG  49          1HB       ARG  49  -3.832  -5.042  -7.550
  390   2HB   ARG  49          2HB       ARG  49  -2.899  -6.494  -7.230
  391   1HG   ARG  49          1HG       ARG  49  -4.812  -6.097  -9.528
  392   2HG   ARG  49          2HG       ARG  49  -3.054  -6.032  -9.617
  393   1HD   ARG  49          1HD       ARG  49  -3.464  -8.186 -10.325
  394   2HD   ARG  49          2HD       ARG  49  -3.189  -8.435  -8.602
  395    HE   ARG  49           HE       ARG  49  -5.940  -8.084  -9.567
  396   1HH1  ARG  49          1HH1      ARG  49  -3.451 -10.229  -8.306
  397   2HH1  ARG  49          2HH1      ARG  49  -4.594 -11.443  -7.806
  398   1HH2  ARG  49          1HH2      ARG  49  -7.422  -9.692  -8.894
  399   2HH2  ARG  49          2HH2      ARG  49  -6.823 -11.137  -8.138
  400    H    GLN  50           H        GLN  50  -4.311  -8.313  -4.999
  401    HA   GLN  50           HA       GLN  50  -4.357  -6.317  -2.848
  402   1HB   GLN  50          1HB       GLN  50  -4.803  -9.287  -2.893
  403   2HB   GLN  50          2HB       GLN  50  -4.331  -8.480  -1.404
  404   1HG   GLN  50          1HG       GLN  50  -6.312  -6.997  -1.666
  405   2HG   GLN  50          2HG       GLN  50  -6.807  -7.986  -3.038
  406   1HE2  GLN  50          1HE2      GLN  50  -5.226  -9.412  -0.294
  407   2HE2  GLN  50          2HE2      GLN  50  -6.628 -10.209   0.346
  408    H    GLY  51           H        GLY  51  -2.580  -5.948  -1.640
  409   1HA   GLY  51          1HA       GLY  51  -0.456  -7.561  -1.237
  410   2HA   GLY  51          2HA       GLY  51   0.001  -6.769  -2.673
  411    H    PHE  52           H        PHE  52   1.759  -6.153  -1.121
  412    HA   PHE  52           HA       PHE  52   1.000  -4.147   0.848
  413   1HB   PHE  52          1HB       PHE  52   3.514  -5.702   0.311
  414   2HB   PHE  52          2HB       PHE  52   3.462  -4.368   1.458
  415    HD1  PHE  52           HD1      PHE  52   2.938  -4.795   3.653
  416    HD2  PHE  52           HD2      PHE  52   1.719  -7.569   0.651
  417    HE1  PHE  52           HE1      PHE  52   2.154  -6.338   5.401
  418    HE2  PHE  52           HE2      PHE  52   0.945  -9.112   2.404
  419    HZ   PHE  52           HZ       PHE  52   1.156  -8.499   4.778
  420    H    VAL  53           H        VAL  53   1.847  -2.153   0.983
  421    HA   VAL  53           HA       VAL  53   3.551  -1.113  -1.157
  422    HB   VAL  53           HB       VAL  53   2.208   0.897  -1.393
  423   1HG1  VAL  53          1HG1      VAL  53   0.469  -1.530  -1.699
  424   2HG1  VAL  53          2HG1      VAL  53   1.686  -0.990  -2.857
  425   3HG1  VAL  53          3HG1      VAL  53   0.266   0.009  -2.537
  426   1HG2  VAL  53          1HG2      VAL  53  -0.101   0.955  -0.357
  427   2HG2  VAL  53          2HG2      VAL  53   1.256   1.200   0.746
  428   3HG2  VAL  53          3HG2      VAL  53   0.440  -0.362   0.688
  429    HA   PRO  54           HA       PRO  54   5.704   0.881   2.156
  430   1HB   PRO  54          1HB       PRO  54   5.518   3.423   0.621
  431   2HB   PRO  54          2HB       PRO  54   6.952   2.592   1.237
  432   1HG   PRO  54          1HG       PRO  54   6.380   2.545  -1.350
  433   2HG   PRO  54          2HG       PRO  54   6.989   1.088  -0.540
  434   1HD   PRO  54          1HD       PRO  54   4.190   1.777  -1.350
  435   2HD   PRO  54          2HD       PRO  54   5.045   0.223  -1.462
  436    H    ALA  55           H        ALA  55   4.836   1.494   4.037
  437    HA   ALA  55           HA       ALA  55   2.274   2.665   4.299
  438   1HB   ALA  55          1HB       ALA  55   2.827   2.898   6.664
  439   2HB   ALA  55          2HB       ALA  55   4.518   2.552   6.306
  440   3HB   ALA  55          3HB       ALA  55   3.290   1.307   6.057
  441    H    ALA  56           H        ALA  56   5.449   3.980   3.904
  442    HA   ALA  56           HA       ALA  56   4.866   6.627   4.830
  443   1HB   ALA  56          1HB       ALA  56   7.048   7.202   4.000
  444   2HB   ALA  56          2HB       ALA  56   7.115   5.733   3.025
  445   3HB   ALA  56          3HB       ALA  56   7.148   5.626   4.786
  446    H    TYR  57           H        TYR  57   3.989   4.893   2.127
  447    HA   TYR  57           HA       TYR  57   3.850   7.270   0.377
  448   1HB   TYR  57          1HB       TYR  57   3.697   4.309  -0.165
  449   2HB   TYR  57          2HB       TYR  57   3.069   5.477  -1.327
  450    HD1  TYR  57           HD1      TYR  57   4.474   5.596  -3.129
  451    HD2  TYR  57           HD2      TYR  57   6.172   5.416   0.766
  452    HE1  TYR  57           HE1      TYR  57   6.712   5.863  -4.102
  453    HE2  TYR  57           HE2      TYR  57   8.412   5.700  -0.187
  454    HH   TYR  57           HH       TYR  57   9.613   5.584  -2.122
  455    H    VAL  58           H        VAL  58   2.073   5.894   2.673
  456    HA   VAL  58           HA       VAL  58  -0.438   6.626   1.370
  457    HB   VAL  58           HB       VAL  58   0.394   4.000   1.992
  458   1HG1  VAL  58          1HG1      VAL  58  -1.822   4.960   3.761
  459   2HG1  VAL  58          2HG1      VAL  58  -0.338   4.116   4.212
  460   3HG1  VAL  58          3HG1      VAL  58  -1.603   3.267   3.320
  461   1HG2  VAL  58          1HG2      VAL  58  -1.745   3.382   0.985
  462   2HG2  VAL  58          2HG2      VAL  58  -0.896   4.619   0.058
  463   3HG2  VAL  58          3HG2      VAL  58  -2.264   5.067   1.078
  464    H    LYS  59           H        LYS  59  -2.056   7.396   2.759
  465    HA   LYS  59           HA       LYS  59  -1.306   7.754   5.577
  466   1HB   LYS  59          1HB       LYS  59  -0.891   9.959   5.175
  467   2HB   LYS  59          2HB       LYS  59  -1.506   9.825   3.535
  468   1HG   LYS  59          1HG       LYS  59  -3.601   9.875   5.573
  469   2HG   LYS  59          2HG       LYS  59  -2.599  11.328   5.528
  470   1HD   LYS  59          1HD       LYS  59  -3.174  11.798   3.309
  471   2HD   LYS  59          2HD       LYS  59  -3.745  10.156   3.012
  472   1HE   LYS  59          1HE       LYS  59  -5.668  11.552   3.163
  473   2HE   LYS  59          2HE       LYS  59  -5.598  10.599   4.642
  474   1HZ   LYS  59          1HZ       LYS  59  -4.619  12.512   5.772
  475   2HZ   LYS  59          2HZ       LYS  59  -6.141  12.887   5.125
  476   3HZ   LYS  59          3HZ       LYS  59  -4.732  13.426   4.347
  477    H    LYS  60           H        LYS  60  -2.972   7.699   7.008
  478    HA   LYS  60           HA       LYS  60  -5.356   6.374   6.318
  479   1HB   LYS  60          1HB       LYS  60  -4.277   7.572   8.775
  480   2HB   LYS  60          2HB       LYS  60  -5.998   7.821   8.624
  481   1HG   LYS  60          1HG       LYS  60  -5.548   5.883   9.965
  482   2HG   LYS  60          2HG       LYS  60  -6.338   5.389   8.472
  483   1HD   LYS  60          1HD       LYS  60  -4.439   4.406   7.656
  484   2HD   LYS  60          2HD       LYS  60  -3.368   5.408   8.613
  485   1HE   LYS  60          1HE       LYS  60  -3.378   3.098   9.435
  486   2HE   LYS  60          2HE       LYS  60  -4.073   4.182  10.625
  487   1HZ   LYS  60          1HZ       LYS  60  -5.242   1.919   9.491
  488   2HZ   LYS  60          2HZ       LYS  60  -6.137   3.267   8.972
  489   3HZ   LYS  60          3HZ       LYS  60  -5.907   2.986  10.627
  490    H    LEU  61           H        LEU  61  -7.289   7.046   5.643
  491    HA   LEU  61           HA       LEU  61  -7.537   9.837   4.881
  492   1HB   LEU  61          1HB       LEU  61  -9.143   7.368   4.348
  493   2HB   LEU  61          2HB       LEU  61  -9.850   8.946   4.055
  494    HG   LEU  61           HG       LEU  61  -7.249   8.071   2.807
  495   1HD1  LEU  61          1HD1      LEU  61  -8.578   7.605   0.793
  496   2HD1  LEU  61          2HD1      LEU  61 -10.053   7.853   1.729
  497   3HD1  LEU  61          3HD1      LEU  61  -8.969   6.520   2.129
  498   1HD2  LEU  61          1HD2      LEU  61  -9.079  10.409   2.546
  499   2HD2  LEU  61          2HD2      LEU  61  -8.235   9.832   1.112
  500   3HD2  LEU  61          3HD2      LEU  61  -7.315  10.346   2.524
  501    H    ASP  62           H        ASP  62  -8.606   7.777   7.385
  502    HA   ASP  62           HA       ASP  62  -9.728   9.974   8.834
  503   1HB   ASP  62          1HB       ASP  62 -11.642   9.347   7.361
  504   2HB   ASP  62          2HB       ASP  62 -11.623   7.737   8.077
  505   1H    ACE   0          1H        ACE   0   4.409 -12.397   4.371
  506   2H    ACE   0          2H        ACE   0   4.143 -12.342   2.630
  507   3H    ACE   0          3H        ACE   0   2.845 -11.835   3.707
  508    H    ALA   1           H        ALA   1   4.315 -10.336   5.531
  509    HA   ALA   1           HA       ALA   1   4.540  -7.877   4.085
  510   1HB   ALA   1          1HB       ALA   1   3.625  -8.015   6.370
  511   2HB   ALA   1          2HB       ALA   1   4.965  -6.874   6.248
  512   3HB   ALA   1          3HB       ALA   1   5.224  -8.465   6.964
  513    HA   PRO   2           HA       PRO   2   8.834  -8.226   2.968
  514   1HB   PRO   2          1HB       PRO   2   8.591  -5.270   2.814
  515   2HB   PRO   2          2HB       PRO   2   9.146  -6.420   1.592
  516   1HG   PRO   2          1HG       PRO   2   6.755  -5.273   1.381
  517   2HG   PRO   2          2HG       PRO   2   6.982  -6.979   0.952
  518   1HD   PRO   2          1HD       PRO   2   5.789  -5.791   3.426
  519   2HD   PRO   2          2HD       PRO   2   5.264  -7.206   2.489
  520    H    SER   3           H        SER   3  10.302  -8.558   4.493
  521    HA   SER   3           HA       SER   3  10.338  -6.926   6.900
  522   1HB   SER   3          1HB       SER   3  12.162  -9.242   6.278
  523   2HB   SER   3          2HB       SER   3  11.655  -8.640   7.858
  524    HG   SER   3           HG       SER   3   9.507  -9.305   6.367
  525    H    TYR   4           H        TYR   4  11.155  -5.524   4.585
  526    HA   TYR   4           HA       TYR   4  13.879  -4.877   5.387
  527   1HB   TYR   4          1HB       TYR   4  14.517  -4.558   2.969
  528   2HB   TYR   4          2HB       TYR   4  14.313  -6.229   3.471
  529    HD1  TYR   4           HD1      TYR   4  12.922  -3.507   1.438
  530    HD2  TYR   4           HD2      TYR   4  12.535  -7.593   2.558
  531    HE1  TYR   4           HE1      TYR   4  11.397  -3.874  -0.452
  532    HE2  TYR   4           HE2      TYR   4  11.005  -7.971   0.671
  533    HH   TYR   4           HH       TYR   4   9.358  -6.314  -0.754
  534    H    SER   5           H        SER   5  14.543  -2.724   4.357
  535    HA   SER   5           HA       SER   5  12.553  -0.819   5.053
  536   1HB   SER   5          1HB       SER   5  15.070  -0.183   3.548
  537   2HB   SER   5          2HB       SER   5  14.227   0.796   4.749
  538    HG   SER   5           HG       SER   5  14.778  -1.285   6.091
  539    HA   PRO   6           HA       PRO   6  10.686  -0.235   1.071
  540   1HB   PRO   6          1HB       PRO   6   9.201   1.927   1.635
  541   2HB   PRO   6          2HB       PRO   6   8.841   0.348   2.348
  542   1HG   PRO   6          1HG       PRO   6  10.256   2.693   3.547
  543   2HG   PRO   6          2HG       PRO   6   9.059   1.612   4.282
  544   1HD   PRO   6          1HD       PRO   6  11.775   1.395   4.655
  545   2HD   PRO   6          2HD       PRO   6  10.633   0.049   4.827
  546    HA   PRO   7           HA       PRO   7  13.002   2.784  -1.197
  547   1HB   PRO   7          1HB       PRO   7  11.146   3.738  -2.963
  548   2HB   PRO   7          2HB       PRO   7  11.926   2.161  -3.125
  549   1HG   PRO   7          1HG       PRO   7   9.232   2.839  -2.011
  550   2HG   PRO   7          2HG       PRO   7   9.698   1.505  -3.083
  551   1HD   PRO   7          1HD       PRO   7   9.326   1.146  -0.439
  552   2HD   PRO   7          2HD       PRO   7  10.555   0.241  -1.346
  553    HA   PRO   8           HA       PRO   8  12.359   6.573   1.071
  554   1HB   PRO   8          1HB       PRO   8  13.964   8.115  -0.610
  555   2HB   PRO   8          2HB       PRO   8  14.524   7.200   0.794
  556   1HG   PRO   8          1HG       PRO   8  14.592   6.470  -2.100
  557   2HG   PRO   8          2HG       PRO   8  15.789   6.151  -0.831
  558   1HD   PRO   8          1HD       PRO   8  14.156   4.225  -1.707
  559   2HD   PRO   8          2HD       PRO   8  14.604   4.340   0.008
  560    HA   PRO   9           HA       PRO   9   9.012   8.172  -1.461
  561   1HB   PRO   9          1HB       PRO   9   8.716  10.076   0.770
  562   2HB   PRO   9          2HB       PRO   9   7.555   8.911   0.127
  563   1HG   PRO   9          1HG       PRO   9   8.742   8.553   2.507
  564   2HG   PRO   9          2HG       PRO   9   8.351   7.190   1.441
  565   1HD   PRO   9          1HD       PRO   9  10.984   8.537   1.913
  566   2HD   PRO   9          2HD       PRO   9  10.619   6.808   1.722
  567    HA   PRO  10           HA       PRO  10  11.094  11.601  -3.360
  568   1HB   PRO  10          1HB       PRO  10   8.468  12.244  -4.526
  569   2HB   PRO  10          2HB       PRO  10   9.975  11.804  -5.333
  570   1HG   PRO  10          1HG       PRO  10   7.891  10.115  -5.232
  571   2HG   PRO  10          2HG       PRO  10   9.566   9.537  -5.153
  572   1HD   PRO  10          1HD       PRO  10   7.584   9.913  -2.941
  573   2HD   PRO  10          2HD       PRO  10   8.738   8.589  -3.203
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1 -20.568  -6.765  -0.292
    2   2H    MET   1          2H        MET   1 -21.618  -7.801  -1.129
    3   3H    MET   1          3H        MET   1 -21.260  -6.267  -1.762
    4    HA   MET   1           HA       MET   1 -19.249  -8.397  -1.346
    5   1HB   MET   1          1HB       MET   1 -20.969  -7.710  -3.709
    6   2HB   MET   1          2HB       MET   1 -19.354  -8.355  -3.961
    7   1HG   MET   1          1HG       MET   1 -21.501  -9.696  -2.340
    8   2HG   MET   1          2HG       MET   1 -21.125 -10.067  -4.021
    9   1HE   MET   1          1HE       MET   1 -20.912 -12.676  -3.045
   10   2HE   MET   1          2HE       MET   1 -21.190 -12.039  -1.424
   11   3HE   MET   1          3HE       MET   1 -19.801 -13.080  -1.735
   12    H    ASP   2           H        ASP   2 -19.281  -5.455  -0.733
   13    HA   ASP   2           HA       ASP   2 -17.493  -4.390  -2.780
   14   1HB   ASP   2          1HB       ASP   2 -17.916  -2.786  -0.340
   15   2HB   ASP   2          2HB       ASP   2 -17.985  -2.302  -2.027
   16    H    GLU   3           H        GLU   3 -15.356  -4.896  -2.587
   17    HA   GLU   3           HA       GLU   3 -14.399  -5.567   0.129
   18   1HB   GLU   3          1HB       GLU   3 -12.925  -5.936  -2.545
   19   2HB   GLU   3          2HB       GLU   3 -12.055  -5.951  -1.025
   20   1HG   GLU   3          1HG       GLU   3 -14.152  -7.884  -1.971
   21   2HG   GLU   3          2HG       GLU   3 -12.483  -8.179  -1.493
   22    H    THR   4           H        THR   4 -14.947  -2.700  -1.024
   23    HA   THR   4           HA       THR   4 -12.437  -1.557  -0.044
   24    HB   THR   4           HB       THR   4 -13.120  -1.049  -2.485
   25    HG1  THR   4           HG1      THR   4 -11.687   0.217  -0.845
   26   1HG2  THR   4          1HG2      THR   4 -14.520   1.225  -2.354
   27   2HG2  THR   4          2HG2      THR   4 -15.270   0.377  -1.002
   28   3HG2  THR   4          3HG2      THR   4 -15.290  -0.337  -2.617
   29    H    GLY   5           H        GLY   5 -14.850  -2.470   1.402
   30   1HA   GLY   5          1HA       GLY   5 -15.827   0.063   2.539
   31   2HA   GLY   5          2HA       GLY   5 -16.603  -1.508   2.725
   32    H    LYS   6           H        LYS   6 -13.307  -0.317   3.244
   33    HA   LYS   6           HA       LYS   6 -13.454  -1.071   6.043
   34   1HB   LYS   6          1HB       LYS   6 -11.106  -1.862   4.271
   35   2HB   LYS   6          2HB       LYS   6 -11.347  -2.214   5.946
   36   1HG   LYS   6          1HG       LYS   6 -12.957  -3.879   5.514
   37   2HG   LYS   6          2HG       LYS   6 -13.163  -3.350   3.848
   38   1HD   LYS   6          1HD       LYS   6 -10.794  -3.987   3.423
   39   2HD   LYS   6          2HD       LYS   6 -10.728  -4.645   5.058
   40   1HE   LYS   6          1HE       LYS   6 -11.149  -6.469   3.607
   41   2HE   LYS   6          2HE       LYS   6 -12.668  -6.116   4.429
   42   1HZ   LYS   6          1HZ       LYS   6 -13.525  -5.077   2.505
   43   2HZ   LYS   6          2HZ       LYS   6 -12.830  -6.535   1.977
   44   3HZ   LYS   6          3HZ       LYS   6 -12.012  -5.070   1.734
   45    H    GLU   7           H        GLU   7 -10.742  -0.563   6.569
   46    HA   GLU   7           HA       GLU   7 -10.705   2.231   6.796
   47   1HB   GLU   7          1HB       GLU   7  -8.992   0.014   7.472
   48   2HB   GLU   7          2HB       GLU   7  -8.025   1.322   6.814
   49   1HG   GLU   7          1HG       GLU   7  -8.621   2.784   8.524
   50   2HG   GLU   7          2HG       GLU   7 -10.013   1.807   8.997
   51    H    LEU   8           H        LEU   8 -10.349   3.730   5.277
   52    HA   LEU   8           HA       LEU   8  -9.055   2.844   2.807
   53   1HB   LEU   8          1HB       LEU   8 -10.829   5.189   3.408
   54   2HB   LEU   8          2HB       LEU   8  -9.955   5.024   1.896
   55    HG   LEU   8           HG       LEU   8 -11.954   3.045   2.953
   56   1HD1  LEU   8          1HD1      LEU   8 -13.415   3.824   1.144
   57   2HD1  LEU   8          2HD1      LEU   8 -12.241   5.077   0.744
   58   3HD1  LEU   8          3HD1      LEU   8 -13.067   5.107   2.302
   59   1HD2  LEU   8          1HD2      LEU   8 -10.406   1.877   1.614
   60   2HD2  LEU   8          2HD2      LEU   8 -10.388   3.156   0.396
   61   3HD2  LEU   8          3HD2      LEU   8 -11.827   2.158   0.607
   62    H    VAL   9           H        VAL   9  -7.483   3.968   1.812
   63    HA   VAL   9           HA       VAL   9  -6.085   6.025   3.375
   64    HB   VAL   9           HB       VAL   9  -3.910   4.935   2.472
   65   1HG1  VAL   9          1HG1      VAL   9  -4.352   5.164   4.800
   66   2HG1  VAL   9          2HG1      VAL   9  -3.736   3.538   4.496
   67   3HG1  VAL   9          3HG1      VAL   9  -5.462   3.792   4.771
   68   1HG2  VAL   9          1HG2      VAL   9  -4.987   3.253   1.091
   69   2HG2  VAL   9          2HG2      VAL   9  -5.733   2.543   2.522
   70   3HG2  VAL   9          3HG2      VAL   9  -3.980   2.507   2.331
   71    H    LEU  10           H        LEU  10  -4.586   7.256   2.149
   72    HA   LEU  10           HA       LEU  10  -5.369   7.469  -0.684
   73   1HB   LEU  10          1HB       LEU  10  -6.010   9.423   0.594
   74   2HB   LEU  10          2HB       LEU  10  -4.394   9.566   1.259
   75    HG   LEU  10           HG       LEU  10  -3.741   9.795  -1.299
   76   1HD1  LEU  10          1HD1      LEU  10  -5.534  11.230  -2.381
   77   2HD1  LEU  10          2HD1      LEU  10  -6.637  10.564  -1.179
   78   3HD1  LEU  10          3HD1      LEU  10  -5.828   9.492  -2.323
   79   1HD2  LEU  10          1HD2      LEU  10  -4.902  11.986   0.410
   80   2HD2  LEU  10          2HD2      LEU  10  -3.917  12.243  -1.032
   81   3HD2  LEU  10          3HD2      LEU  10  -3.225  11.437   0.380
   82    H    ALA  11           H        ALA  11  -3.793   7.380  -2.217
   83    HA   ALA  11           HA       ALA  11  -1.141   6.645  -1.326
   84   1HB   ALA  11          1HB       ALA  11  -2.065   7.002  -4.175
   85   2HB   ALA  11          2HB       ALA  11  -2.345   5.530  -3.242
   86   3HB   ALA  11          3HB       ALA  11  -0.696   6.057  -3.588
   87    H    LEU  12           H        LEU  12   0.274   8.182  -0.825
   88    HA   LEU  12           HA       LEU  12   0.042  10.877  -1.703
   89   1HB   LEU  12          1HB       LEU  12   2.048   9.351  -0.072
   90   2HB   LEU  12          2HB       LEU  12   2.351  11.018  -0.557
   91    HG   LEU  12           HG       LEU  12   0.170  11.629   0.533
   92   1HD1  LEU  12          1HD1      LEU  12  -0.911   9.520   0.608
   93   2HD1  LEU  12          2HD1      LEU  12  -0.665  10.085   2.262
   94   3HD1  LEU  12          3HD1      LEU  12   0.383   8.833   1.592
   95   1HD2  LEU  12          1HD2      LEU  12   2.280  12.122   1.624
   96   2HD2  LEU  12          2HD2      LEU  12   2.368  10.474   2.250
   97   3HD2  LEU  12          3HD2      LEU  12   1.114  11.571   2.830
   98    H    TYR  13           H        TYR  13   2.130   8.172  -2.609
   99    HA   TYR  13           HA       TYR  13   3.155   9.833  -4.803
  100   1HB   TYR  13          1HB       TYR  13   5.024   7.884  -3.518
  101   2HB   TYR  13          2HB       TYR  13   5.387   9.354  -4.411
  102    HD1  TYR  13           HD1      TYR  13   5.108  11.571  -3.274
  103    HD2  TYR  13           HD2      TYR  13   4.819   7.892  -1.163
  104    HE1  TYR  13           HE1      TYR  13   5.448  12.768  -1.152
  105    HE2  TYR  13           HE2      TYR  13   5.160   9.074   0.961
  106    HH   TYR  13           HH       TYR  13   6.200  11.209   1.739
  107    H    ASP  14           H        ASP  14   4.285   8.463  -6.453
  108    HA   ASP  14           HA       ASP  14   2.599   6.265  -7.183
  109   1HB   ASP  14          1HB       ASP  14   3.439   7.908  -8.852
  110   2HB   ASP  14          2HB       ASP  14   5.082   7.365  -8.538
  111    H    TYR  15           H        TYR  15   3.110   4.177  -7.086
  112    HA   TYR  15           HA       TYR  15   5.808   3.419  -6.231
  113   1HB   TYR  15          1HB       TYR  15   4.527   3.482  -4.175
  114   2HB   TYR  15          2HB       TYR  15   3.253   2.500  -4.892
  115    HD1  TYR  15           HD1      TYR  15   3.254   0.233  -4.417
  116    HD2  TYR  15           HD2      TYR  15   6.936   2.359  -4.276
  117    HE1  TYR  15           HE1      TYR  15   4.401  -1.808  -3.666
  118    HE2  TYR  15           HE2      TYR  15   8.087   0.331  -3.532
  119    HH   TYR  15           HH       TYR  15   6.658  -2.754  -3.621
  120    H    GLN  16           H        GLN  16   6.539   1.499  -6.982
  121    HA   GLN  16           HA       GLN  16   4.780   0.001  -8.822
  122   1HB   GLN  16          1HB       GLN  16   7.392   1.213  -9.174
  123   2HB   GLN  16          2HB       GLN  16   7.523  -0.518  -9.364
  124   1HG   GLN  16          1HG       GLN  16   5.856   1.399 -10.985
  125   2HG   GLN  16          2HG       GLN  16   7.222   0.422 -11.507
  126   1HE2  GLN  16          1HE2      GLN  16   6.579  -2.022 -10.404
  127   2HE2  GLN  16          2HE2      GLN  16   5.152  -2.633 -11.173
  128    H    GLU  17           H        GLU  17   4.483  -2.104  -8.336
  129    HA   GLU  17           HA       GLU  17   5.410  -3.192  -5.908
  130   1HB   GLU  17          1HB       GLU  17   4.505  -5.358  -6.812
  131   2HB   GLU  17          2HB       GLU  17   3.366  -4.021  -6.784
  132   1HG   GLU  17          1HG       GLU  17   3.858  -3.652  -9.199
  133   2HG   GLU  17          2HG       GLU  17   4.824  -5.127  -9.168
  134    H    LYS  18           H        LYS  18   7.076  -4.523  -5.373
  135    HA   LYS  18           HA       LYS  18   9.016  -5.063  -7.537
  136   1HB   LYS  18          1HB       LYS  18   9.582  -4.843  -4.582
  137   2HB   LYS  18          2HB       LYS  18  10.768  -4.983  -5.873
  138   1HG   LYS  18          1HG       LYS  18  10.243  -2.775  -6.687
  139   2HG   LYS  18          2HG       LYS  18   8.854  -2.666  -5.606
  140   1HD   LYS  18          1HD       LYS  18  11.641  -3.026  -4.545
  141   2HD   LYS  18          2HD       LYS  18  10.999  -1.432  -4.939
  142   1HE   LYS  18          1HE       LYS  18  10.586  -1.710  -2.633
  143   2HE   LYS  18          2HE       LYS  18   9.034  -2.017  -3.415
  144   1HZ   LYS  18          1HZ       LYS  18  10.883  -4.228  -2.766
  145   2HZ   LYS  18          2HZ       LYS  18   9.206  -4.287  -3.042
  146   3HZ   LYS  18          3HZ       LYS  18   9.809  -3.615  -1.612
  147    H    SER  19           H        SER  19   7.366  -6.496  -4.756
  148    HA   SER  19           HA       SER  19   8.506  -9.097  -5.524
  149   1HB   SER  19          1HB       SER  19   8.167  -9.841  -3.262
  150   2HB   SER  19          2HB       SER  19   8.957  -8.261  -3.171
  151    HG   SER  19           HG       SER  19   7.217  -7.423  -2.285
  152    HA   PRO  20           HA       PRO  20   4.528 -10.677  -6.670
  153   1HB   PRO  20          1HB       PRO  20   4.937 -12.973  -4.835
  154   2HB   PRO  20          2HB       PRO  20   4.676 -12.968  -6.584
  155   1HG   PRO  20          1HG       PRO  20   7.075 -13.506  -5.620
  156   2HG   PRO  20          2HG       PRO  20   6.913 -12.431  -7.027
  157   1HD   PRO  20          1HD       PRO  20   7.287 -11.707  -4.137
  158   2HD   PRO  20          2HD       PRO  20   8.174 -11.101  -5.555
  159    H    ALA  21           H        ALA  21   5.158  -9.776  -3.510
  160    HA   ALA  21           HA       ALA  21   2.351 -10.170  -2.722
  161   1HB   ALA  21          1HB       ALA  21   3.788 -11.383  -1.221
  162   2HB   ALA  21          2HB       ALA  21   3.159  -9.966  -0.376
  163   3HB   ALA  21          3HB       ALA  21   4.811  -9.965  -0.992
  164    H    GLU  22           H        GLU  22   3.771  -8.060  -4.295
  165    HA   GLU  22           HA       GLU  22   3.055  -5.740  -2.621
  166   1HB   GLU  22          1HB       GLU  22   5.448  -6.243  -4.286
  167   2HB   GLU  22          2HB       GLU  22   4.702  -4.670  -4.523
  168   1HG   GLU  22          1HG       GLU  22   5.357  -3.914  -2.520
  169   2HG   GLU  22          2HG       GLU  22   5.101  -5.465  -1.717
  170    H    VAL  23           H        VAL  23   2.128  -3.919  -3.780
  171    HA   VAL  23           HA       VAL  23   1.081  -4.630  -6.428
  172    HB   VAL  23           HB       VAL  23  -1.085  -3.426  -5.726
  173   1HG1  VAL  23          1HG1      VAL  23  -2.051  -5.518  -4.851
  174   2HG1  VAL  23          2HG1      VAL  23  -0.418  -6.171  -4.712
  175   3HG1  VAL  23          3HG1      VAL  23  -1.066  -5.739  -6.297
  176   1HG2  VAL  23          1HG2      VAL  23   0.274  -3.677  -3.135
  177   2HG2  VAL  23          2HG2      VAL  23  -1.416  -4.170  -3.158
  178   3HG2  VAL  23          3HG2      VAL  23  -0.967  -2.546  -3.669
  179    H    THR  24           H        THR  24   0.825  -3.007  -7.859
  180    HA   THR  24           HA       THR  24   2.356  -0.622  -7.356
  181    HB   THR  24           HB       THR  24   0.864  -1.597  -9.788
  182    HG1  THR  24           HG1      THR  24   2.735  -2.426 -10.361
  183   1HG2  THR  24          1HG2      THR  24   0.922   0.834  -9.851
  184   2HG2  THR  24          2HG2      THR  24   2.033   0.160 -11.043
  185   3HG2  THR  24          3HG2      THR  24   2.656   0.814  -9.529
  186    H    MET  25           H        MET  25   1.658   1.424  -7.062
  187    HA   MET  25           HA       MET  25  -1.208   2.005  -7.299
  188   1HB   MET  25          1HB       MET  25  -1.274   3.122  -5.159
  189   2HB   MET  25          2HB       MET  25  -0.700   1.469  -4.916
  190   1HG   MET  25          1HG       MET  25   1.489   2.165  -4.511
  191   2HG   MET  25          2HG       MET  25   1.212   3.752  -5.233
  192   1HE   MET  25          1HE       MET  25  -1.510   2.264  -2.960
  193   2HE   MET  25          2HE       MET  25  -0.995   2.709  -1.334
  194   3HE   MET  25          3HE       MET  25  -0.118   1.467  -2.227
  195    H    LYS  26           H        LYS  26  -1.626   4.374  -7.223
  196    HA   LYS  26           HA       LYS  26   0.666   5.964  -8.155
  197   1HB   LYS  26          1HB       LYS  26  -1.912   5.497  -9.612
  198   2HB   LYS  26          2HB       LYS  26  -1.229   7.112  -9.655
  199   1HG   LYS  26          1HG       LYS  26  -0.425   6.072 -11.575
  200   2HG   LYS  26          2HG       LYS  26   0.923   6.015 -10.440
  201   1HD   LYS  26          1HD       LYS  26   0.494   3.713  -9.942
  202   2HD   LYS  26          2HD       LYS  26  -1.012   3.746 -10.862
  203   1HE   LYS  26          1HE       LYS  26   0.695   2.658 -12.175
  204   2HE   LYS  26          2HE       LYS  26   0.293   4.207 -12.912
  205   1HZ   LYS  26          1HZ       LYS  26   2.773   3.332 -11.668
  206   2HZ   LYS  26          2HZ       LYS  26   2.318   4.935 -11.351
  207   3HZ   LYS  26          3HZ       LYS  26   2.523   4.412 -12.950
  208    H    LYS  27           H        LYS  27   0.510   8.202  -7.721
  209    HA   LYS  27           HA       LYS  27  -0.757   8.858  -5.296
  210   1HB   LYS  27          1HB       LYS  27   1.003  10.290  -5.598
  211   2HB   LYS  27          2HB       LYS  27   0.815  10.331  -7.342
  212   1HG   LYS  27          1HG       LYS  27   0.362  12.503  -6.681
  213   2HG   LYS  27          2HG       LYS  27  -1.238  11.798  -6.900
  214   1HD   LYS  27          1HD       LYS  27  -1.495  11.515  -4.527
  215   2HD   LYS  27          2HD       LYS  27   0.177  12.008  -4.245
  216   1HE   LYS  27          1HE       LYS  27  -0.380  14.223  -5.227
  217   2HE   LYS  27          2HE       LYS  27  -2.065  13.715  -5.321
  218   1HZ   LYS  27          1HZ       LYS  27  -1.587  15.052  -3.339
  219   2HZ   LYS  27          2HZ       LYS  27  -0.475  13.880  -2.812
  220   3HZ   LYS  27          3HZ       LYS  27  -2.120  13.494  -2.934
  221    H    GLY  28           H        GLY  28  -2.739   9.575  -4.836
  222   1HA   GLY  28          1HA       GLY  28  -4.702  10.921  -5.343
  223   2HA   GLY  28          2HA       GLY  28  -4.390  10.627  -7.055
  224    H    ASP  29           H        ASP  29  -3.825   7.756  -5.690
  225    HA   ASP  29           HA       ASP  29  -6.458   6.755  -6.405
  226   1HB   ASP  29          1HB       ASP  29  -3.874   5.772  -6.780
  227   2HB   ASP  29          2HB       ASP  29  -4.548   4.751  -5.507
  228    H    ILE  30           H        ILE  30  -7.722   5.508  -5.036
  229    HA   ILE  30           HA       ILE  30  -7.165   5.925  -2.188
  230    HB   ILE  30           HB       ILE  30  -9.732   5.528  -3.720
  231   1HG1  ILE  30          1HG1      ILE  30 -10.462   7.506  -2.468
  232   2HG1  ILE  30          2HG1      ILE  30  -8.951   7.528  -1.570
  233   1HG2  ILE  30          1HG2      ILE  30  -9.938   3.930  -1.954
  234   2HG2  ILE  30          2HG2      ILE  30 -10.911   5.337  -1.528
  235   3HG2  ILE  30          3HG2      ILE  30  -9.342   5.089  -0.764
  236   1HD1  ILE  30          1HD1      ILE  30  -9.327   8.053  -4.511
  237   2HD1  ILE  30          2HD1      ILE  30  -7.759   7.947  -3.709
  238   3HD1  ILE  30          3HD1      ILE  30  -8.897   9.219  -3.259
  239    H    LEU  31           H        LEU  31  -6.372   4.281  -1.135
  240    HA   LEU  31           HA       LEU  31  -6.706   1.580  -2.238
  241   1HB   LEU  31          1HB       LEU  31  -4.623   2.908  -0.570
  242   2HB   LEU  31          2HB       LEU  31  -4.843   1.183  -0.414
  243    HG   LEU  31           HG       LEU  31  -3.007   1.869  -1.951
  244   1HD1  LEU  31          1HD1      LEU  31  -3.987  -0.332  -2.103
  245   2HD1  LEU  31          2HD1      LEU  31  -3.560   0.269  -3.705
  246   3HD1  LEU  31          3HD1      LEU  31  -5.242   0.282  -3.181
  247   1HD2  LEU  31          1HD2      LEU  31  -5.253   2.792  -3.731
  248   2HD2  LEU  31          2HD2      LEU  31  -3.548   2.681  -4.175
  249   3HD2  LEU  31          3HD2      LEU  31  -4.066   3.830  -2.942
  250    H    THR  32           H        THR  32  -7.265  -0.137  -0.869
  251    HA   THR  32           HA       THR  32  -8.703   0.664   1.557
  252    HB   THR  32           HB       THR  32  -8.876  -1.995   0.136
  253    HG1  THR  32           HG1      THR  32 -10.063  -1.014  -1.304
  254   1HG2  THR  32          1HG2      THR  32  -9.661  -2.132   2.384
  255   2HG2  THR  32          2HG2      THR  32 -11.082  -2.062   1.339
  256   3HG2  THR  32          3HG2      THR  32 -10.563  -0.624   2.221
  257    H    LEU  33           H        LEU  33  -7.880   0.160   3.483
  258    HA   LEU  33           HA       LEU  33  -5.384  -1.248   3.645
  259   1HB   LEU  33          1HB       LEU  33  -7.035   0.385   5.428
  260   2HB   LEU  33          2HB       LEU  33  -6.200  -0.927   6.239
  261    HG   LEU  33           HG       LEU  33  -4.924   1.250   4.595
  262   1HD1  LEU  33          1HD1      LEU  33  -3.967   1.934   6.741
  263   2HD1  LEU  33          2HD1      LEU  33  -4.915   0.690   7.553
  264   3HD1  LEU  33          3HD1      LEU  33  -5.728   2.026   6.740
  265   1HD2  LEU  33          1HD2      LEU  33  -3.707  -1.083   6.066
  266   2HD2  LEU  33          2HD2      LEU  33  -2.798   0.296   5.448
  267   3HD2  LEU  33          3HD2      LEU  33  -3.648  -0.771   4.331
  268    H    LEU  34           H        LEU  34  -4.998  -3.239   4.218
  269    HA   LEU  34           HA       LEU  34  -7.259  -4.940   5.042
  270   1HB   LEU  34          1HB       LEU  34  -4.728  -5.893   3.716
  271   2HB   LEU  34          2HB       LEU  34  -6.248  -6.743   3.881
  272    HG   LEU  34           HG       LEU  34  -5.775  -4.339   2.123
  273   1HD1  LEU  34          1HD1      LEU  34  -5.565  -5.737   0.331
  274   2HD1  LEU  34          2HD1      LEU  34  -6.462  -7.044   1.104
  275   3HD1  LEU  34          3HD1      LEU  34  -4.799  -6.716   1.586
  276   1HD2  LEU  34          1HD2      LEU  34  -8.021  -5.003   1.190
  277   2HD2  LEU  34          2HD2      LEU  34  -8.051  -4.291   2.803
  278   3HD2  LEU  34          3HD2      LEU  34  -8.216  -6.038   2.606
  279    H    ASN  35           H        ASN  35  -3.825  -4.263   5.455
  280    HA   ASN  35           HA       ASN  35  -3.957  -5.075   8.235
  281   1HB   ASN  35          1HB       ASN  35  -3.376  -7.159   6.980
  282   2HB   ASN  35          2HB       ASN  35  -1.940  -6.347   6.366
  283   1HD2  ASN  35          1HD2      ASN  35  -2.317  -8.742   8.080
  284   2HD2  ASN  35          2HD2      ASN  35  -1.380  -8.432   9.508
  285    H    SER  36           H        SER  36  -2.852  -3.616   9.388
  286    HA   SER  36           HA       SER  36  -0.650  -2.178   8.076
  287   1HB   SER  36          1HB       SER  36  -1.491  -0.149   9.429
  288   2HB   SER  36          2HB       SER  36  -2.405  -0.606   7.983
  289    HG   SER  36           HG       SER  36  -4.061  -1.135   9.184
  290    H    THR  37           H        THR  37  -0.657  -4.441   9.924
  291    HA   THR  37           HA       THR  37   0.049  -3.460  12.511
  292    HB   THR  37           HB       THR  37  -0.841  -5.787  11.886
  293    HG1  THR  37           HG1      THR  37  -0.415  -5.589  13.980
  294   1HG2  THR  37          1HG2      THR  37   0.860  -6.404  10.252
  295   2HG2  THR  37          2HG2      THR  37   0.891  -7.515  11.621
  296   3HG2  THR  37          3HG2      THR  37   2.116  -6.254  11.483
  297    H    ASN  38           H        ASN  38   1.625  -3.406   9.603
  298    HA   ASN  38           HA       ASN  38   4.318  -3.529  10.768
  299   1HB   ASN  38          1HB       ASN  38   3.721  -4.875   8.702
  300   2HB   ASN  38          2HB       ASN  38   3.531  -3.354   7.850
  301   1HD2  ASN  38          1HD2      ASN  38   5.467  -5.690   7.594
  302   2HD2  ASN  38          2HD2      ASN  38   7.022  -4.939   7.578
  303    H    LYS  39           H        LYS  39   5.723  -1.682  10.505
  304    HA   LYS  39           HA       LYS  39   4.287   0.809  10.433
  305   1HB   LYS  39          1HB       LYS  39   7.002  -0.173  11.249
  306   2HB   LYS  39          2HB       LYS  39   6.693   1.520  11.088
  307   1HG   LYS  39          1HG       LYS  39   5.095   1.490  12.873
  308   2HG   LYS  39          2HG       LYS  39   5.119  -0.279  12.897
  309   1HD   LYS  39          1HD       LYS  39   6.440   0.487  14.722
  310   2HD   LYS  39          2HD       LYS  39   7.543  -0.141  13.498
  311   1HE   LYS  39          1HE       LYS  39   7.819   2.221  12.684
  312   2HE   LYS  39          2HE       LYS  39   6.924   2.740  14.112
  313   1HZ   LYS  39          1HZ       LYS  39   8.624   1.575  15.465
  314   2HZ   LYS  39          2HZ       LYS  39   9.236   2.889  14.584
  315   3HZ   LYS  39          3HZ       LYS  39   9.516   1.300  14.047
  316    H    ASP  40           H        ASP  40   6.459  -0.993   8.395
  317    HA   ASP  40           HA       ASP  40   6.937   1.430   6.792
  318   1HB   ASP  40          1HB       ASP  40   8.460  -1.146   7.045
  319   2HB   ASP  40          2HB       ASP  40   8.669  -0.095   5.638
  320    H    TRP  41           H        TRP  41   5.391  -1.650   6.713
  321    HA   TRP  41           HA       TRP  41   4.659  -1.136   3.913
  322   1HB   TRP  41          1HB       TRP  41   5.361  -3.813   5.138
  323   2HB   TRP  41          2HB       TRP  41   4.659  -3.603   3.546
  324    HD1  TRP  41           HD1      TRP  41   7.930  -3.255   5.438
  325    HE1  TRP  41           HE1      TRP  41   9.841  -2.888   3.752
  326    HE3  TRP  41           HE3      TRP  41   5.159  -2.580   1.191
  327    HZ2  TRP  41           HZ2      TRP  41  10.129  -2.372   1.000
  328    HZ3  TRP  41           HZ3      TRP  41   6.331  -2.154  -0.922
  329    HH2  TRP  41           HH2      TRP  41   8.767  -2.052  -1.015
  330    H    TRP  42           H        TRP  42   2.536  -1.128   3.524
  331    HA   TRP  42           HA       TRP  42   0.777  -2.295   5.580
  332   1HB   TRP  42          1HB       TRP  42   0.541   0.280   4.038
  333   2HB   TRP  42          2HB       TRP  42  -0.909  -0.536   4.630
  334    HD1  TRP  42           HD1      TRP  42   1.735  -1.134   7.070
  335    HE1  TRP  42           HE1      TRP  42   1.565   0.462   9.066
  336    HE3  TRP  42           HE3      TRP  42  -1.538   2.260   5.122
  337    HZ2  TRP  42           HZ2      TRP  42   0.221   2.852   9.722
  338    HZ3  TRP  42           HZ3      TRP  42  -2.223   4.186   6.506
  339    HH2  TRP  42           HH2      TRP  42  -1.351   4.464   8.759
  340    H    LYS  43           H        LYS  43  -0.656  -3.751   4.932
  341    HA   LYS  43           HA       LYS  43  -0.625  -4.624   2.177
  342   1HB   LYS  43          1HB       LYS  43  -0.698  -6.182   4.174
  343   2HB   LYS  43          2HB       LYS  43  -2.344  -5.634   4.451
  344   1HG   LYS  43          1HG       LYS  43  -2.960  -6.447   2.189
  345   2HG   LYS  43          2HG       LYS  43  -1.334  -7.124   2.024
  346   1HD   LYS  43          1HD       LYS  43  -1.812  -8.369   4.190
  347   2HD   LYS  43          2HD       LYS  43  -3.493  -7.882   3.986
  348   1HE   LYS  43          1HE       LYS  43  -1.839  -9.644   2.189
  349   2HE   LYS  43          2HE       LYS  43  -3.290 -10.066   3.099
  350   1HZ   LYS  43          1HZ       LYS  43  -3.704  -9.752   0.720
  351   2HZ   LYS  43          2HZ       LYS  43  -3.228  -8.134   0.854
  352   3HZ   LYS  43          3HZ       LYS  43  -4.604  -8.683   1.682
  353    H    VAL  44           H        VAL  44  -1.944  -3.796   0.688
  354    HA   VAL  44           HA       VAL  44  -4.591  -2.851   1.539
  355    HB   VAL  44           HB       VAL  44  -4.351  -0.957  -0.117
  356   1HG1  VAL  44          1HG1      VAL  44  -2.536  -0.963   2.291
  357   2HG1  VAL  44          2HG1      VAL  44  -4.245  -0.529   2.258
  358   3HG1  VAL  44          3HG1      VAL  44  -3.064   0.479   1.422
  359   1HG2  VAL  44          1HG2      VAL  44  -2.100  -0.239  -0.721
  360   2HG2  VAL  44          2HG2      VAL  44  -2.441  -1.847  -1.359
  361   3HG2  VAL  44          3HG2      VAL  44  -1.424  -1.665   0.069
  362    H    GLU  45           H        GLU  45  -5.922  -2.308  -0.473
  363    HA   GLU  45           HA       GLU  45  -5.442  -4.284  -2.603
  364   1HB   GLU  45          1HB       GLU  45  -7.183  -5.106  -1.069
  365   2HB   GLU  45          2HB       GLU  45  -8.069  -3.600  -1.253
  366   1HG   GLU  45          1HG       GLU  45  -8.179  -4.170  -3.740
  367   2HG   GLU  45          2HG       GLU  45  -7.669  -5.787  -3.258
  368    H    VAL  46           H        VAL  46  -5.327  -3.350  -4.547
  369    HA   VAL  46           HA       VAL  46  -6.644  -0.732  -4.950
  370    HB   VAL  46           HB       VAL  46  -5.061  -1.456  -7.199
  371   1HG1  VAL  46          1HG1      VAL  46  -3.978   0.656  -6.802
  372   2HG1  VAL  46          2HG1      VAL  46  -4.606   0.699  -5.153
  373   3HG1  VAL  46          3HG1      VAL  46  -5.716   0.794  -6.525
  374   1HG2  VAL  46          1HG2      VAL  46  -3.553  -1.629  -4.607
  375   2HG2  VAL  46          2HG2      VAL  46  -2.818  -1.482  -6.204
  376   3HG2  VAL  46          3HG2      VAL  46  -3.779  -2.906  -5.802
  377    H    ASN  47           H        ASN  47  -8.518  -0.969  -5.890
  378    HA   ASN  47           HA       ASN  47 -10.261  -1.597  -7.114
  379   1HB   ASN  47          1HB       ASN  47  -9.639  -2.612  -9.454
  380   2HB   ASN  47          2HB       ASN  47  -9.411  -0.925  -9.112
  381   1HD2  ASN  47          1HD2      ASN  47  -7.302  -0.103  -8.947
  382   2HD2  ASN  47          2HD2      ASN  47  -5.943  -1.000  -9.542
  383    H    ASP  48           H        ASP  48  -7.890  -4.066  -7.646
  384    HA   ASP  48           HA       ASP  48  -9.595  -6.079  -6.389
  385   1HB   ASP  48          1HB       ASP  48 -10.251  -5.967  -8.838
  386   2HB   ASP  48          2HB       ASP  48  -8.637  -6.583  -9.203
  387    H    ARG  49           H        ARG  49  -6.549  -4.890  -7.124
  388    HA   ARG  49           HA       ARG  49  -5.216  -7.467  -6.787
  389   1HB   ARG  49          1HB       ARG  49  -4.103  -4.737  -7.461
  390   2HB   ARG  49          2HB       ARG  49  -3.138  -6.196  -7.299
  391   1HG   ARG  49          1HG       ARG  49  -5.327  -5.772  -9.334
  392   2HG   ARG  49          2HG       ARG  49  -3.599  -5.610  -9.640
  393   1HD   ARG  49          1HD       ARG  49  -3.960  -7.745 -10.379
  394   2HD   ARG  49          2HD       ARG  49  -3.521  -8.060  -8.706
  395    HE   ARG  49           HE       ARG  49  -6.353  -7.872  -9.511
  396   1HH1  ARG  49          1HH1      ARG  49  -3.676  -9.671  -8.141
  397   2HH1  ARG  49          2HH1      ARG  49  -4.675 -10.977  -7.565
  398   1HH2  ARG  49          1HH2      ARG  49  -7.683  -9.582  -8.754
  399   2HH2  ARG  49          2HH2      ARG  49  -6.950 -10.936  -7.944
  400    H    GLN  50           H        GLN  50  -4.802  -8.107  -4.818
  401    HA   GLN  50           HA       GLN  50  -4.469  -6.120  -2.693
  402   1HB   GLN  50          1HB       GLN  50  -5.036  -9.079  -2.677
  403   2HB   GLN  50          2HB       GLN  50  -4.577  -8.209  -1.219
  404   1HG   GLN  50          1HG       GLN  50  -6.518  -6.711  -1.562
  405   2HG   GLN  50          2HG       GLN  50  -6.997  -7.712  -2.932
  406   1HE2  GLN  50          1HE2      GLN  50  -8.949  -7.680  -1.407
  407   2HE2  GLN  50          2HE2      GLN  50  -9.041  -9.009  -0.291
  408    H    GLY  51           H        GLY  51  -2.623  -5.818  -1.637
  409   1HA   GLY  51          1HA       GLY  51  -0.565  -7.579  -1.323
  410   2HA   GLY  51          2HA       GLY  51  -0.126  -6.734  -2.731
  411    H    PHE  52           H        PHE  52   1.703  -6.184  -1.245
  412    HA   PHE  52           HA       PHE  52   1.010  -4.244   0.817
  413   1HB   PHE  52          1HB       PHE  52   3.478  -5.839   0.206
  414   2HB   PHE  52          2HB       PHE  52   3.474  -4.524   1.381
  415    HD1  PHE  52           HD1      PHE  52   2.944  -4.965   3.575
  416    HD2  PHE  52           HD2      PHE  52   1.652  -7.656   0.526
  417    HE1  PHE  52           HE1      PHE  52   2.141  -6.526   5.301
  418    HE2  PHE  52           HE2      PHE  52   0.850  -9.221   2.259
  419    HZ   PHE  52           HZ       PHE  52   1.094  -8.657   4.643
  420    H    VAL  53           H        VAL  53   1.877  -2.265   1.004
  421    HA   VAL  53           HA       VAL  53   3.580  -1.176  -1.110
  422    HB   VAL  53           HB       VAL  53   2.235   0.827  -1.348
  423   1HG1  VAL  53          1HG1      VAL  53   0.285  -0.056  -2.489
  424   2HG1  VAL  53          2HG1      VAL  53   0.493  -1.599  -1.661
  425   3HG1  VAL  53          3HG1      VAL  53   1.706  -1.051  -2.818
  426   1HG2  VAL  53          1HG2      VAL  53   0.440  -0.447   0.703
  427   2HG2  VAL  53          2HG2      VAL  53  -0.057   0.910  -0.310
  428   3HG2  VAL  53          3HG2      VAL  53   1.295   1.095   0.812
  429    HA   PRO  54           HA       PRO  54   5.671   0.817   2.257
  430   1HB   PRO  54          1HB       PRO  54   5.515   3.345   0.693
  431   2HB   PRO  54          2HB       PRO  54   6.939   2.522   1.349
  432   1HG   PRO  54          1HG       PRO  54   6.422   2.451  -1.252
  433   2HG   PRO  54          2HG       PRO  54   7.013   0.997  -0.422
  434   1HD   PRO  54          1HD       PRO  54   4.230   1.697  -1.284
  435   2HD   PRO  54          2HD       PRO  54   5.081   0.141  -1.384
  436    H    ALA  55           H        ALA  55   4.777   1.471   4.106
  437    HA   ALA  55           HA       ALA  55   2.195   2.568   4.316
  438   1HB   ALA  55          1HB       ALA  55   4.452   2.548   6.314
  439   2HB   ALA  55          2HB       ALA  55   3.190   1.327   6.132
  440   3HB   ALA  55          3HB       ALA  55   2.775   2.951   6.682
  441    H    ALA  56           H        ALA  56   5.372   4.034   4.136
  442    HA   ALA  56           HA       ALA  56   4.584   6.665   4.891
  443   1HB   ALA  56          1HB       ALA  56   6.974   5.860   3.234
  444   2HB   ALA  56          2HB       ALA  56   6.915   5.796   4.997
  445   3HB   ALA  56          3HB       ALA  56   6.769   7.344   4.167
  446    H    TYR  57           H        TYR  57   3.847   4.874   2.199
  447    HA   TYR  57           HA       TYR  57   3.770   7.203   0.387
  448   1HB   TYR  57          1HB       TYR  57   3.673   4.230  -0.093
  449   2HB   TYR  57          2HB       TYR  57   3.083   5.364  -1.310
  450    HD1  TYR  57           HD1      TYR  57   4.564   5.509  -3.042
  451    HD2  TYR  57           HD2      TYR  57   6.092   5.340   0.924
  452    HE1  TYR  57           HE1      TYR  57   6.839   5.776  -3.917
  453    HE2  TYR  57           HE2      TYR  57   8.369   5.626   0.068
  454    HH   TYR  57           HH       TYR  57   9.649   5.478  -1.827
  455    H    VAL  58           H        VAL  58   1.921   5.829   2.632
  456    HA   VAL  58           HA       VAL  58  -0.545   6.523   1.225
  457    HB   VAL  58           HB       VAL  58   0.278   3.926   2.000
  458   1HG1  VAL  58          1HG1      VAL  58  -2.029   4.964   3.601
  459   2HG1  VAL  58          2HG1      VAL  58  -0.570   4.146   4.170
  460   3HG1  VAL  58          3HG1      VAL  58  -1.786   3.252   3.257
  461   1HG2  VAL  58          1HG2      VAL  58  -0.926   4.498  -0.028
  462   2HG2  VAL  58          2HG2      VAL  58  -2.361   4.880   0.928
  463   3HG2  VAL  58          3HG2      VAL  58  -1.747   3.228   0.878
  464    H    LYS  59           H        LYS  59  -2.220   7.318   2.567
  465    HA   LYS  59           HA       LYS  59  -1.482   7.832   5.365
  466   1HB   LYS  59          1HB       LYS  59  -1.077   9.993   4.757
  467   2HB   LYS  59          2HB       LYS  59  -1.865   9.783   3.201
  468   1HG   LYS  59          1HG       LYS  59  -3.700   9.910   5.484
  469   2HG   LYS  59          2HG       LYS  59  -2.759  11.378   5.196
  470   1HD   LYS  59          1HD       LYS  59  -3.576  11.564   2.972
  471   2HD   LYS  59          2HD       LYS  59  -4.286   9.948   3.027
  472   1HE   LYS  59          1HE       LYS  59  -6.036  11.582   3.263
  473   2HE   LYS  59          2HE       LYS  59  -5.830  10.734   4.796
  474   1HZ   LYS  59          1HZ       LYS  59  -4.474  12.625   5.566
  475   2HZ   LYS  59          2HZ       LYS  59  -6.066  13.072   5.201
  476   3HZ   LYS  59          3HZ       LYS  59  -4.813  13.445   4.120
  477    H    LYS  60           H        LYS  60  -3.084   7.731   6.811
  478    HA   LYS  60           HA       LYS  60  -5.466   6.352   6.248
  479   1HB   LYS  60          1HB       LYS  60  -4.315   7.637   8.614
  480   2HB   LYS  60          2HB       LYS  60  -6.036   7.881   8.524
  481   1HG   LYS  60          1HG       LYS  60  -5.472   5.992   9.915
  482   2HG   LYS  60          2HG       LYS  60  -6.408   5.481   8.521
  483   1HD   LYS  60          1HD       LYS  60  -4.667   4.363   7.601
  484   2HD   LYS  60          2HD       LYS  60  -3.452   5.396   8.334
  485   1HE   LYS  60          1HE       LYS  60  -3.530   3.083   9.301
  486   2HE   LYS  60          2HE       LYS  60  -3.821   4.332  10.482
  487   1HZ   LYS  60          1HZ       LYS  60  -5.738   2.431   9.330
  488   2HZ   LYS  60          2HZ       LYS  60  -6.284   3.912   9.938
  489   3HZ   LYS  60          3HZ       LYS  60  -5.465   2.833  10.954
  490    H    LEU  61           H        LEU  61  -7.205   7.019   5.177
  491    HA   LEU  61           HA       LEU  61  -7.661   9.826   4.693
  492   1HB   LEU  61          1HB       LEU  61  -9.116   7.310   3.944
  493   2HB   LEU  61          2HB       LEU  61  -9.873   8.872   3.707
  494    HG   LEU  61           HG       LEU  61  -7.204   8.152   2.506
  495   1HD1  LEU  61          1HD1      LEU  61  -8.373   7.673   0.450
  496   2HD1  LEU  61          2HD1      LEU  61  -9.923   7.998   1.223
  497   3HD1  LEU  61          3HD1      LEU  61  -8.958   6.612   1.732
  498   1HD2  LEU  61          1HD2      LEU  61  -7.356  10.455   2.405
  499   2HD2  LEU  61          2HD2      LEU  61  -9.113  10.436   2.253
  500   3HD2  LEU  61          3HD2      LEU  61  -8.103   9.983   0.881
  501    H    ASP  62           H        ASP  62  -8.587   7.515   6.971
  502    HA   ASP  62           HA       ASP  62 -10.538   9.360   8.159
  503   1HB   ASP  62          1HB       ASP  62 -11.654   7.315   7.364
  504   2HB   ASP  62          2HB       ASP  62 -10.529   6.333   8.298
  505   1H    ACE   0          1H        ACE   0   4.497 -12.017   1.783
  506   2H    ACE   0          2H        ACE   0   3.194 -11.740   2.935
  507   3H    ACE   0          3H        ACE   0   4.722 -12.401   3.515
  508    H    ALA   1           H        ALA   1   4.349 -10.495   4.992
  509    HA   ALA   1           HA       ALA   1   4.720  -7.855   4.025
  510   1HB   ALA   1          1HB       ALA   1   3.711  -8.296   6.195
  511   2HB   ALA   1          2HB       ALA   1   5.136  -7.270   6.370
  512   3HB   ALA   1          3HB       ALA   1   5.225  -8.986   6.777
  513    HA   PRO   2           HA       PRO   2   9.044  -8.268   2.922
  514   1HB   PRO   2          1HB       PRO   2   8.775  -5.309   2.863
  515   2HB   PRO   2          2HB       PRO   2   9.402  -6.408   1.629
  516   1HG   PRO   2          1HG       PRO   2   7.003  -5.302   1.347
  517   2HG   PRO   2          2HG       PRO   2   7.279  -6.994   0.881
  518   1HD   PRO   2          1HD       PRO   2   5.951  -5.887   3.326
  519   2HD   PRO   2          2HD       PRO   2   5.507  -7.298   2.341
  520    H    SER   3           H        SER   3  10.518  -8.624   4.438
  521    HA   SER   3           HA       SER   3  10.513  -7.104   6.905
  522   1HB   SER   3          1HB       SER   3  12.475  -9.259   6.134
  523   2HB   SER   3          2HB       SER   3  11.968  -8.771   7.750
  524    HG   SER   3           HG       SER   3   9.759  -9.457   6.698
  525    H    TYR   4           H        TYR   4  11.178  -5.548   4.657
  526    HA   TYR   4           HA       TYR   4  13.840  -4.686   5.451
  527   1HB   TYR   4          1HB       TYR   4  14.456  -4.300   3.039
  528   2HB   TYR   4          2HB       TYR   4  14.395  -5.987   3.524
  529    HD1  TYR   4           HD1      TYR   4  12.624  -3.351   1.634
  530    HD2  TYR   4           HD2      TYR   4  12.901  -7.511   2.473
  531    HE1  TYR   4           HE1      TYR   4  11.138  -3.827  -0.263
  532    HE2  TYR   4           HE2      TYR   4  11.410  -7.997   0.580
  533    HH   TYR   4           HH       TYR   4   9.460  -6.412  -0.701
  534    H    SER   5           H        SER   5  14.273  -2.492   4.161
  535    HA   SER   5           HA       SER   5  11.966  -0.849   4.815
  536   1HB   SER   5          1HB       SER   5  14.713   0.043   3.932
  537   2HB   SER   5          2HB       SER   5  13.485   1.008   4.753
  538    HG   SER   5           HG       SER   5  13.690  -0.605   6.500
  539    HA   PRO   6           HA       PRO   6  10.833  -0.237   0.568
  540   1HB   PRO   6          1HB       PRO   6   9.097   1.790   0.892
  541   2HB   PRO   6          2HB       PRO   6   8.735   0.158   1.466
  542   1HG   PRO   6          1HG       PRO   6   9.674   2.543   3.002
  543   2HG   PRO   6          2HG       PRO   6   8.470   1.323   3.451
  544   1HD   PRO   6          1HD       PRO   6  11.076   1.330   4.331
  545   2HD   PRO   6          2HD       PRO   6  10.052  -0.116   4.247
  546    HA   PRO   7           HA       PRO   7  13.327   2.957  -1.207
  547   1HB   PRO   7          1HB       PRO   7  11.609   3.955  -3.139
  548   2HB   PRO   7          2HB       PRO   7  12.624   2.523  -3.327
  549   1HG   PRO   7          1HG       PRO   7   9.731   2.719  -2.631
  550   2HG   PRO   7          2HG       PRO   7  10.561   1.546  -3.672
  551   1HD   PRO   7          1HD       PRO   7   9.800   0.917  -1.170
  552   2HD   PRO   7          2HD       PRO   7  11.307   0.289  -1.869
  553    HA   PRO   8           HA       PRO   8  12.312   6.563   1.178
  554   1HB   PRO   8          1HB       PRO   8  13.904   8.289  -0.344
  555   2HB   PRO   8          2HB       PRO   8  14.425   7.368   1.070
  556   1HG   PRO   8          1HG       PRO   8  14.759   6.745  -1.827
  557   2HG   PRO   8          2HG       PRO   8  15.868   6.450  -0.475
  558   1HD   PRO   8          1HD       PRO   8  14.440   4.461  -1.543
  559   2HD   PRO   8          2HD       PRO   8  14.724   4.546   0.210
  560    HA   PRO   9           HA       PRO   9   8.919   8.162  -1.268
  561   1HB   PRO   9          1HB       PRO   9   8.920  10.161   0.936
  562   2HB   PRO   9          2HB       PRO   9   7.596   9.169   0.317
  563   1HG   PRO   9          1HG       PRO   9   8.748   8.586   2.641
  564   2HG   PRO   9          2HG       PRO   9   8.259   7.300   1.521
  565   1HD   PRO   9          1HD       PRO   9  10.983   8.405   2.066
  566   2HD   PRO   9          2HD       PRO   9  10.484   6.726   1.771
  567    HA   PRO  10           HA       PRO  10  11.157  11.587  -3.092
  568   1HB   PRO  10          1HB       PRO  10  10.022  11.432  -5.509
  569   2HB   PRO  10          2HB       PRO  10  11.169  10.208  -4.952
  570   1HG   PRO  10          1HG       PRO  10   8.220  10.055  -5.216
  571   2HG   PRO  10          2HG       PRO  10   9.431   8.770  -5.358
  572   1HD   PRO  10          1HD       PRO  10   7.818   9.385  -3.097
  573   2HD   PRO  10          2HD       PRO  10   9.140   8.205  -3.185
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1 -10.023  -9.258  -2.794
    2   2H    MET   1          2H        MET   1 -10.504  -7.728  -2.241
    3   3H    MET   1          3H        MET   1 -10.898  -8.228  -3.813
    4    HA   MET   1           HA       MET   1 -12.668  -9.357  -3.189
    5   1HB   MET   1          1HB       MET   1 -10.730 -10.666  -1.642
    6   2HB   MET   1          2HB       MET   1 -12.013 -10.249  -0.513
    7   1HG   MET   1          1HG       MET   1 -12.316 -11.820  -3.065
    8   2HG   MET   1          2HG       MET   1 -12.373 -12.455  -1.422
    9   1HE   MET   1          1HE       MET   1 -14.778 -13.610  -2.329
   10   2HE   MET   1          2HE       MET   1 -14.523 -12.761  -3.854
   11   3HE   MET   1          3HE       MET   1 -16.064 -12.613  -3.009
   12    H    ASP   2           H        ASP   2 -12.190  -6.615  -2.622
   13    HA   ASP   2           HA       ASP   2 -14.276  -6.219  -0.638
   14   1HB   ASP   2          1HB       ASP   2 -11.891  -6.046   0.448
   15   2HB   ASP   2          2HB       ASP   2 -11.821  -4.497  -0.386
   16    H    GLU   3           H        GLU   3 -14.470  -3.593  -0.505
   17    HA   GLU   3           HA       GLU   3 -14.045  -2.398  -3.145
   18   1HB   GLU   3          1HB       GLU   3 -16.793  -3.199  -2.177
   19   2HB   GLU   3          2HB       GLU   3 -16.634  -1.693  -3.079
   20   1HG   GLU   3          1HG       GLU   3 -15.598  -2.936  -4.925
   21   2HG   GLU   3          2HG       GLU   3 -15.787  -4.434  -4.017
   22    H    THR   4           H        THR   4 -12.724  -1.489  -1.196
   23    HA   THR   4           HA       THR   4 -12.233   0.180   0.266
   24    HB   THR   4           HB       THR   4 -12.999   2.442  -0.367
   25    HG1  THR   4           HG1      THR   4 -14.870   0.965  -1.815
   26   1HG2  THR   4          1HG2      THR   4 -12.016   2.531  -2.582
   27   2HG2  THR   4          2HG2      THR   4 -12.216   0.792  -2.774
   28   3HG2  THR   4          3HG2      THR   4 -11.098   1.425  -1.563
   29    H    GLY   5           H        GLY   5 -14.401  -1.517   1.168
   30   1HA   GLY   5          1HA       GLY   5 -16.177   0.399   2.531
   31   2HA   GLY   5          2HA       GLY   5 -16.465  -1.326   2.369
   32    H    LYS   6           H        LYS   6 -13.922   0.778   3.667
   33    HA   LYS   6           HA       LYS   6 -14.170   0.233   6.347
   34   1HB   LYS   6          1HB       LYS   6 -12.412  -1.431   6.785
   35   2HB   LYS   6          2HB       LYS   6 -13.755  -2.105   5.881
   36   1HG   LYS   6          1HG       LYS   6 -12.373  -1.757   3.801
   37   2HG   LYS   6          2HG       LYS   6 -11.028  -1.396   4.883
   38   1HD   LYS   6          1HD       LYS   6 -11.329  -3.805   3.973
   39   2HD   LYS   6          2HD       LYS   6 -10.897  -3.560   5.663
   40   1HE   LYS   6          1HE       LYS   6 -12.639  -5.263   5.425
   41   2HE   LYS   6          2HE       LYS   6 -13.222  -3.866   6.326
   42   1HZ   LYS   6          1HZ       LYS   6 -14.870  -4.609   4.752
   43   2HZ   LYS   6          2HZ       LYS   6 -13.774  -4.465   3.465
   44   3HZ   LYS   6          3HZ       LYS   6 -14.303  -3.081   4.295
   45    H    GLU   7           H        GLU   7 -11.314  -0.166   6.814
   46    HA   GLU   7           HA       GLU   7 -10.427   2.445   7.032
   47   1HB   GLU   7          1HB       GLU   7  -9.395  -0.135   7.545
   48   2HB   GLU   7          2HB       GLU   7  -8.183   0.695   6.587
   49   1HG   GLU   7          1HG       GLU   7  -9.218   1.350   9.304
   50   2HG   GLU   7          2HG       GLU   7  -7.559   1.163   8.759
   51    H    LEU   8           H        LEU   8  -9.848   3.908   5.550
   52    HA   LEU   8           HA       LEU   8  -8.822   2.900   2.988
   53   1HB   LEU   8          1HB       LEU   8 -10.523   5.327   3.513
   54   2HB   LEU   8          2HB       LEU   8  -9.769   4.960   1.969
   55    HG   LEU   8           HG       LEU   8 -11.686   3.129   3.362
   56   1HD1  LEU   8          1HD1      LEU   8 -13.354   3.868   1.676
   57   2HD1  LEU   8          2HD1      LEU   8 -12.239   5.142   1.182
   58   3HD1  LEU   8          3HD1      LEU   8 -12.907   5.137   2.815
   59   1HD2  LEU   8          1HD2      LEU   8 -11.854   2.060   1.150
   60   2HD2  LEU   8          2HD2      LEU   8 -10.229   1.985   1.830
   61   3HD2  LEU   8          3HD2      LEU   8 -10.599   3.149   0.556
   62    H    VAL   9           H        VAL   9  -7.280   4.015   1.946
   63    HA   VAL   9           HA       VAL   9  -5.865   6.099   3.454
   64    HB   VAL   9           HB       VAL   9  -3.711   5.012   2.512
   65   1HG1  VAL   9          1HG1      VAL   9  -5.235   3.897   4.845
   66   2HG1  VAL   9          2HG1      VAL   9  -4.082   5.237   4.839
   67   3HG1  VAL   9          3HG1      VAL   9  -3.524   3.593   4.534
   68   1HG2  VAL   9          1HG2      VAL   9  -5.546   2.626   2.569
   69   2HG2  VAL   9          2HG2      VAL   9  -3.792   2.572   2.382
   70   3HG2  VAL   9          3HG2      VAL   9  -4.791   3.330   1.140
   71    H    LEU  10           H        LEU  10  -4.375   7.322   2.199
   72    HA   LEU  10           HA       LEU  10  -5.229   7.550  -0.616
   73   1HB   LEU  10          1HB       LEU  10  -5.771   9.510   0.710
   74   2HB   LEU  10          2HB       LEU  10  -4.119   9.615   1.286
   75    HG   LEU  10           HG       LEU  10  -3.566   9.850  -1.278
   76   1HD1  LEU  10          1HD1      LEU  10  -5.409  11.266  -2.317
   77   2HD1  LEU  10          2HD1      LEU  10  -6.470  10.572  -1.094
   78   3HD1  LEU  10          3HD1      LEU  10  -5.663   9.523  -2.257
   79   1HD2  LEU  10          1HD2      LEU  10  -4.733  12.072   0.394
   80   2HD2  LEU  10          2HD2      LEU  10  -3.726  12.289  -1.039
   81   3HD2  LEU  10          3HD2      LEU  10  -3.056  11.522   0.404
   82    H    ALA  11           H        ALA  11  -3.719   7.386  -2.188
   83    HA   ALA  11           HA       ALA  11  -1.047   6.611  -1.392
   84   1HB   ALA  11          1HB       ALA  11  -1.830   6.980  -4.254
   85   2HB   ALA  11          2HB       ALA  11  -2.535   5.650  -3.331
   86   3HB   ALA  11          3HB       ALA  11  -0.785   5.762  -3.520
   87    H    LEU  12           H        LEU  12   0.333   8.185  -0.899
   88    HA   LEU  12           HA       LEU  12   0.116  10.848  -1.839
   89   1HB   LEU  12          1HB       LEU  12   2.163   9.344  -0.243
   90   2HB   LEU  12          2HB       LEU  12   2.457  11.000  -0.770
   91    HG   LEU  12           HG       LEU  12   0.327  11.651   0.388
   92   1HD1  LEU  12          1HD1      LEU  12   0.540   8.872   1.493
   93   2HD1  LEU  12          2HD1      LEU  12  -0.771   9.540   0.520
   94   3HD1  LEU  12          3HD1      LEU  12  -0.486  10.144   2.153
   95   1HD2  LEU  12          1HD2      LEU  12   1.336  11.651   2.634
   96   2HD2  LEU  12          2HD2      LEU  12   2.512  12.086   1.394
   97   3HD2  LEU  12          3HD2      LEU  12   2.523  10.465   2.090
   98    H    TYR  13           H        TYR  13   2.120   8.105  -2.790
   99    HA   TYR  13           HA       TYR  13   3.093   9.724  -5.039
  100   1HB   TYR  13          1HB       TYR  13   4.958   7.765  -3.758
  101   2HB   TYR  13          2HB       TYR  13   5.331   9.198  -4.708
  102    HD1  TYR  13           HD1      TYR  13   5.050  11.462  -3.647
  103    HD2  TYR  13           HD2      TYR  13   4.870   7.853  -1.407
  104    HE1  TYR  13           HE1      TYR  13   5.448  12.734  -1.583
  105    HE2  TYR  13           HE2      TYR  13   5.264   9.116   0.668
  106    HH   TYR  13           HH       TYR  13   6.555  11.790   0.978
  107    H    ASP  14           H        ASP  14   4.185   8.277  -6.691
  108    HA   ASP  14           HA       ASP  14   2.424   6.068  -7.254
  109   1HB   ASP  14          1HB       ASP  14   3.623   5.979  -9.430
  110   2HB   ASP  14          2HB       ASP  14   2.979   7.582  -9.095
  111    H    TYR  15           H        TYR  15   2.981   3.989  -7.154
  112    HA   TYR  15           HA       TYR  15   5.757   3.302  -6.527
  113   1HB   TYR  15          1HB       TYR  15   4.525   3.470  -4.387
  114   2HB   TYR  15          2HB       TYR  15   3.370   2.274  -4.973
  115    HD1  TYR  15           HD1      TYR  15   3.721   0.043  -4.440
  116    HD2  TYR  15           HD2      TYR  15   7.032   2.713  -4.473
  117    HE1  TYR  15           HE1      TYR  15   5.181  -1.762  -3.633
  118    HE2  TYR  15           HE2      TYR  15   8.493   0.925  -3.675
  119    HH   TYR  15           HH       TYR  15   7.465  -2.377  -3.492
  120    H    GLN  16           H        GLN  16   6.368   1.205  -7.143
  121    HA   GLN  16           HA       GLN  16   4.391  -0.245  -8.791
  122   1HB   GLN  16          1HB       GLN  16   6.222   0.979 -10.070
  123   2HB   GLN  16          2HB       GLN  16   7.361  -0.141  -9.335
  124   1HG   GLN  16          1HG       GLN  16   6.997  -1.442 -11.092
  125   2HG   GLN  16          2HG       GLN  16   5.433  -1.805 -10.364
  126   1HE2  GLN  16          1HE2      GLN  16   4.536   0.996 -10.813
  127   2HE2  GLN  16          2HE2      GLN  16   4.138   1.067 -12.496
  128    H    GLU  17           H        GLU  17   4.169  -2.361  -8.355
  129    HA   GLU  17           HA       GLU  17   5.137  -3.481  -5.994
  130   1HB   GLU  17          1HB       GLU  17   4.298  -5.640  -6.927
  131   2HB   GLU  17          2HB       GLU  17   3.132  -4.326  -7.007
  132   1HG   GLU  17          1HG       GLU  17   4.034  -4.005  -9.412
  133   2HG   GLU  17          2HG       GLU  17   4.645  -5.647  -9.218
  134    H    LYS  18           H        LYS  18   6.986  -4.512  -5.434
  135    HA   LYS  18           HA       LYS  18   8.945  -4.961  -7.587
  136   1HB   LYS  18          1HB       LYS  18   9.359  -5.049  -4.595
  137   2HB   LYS  18          2HB       LYS  18  10.617  -5.157  -5.819
  138   1HG   LYS  18          1HG       LYS  18  10.088  -2.853  -6.541
  139   2HG   LYS  18          2HG       LYS  18   8.865  -2.748  -5.275
  140   1HD   LYS  18          1HD       LYS  18  11.761  -3.362  -4.693
  141   2HD   LYS  18          2HD       LYS  18  11.130  -1.718  -4.759
  142   1HE   LYS  18          1HE       LYS  18  11.196  -2.481  -2.455
  143   2HE   LYS  18          2HE       LYS  18   9.522  -2.284  -2.969
  144   1HZ   LYS  18          1HZ       LYS  18  10.791  -4.929  -3.191
  145   2HZ   LYS  18          2HZ       LYS  18   9.154  -4.535  -2.958
  146   3HZ   LYS  18          3HZ       LYS  18  10.254  -4.399  -1.677
  147    H    SER  19           H        SER  19   7.286  -6.653  -4.981
  148    HA   SER  19           HA       SER  19   8.328  -9.184  -6.053
  149   1HB   SER  19          1HB       SER  19   8.091 -10.118  -3.811
  150   2HB   SER  19          2HB       SER  19   9.089  -8.659  -3.745
  151    HG   SER  19           HG       SER  19   7.420  -7.538  -2.838
  152    HA   PRO  20           HA       PRO  20   4.244 -10.685  -6.891
  153   1HB   PRO  20          1HB       PRO  20   4.741 -13.007  -5.102
  154   2HB   PRO  20          2HB       PRO  20   4.303 -12.982  -6.818
  155   1HG   PRO  20          1HG       PRO  20   6.767 -13.599  -6.118
  156   2HG   PRO  20          2HG       PRO  20   6.501 -12.489  -7.481
  157   1HD   PRO  20          1HD       PRO  20   7.188 -11.841  -4.629
  158   2HD   PRO  20          2HD       PRO  20   7.939 -11.224  -6.121
  159    H    ALA  21           H        ALA  21   5.130  -9.939  -3.715
  160    HA   ALA  21           HA       ALA  21   2.390 -10.320  -2.725
  161   1HB   ALA  21          1HB       ALA  21   3.408  -9.996  -0.461
  162   2HB   ALA  21          2HB       ALA  21   4.992 -10.008  -1.241
  163   3HB   ALA  21          3HB       ALA  21   3.963 -11.438  -1.316
  164    H    GLU  22           H        GLU  22   3.788  -8.154  -4.381
  165    HA   GLU  22           HA       GLU  22   3.052  -5.851  -2.693
  166   1HB   GLU  22          1HB       GLU  22   5.315  -6.262  -4.576
  167   2HB   GLU  22          2HB       GLU  22   4.518  -4.702  -4.660
  168   1HG   GLU  22          1HG       GLU  22   5.172  -4.092  -2.576
  169   2HG   GLU  22          2HG       GLU  22   5.335  -5.752  -2.001
  170    H    VAL  23           H        VAL  23   2.112  -4.014  -3.843
  171    HA   VAL  23           HA       VAL  23   0.778  -4.772  -6.346
  172    HB   VAL  23           HB       VAL  23  -1.226  -3.401  -5.468
  173   1HG1  VAL  23          1HG1      VAL  23  -0.602  -6.143  -4.424
  174   2HG1  VAL  23          2HG1      VAL  23  -1.429  -5.728  -5.928
  175   3HG1  VAL  23          3HG1      VAL  23  -2.198  -5.396  -4.376
  176   1HG2  VAL  23          1HG2      VAL  23  -1.128  -4.154  -2.796
  177   2HG2  VAL  23          2HG2      VAL  23  -1.017  -2.523  -3.450
  178   3HG2  VAL  23          3HG2      VAL  23   0.452  -3.450  -3.134
  179    H    THR  24           H        THR  24   0.166  -2.997  -7.686
  180    HA   THR  24           HA       THR  24   1.991  -0.740  -7.348
  181    HB   THR  24           HB       THR  24   0.419  -1.656  -9.758
  182    HG1  THR  24           HG1      THR  24   2.044  -3.081  -9.558
  183   1HG2  THR  24          1HG2      THR  24   0.829   0.767  -9.799
  184   2HG2  THR  24          2HG2      THR  24   1.761  -0.080 -11.034
  185   3HG2  THR  24          3HG2      THR  24   2.549   0.468  -9.555
  186    H    MET  25           H        MET  25   1.369   1.299  -7.034
  187    HA   MET  25           HA       MET  25  -1.485   1.973  -7.222
  188   1HB   MET  25          1HB       MET  25  -1.402   3.203  -5.130
  189   2HB   MET  25          2HB       MET  25  -0.925   1.527  -4.844
  190   1HG   MET  25          1HG       MET  25   1.339   2.106  -4.589
  191   2HG   MET  25          2HG       MET  25   1.086   3.707  -5.289
  192   1HE   MET  25          1HE       MET  25  -1.636   2.414  -2.884
  193   2HE   MET  25          2HE       MET  25  -0.956   2.725  -1.285
  194   3HE   MET  25          3HE       MET  25  -0.271   1.459  -2.304
  195    H    LYS  26           H        LYS  26  -1.850   4.349  -7.224
  196    HA   LYS  26           HA       LYS  26   0.441   5.835  -8.308
  197   1HB   LYS  26          1HB       LYS  26  -2.371   5.879  -9.450
  198   2HB   LYS  26          2HB       LYS  26  -1.039   6.890  -9.988
  199   1HG   LYS  26          1HG       LYS  26  -0.932   5.283 -11.574
  200   2HG   LYS  26          2HG       LYS  26   0.109   4.532 -10.365
  201   1HD   LYS  26          1HD       LYS  26  -1.375   2.838 -11.065
  202   2HD   LYS  26          2HD       LYS  26  -1.974   3.377  -9.493
  203   1HE   LYS  26          1HE       LYS  26  -3.406   5.009 -10.995
  204   2HE   LYS  26          2HE       LYS  26  -3.125   3.766 -12.212
  205   1HZ   LYS  26          1HZ       LYS  26  -5.075   3.089 -11.216
  206   2HZ   LYS  26          2HZ       LYS  26  -4.587   3.562  -9.661
  207   3HZ   LYS  26          3HZ       LYS  26  -3.923   2.173 -10.372
  208    H    LYS  27           H        LYS  27   0.381   8.089  -7.908
  209    HA   LYS  27           HA       LYS  27  -0.734   8.862  -5.458
  210   1HB   LYS  27          1HB       LYS  27   1.052  10.213  -5.993
  211   2HB   LYS  27          2HB       LYS  27   0.642  10.273  -7.697
  212   1HG   LYS  27          1HG       LYS  27   0.365  12.455  -6.882
  213   2HG   LYS  27          2HG       LYS  27  -1.260  11.799  -7.073
  214   1HD   LYS  27          1HD       LYS  27  -1.453  11.418  -4.716
  215   2HD   LYS  27          2HD       LYS  27   0.243  11.834  -4.458
  216   1HE   LYS  27          1HE       LYS  27  -0.245  14.119  -5.283
  217   2HE   LYS  27          2HE       LYS  27  -1.946  13.678  -5.403
  218   1HZ   LYS  27          1HZ       LYS  27  -2.090  13.428  -3.070
  219   2HZ   LYS  27          2HZ       LYS  27  -1.291  14.895  -3.341
  220   3HZ   LYS  27          3HZ       LYS  27  -0.409  13.533  -2.869
  221    H    GLY  28           H        GLY  28  -2.723   9.438  -4.915
  222   1HA   GLY  28          1HA       GLY  28  -4.704  10.806  -5.318
  223   2HA   GLY  28          2HA       GLY  28  -4.486  10.501  -7.041
  224    H    ASP  29           H        ASP  29  -3.872   7.626  -5.638
  225    HA   ASP  29           HA       ASP  29  -6.527   6.634  -6.274
  226   1HB   ASP  29          1HB       ASP  29  -3.902   5.608  -6.534
  227   2HB   ASP  29          2HB       ASP  29  -4.726   4.587  -5.351
  228    H    ILE  30           H        ILE  30  -7.853   5.562  -4.841
  229    HA   ILE  30           HA       ILE  30  -7.193   5.967  -2.015
  230    HB   ILE  30           HB       ILE  30  -9.808   5.683  -3.480
  231   1HG1  ILE  30          1HG1      ILE  30 -10.425   7.680  -2.224
  232   2HG1  ILE  30          2HG1      ILE  30  -8.934   7.604  -1.299
  233   1HG2  ILE  30          1HG2      ILE  30  -9.409   5.225  -0.529
  234   2HG2  ILE  30          2HG2      ILE  30 -10.011   4.066  -1.713
  235   3HG2  ILE  30          3HG2      ILE  30 -10.972   5.487  -1.304
  236   1HD1  ILE  30          1HD1      ILE  30  -8.723   9.313  -2.937
  237   2HD1  ILE  30          2HD1      ILE  30  -9.247   8.228  -4.222
  238   3HD1  ILE  30          3HD1      ILE  30  -7.688   7.973  -3.434
  239    H    LEU  31           H        LEU  31  -6.314   4.312  -1.070
  240    HA   LEU  31           HA       LEU  31  -6.763   1.609  -2.099
  241   1HB   LEU  31          1HB       LEU  31  -4.665   2.912  -0.431
  242   2HB   LEU  31          2HB       LEU  31  -4.891   1.187  -0.300
  243    HG   LEU  31           HG       LEU  31  -3.061   1.900  -1.837
  244   1HD1  LEU  31          1HD1      LEU  31  -5.306   0.295  -3.024
  245   2HD1  LEU  31          2HD1      LEU  31  -3.995  -0.302  -2.003
  246   3HD1  LEU  31          3HD1      LEU  31  -3.646   0.319  -3.615
  247   1HD2  LEU  31          1HD2      LEU  31  -5.335   2.846  -3.572
  248   2HD2  LEU  31          2HD2      LEU  31  -3.647   2.704  -4.072
  249   3HD2  LEU  31          3HD2      LEU  31  -4.104   3.863  -2.822
  250    H    THR  32           H        THR  32  -7.380  -0.075  -0.794
  251    HA   THR  32           HA       THR  32  -8.835   0.670   1.627
  252    HB   THR  32           HB       THR  32  -8.863  -2.045   0.311
  253    HG1  THR  32           HG1      THR  32  -9.680  -0.937  -1.339
  254   1HG2  THR  32          1HG2      THR  32 -10.485  -0.587   2.340
  255   2HG2  THR  32          2HG2      THR  32  -9.943  -2.270   2.327
  256   3HG2  THR  32          3HG2      THR  32 -11.294  -1.767   1.306
  257    H    LEU  33           H        LEU  33  -7.964   0.241   3.570
  258    HA   LEU  33           HA       LEU  33  -5.421  -1.092   3.730
  259   1HB   LEU  33          1HB       LEU  33  -7.056   0.570   5.455
  260   2HB   LEU  33          2HB       LEU  33  -6.328  -0.762   6.327
  261    HG   LEU  33           HG       LEU  33  -4.902   1.382   4.767
  262   1HD1  LEU  33          1HD1      LEU  33  -5.791   1.930   7.041
  263   2HD1  LEU  33          2HD1      LEU  33  -4.037   2.061   6.879
  264   3HD1  LEU  33          3HD1      LEU  33  -4.742   0.663   7.686
  265   1HD2  LEU  33          1HD2      LEU  33  -3.684  -0.654   4.401
  266   2HD2  LEU  33          2HD2      LEU  33  -3.791  -1.078   6.109
  267   3HD2  LEU  33          3HD2      LEU  33  -2.820   0.306   5.601
  268    H    LEU  34           H        LEU  34  -5.127  -3.170   3.942
  269    HA   LEU  34           HA       LEU  34  -7.328  -4.833   4.938
  270   1HB   LEU  34          1HB       LEU  34  -4.823  -5.734   3.526
  271   2HB   LEU  34          2HB       LEU  34  -6.276  -6.669   3.813
  272    HG   LEU  34           HG       LEU  34  -6.042  -4.299   1.957
  273   1HD1  LEU  34          1HD1      LEU  34  -6.613  -7.134   1.188
  274   2HD1  LEU  34          2HD1      LEU  34  -4.963  -6.525   1.318
  275   3HD1  LEU  34          3HD1      LEU  34  -6.088  -5.792   0.172
  276   1HD2  LEU  34          1HD2      LEU  34  -8.321  -4.986   1.234
  277   2HD2  LEU  34          2HD2      LEU  34  -8.255  -4.345   2.876
  278   3HD2  LEU  34          3HD2      LEU  34  -8.378  -6.086   2.613
  279    H    ASN  35           H        ASN  35  -3.911  -4.098   5.347
  280    HA   ASN  35           HA       ASN  35  -4.042  -4.959   8.108
  281   1HB   ASN  35          1HB       ASN  35  -3.419  -7.019   6.779
  282   2HB   ASN  35          2HB       ASN  35  -1.939  -6.182   6.317
  283   1HD2  ASN  35          1HD2      ASN  35  -3.613  -7.860   8.806
  284   2HD2  ASN  35          2HD2      ASN  35  -2.314  -7.887   9.957
  285    H    SER  36           H        SER  36  -2.654  -3.844   9.392
  286    HA   SER  36           HA       SER  36  -0.539  -2.264   8.133
  287   1HB   SER  36          1HB       SER  36  -1.338  -0.351   9.715
  288   2HB   SER  36          2HB       SER  36  -2.215  -0.619   8.198
  289    HG   SER  36           HG       SER  36  -3.723  -1.893   9.427
  290    H    THR  37           H        THR  37  -0.487  -4.672   9.744
  291    HA   THR  37           HA       THR  37   0.231  -3.986  12.430
  292    HB   THR  37           HB       THR  37  -0.668  -6.230  11.568
  293    HG1  THR  37           HG1      THR  37   1.449  -6.898  13.185
  294   1HG2  THR  37          1HG2      THR  37   2.274  -6.616  11.015
  295   2HG2  THR  37          2HG2      THR  37   0.972  -6.651   9.826
  296   3HG2  THR  37          3HG2      THR  37   1.073  -7.907  11.060
  297    H    ASN  38           H        ASN  38   1.748  -3.567   9.549
  298    HA   ASN  38           HA       ASN  38   4.460  -3.748  10.675
  299   1HB   ASN  38          1HB       ASN  38   3.916  -5.002   8.552
  300   2HB   ASN  38          2HB       ASN  38   3.631  -3.454   7.780
  301   1HD2  ASN  38          1HD2      ASN  38   5.561  -5.514   7.097
  302   2HD2  ASN  38          2HD2      ASN  38   7.117  -4.768   7.176
  303    H    LYS  39           H        LYS  39   5.789  -1.863  10.557
  304    HA   LYS  39           HA       LYS  39   4.195   0.584  10.437
  305   1HB   LYS  39          1HB       LYS  39   6.061   1.678  11.613
  306   2HB   LYS  39          2HB       LYS  39   5.383   0.325  12.499
  307   1HG   LYS  39          1HG       LYS  39   7.321  -0.801  12.489
  308   2HG   LYS  39          2HG       LYS  39   7.707  -0.343  10.833
  309   1HD   LYS  39          1HD       LYS  39   7.925   1.517  13.186
  310   2HD   LYS  39          2HD       LYS  39   9.273   0.574  12.546
  311   1HE   LYS  39          1HE       LYS  39   9.082   1.686  10.408
  312   2HE   LYS  39          2HE       LYS  39   7.651   2.554  10.956
  313   1HZ   LYS  39          1HZ       LYS  39   9.578   3.966  11.054
  314   2HZ   LYS  39          2HZ       LYS  39  10.402   2.857  12.038
  315   3HZ   LYS  39          3HZ       LYS  39   9.025   3.658  12.628
  316    H    ASP  40           H        ASP  40   6.212  -1.052   8.375
  317    HA   ASP  40           HA       ASP  40   6.887   1.474   7.000
  318   1HB   ASP  40          1HB       ASP  40   8.471  -1.046   7.308
  319   2HB   ASP  40          2HB       ASP  40   8.687  -0.050   5.866
  320    H    TRP  41           H        TRP  41   5.358  -1.577   6.754
  321    HA   TRP  41           HA       TRP  41   4.699  -1.031   3.952
  322   1HB   TRP  41          1HB       TRP  41   5.398  -3.714   5.172
  323   2HB   TRP  41          2HB       TRP  41   4.697  -3.504   3.579
  324    HD1  TRP  41           HD1      TRP  41   7.964  -3.034   5.495
  325    HE1  TRP  41           HE1      TRP  41   9.876  -2.715   3.800
  326    HE3  TRP  41           HE3      TRP  41   5.197  -2.628   1.210
  327    HZ2  TRP  41           HZ2      TRP  41  10.166  -2.325   1.022
  328    HZ3  TRP  41           HZ3      TRP  41   6.370  -2.271  -0.916
  329    HH2  TRP  41           HH2      TRP  41   8.803  -2.124  -1.011
  330    H    TRP  42           H        TRP  42   2.568  -1.089   3.522
  331    HA   TRP  42           HA       TRP  42   0.800  -2.294   5.554
  332   1HB   TRP  42          1HB       TRP  42   0.554   0.309   4.059
  333   2HB   TRP  42          2HB       TRP  42  -0.887  -0.522   4.652
  334    HD1  TRP  42           HD1      TRP  42   1.729  -1.154   7.089
  335    HE1  TRP  42           HE1      TRP  42   1.587   0.442   9.086
  336    HE3  TRP  42           HE3      TRP  42  -1.447   2.296   5.124
  337    HZ2  TRP  42           HZ2      TRP  42   0.291   2.868   9.735
  338    HZ3  TRP  42           HZ3      TRP  42  -2.096   4.245   6.495
  339    HH2  TRP  42           HH2      TRP  42  -1.236   4.514   8.753
  340    H    LYS  43           H        LYS  43  -0.737  -3.683   4.821
  341    HA   LYS  43           HA       LYS  43  -0.619  -4.361   1.992
  342   1HB   LYS  43          1HB       LYS  43  -0.570  -6.169   3.709
  343   2HB   LYS  43          2HB       LYS  43  -2.193  -5.701   4.204
  344   1HG   LYS  43          1HG       LYS  43  -3.067  -6.270   2.016
  345   2HG   LYS  43          2HG       LYS  43  -1.448  -6.648   1.442
  346   1HD   LYS  43          1HD       LYS  43  -3.160  -8.509   2.345
  347   2HD   LYS  43          2HD       LYS  43  -1.412  -8.674   2.437
  348   1HE   LYS  43          1HE       LYS  43  -1.524  -7.708   4.740
  349   2HE   LYS  43          2HE       LYS  43  -3.290  -7.792   4.630
  350   1HZ   LYS  43          1HZ       LYS  43  -2.989 -10.219   4.149
  351   2HZ   LYS  43          2HZ       LYS  43  -2.596  -9.742   5.728
  352   3HZ   LYS  43          3HZ       LYS  43  -1.361 -10.048   4.600
  353    H    VAL  44           H        VAL  44  -2.010  -3.622   0.577
  354    HA   VAL  44           HA       VAL  44  -4.669  -2.764   1.477
  355    HB   VAL  44           HB       VAL  44  -4.434  -0.827  -0.179
  356   1HG1  VAL  44          1HG1      VAL  44  -4.491  -0.452   2.218
  357   2HG1  VAL  44          2HG1      VAL  44  -3.308   0.621   1.468
  358   3HG1  VAL  44          3HG1      VAL  44  -2.769  -0.815   2.339
  359   1HG2  VAL  44          1HG2      VAL  44  -1.512  -1.489   0.185
  360   2HG2  VAL  44          2HG2      VAL  44  -2.144  -0.026  -0.570
  361   3HG2  VAL  44          3HG2      VAL  44  -2.429  -1.597  -1.317
  362    H    GLU  45           H        GLU  45  -6.076  -2.287  -0.492
  363    HA   GLU  45           HA       GLU  45  -5.467  -4.208  -2.637
  364   1HB   GLU  45          1HB       GLU  45  -7.220  -5.004  -1.054
  365   2HB   GLU  45          2HB       GLU  45  -8.194  -3.604  -1.482
  366   1HG   GLU  45          1HG       GLU  45  -8.122  -4.409  -3.858
  367   2HG   GLU  45          2HG       GLU  45  -7.390  -5.893  -3.252
  368    H    VAL  46           H        VAL  46  -5.493  -3.420  -4.622
  369    HA   VAL  46           HA       VAL  46  -6.916  -0.879  -5.159
  370    HB   VAL  46           HB       VAL  46  -5.027  -1.239  -7.191
  371   1HG1  VAL  46          1HG1      VAL  46  -4.959   0.669  -4.873
  372   2HG1  VAL  46          2HG1      VAL  46  -5.878   0.872  -6.366
  373   3HG1  VAL  46          3HG1      VAL  46  -4.115   0.863  -6.411
  374   1HG2  VAL  46          1HG2      VAL  46  -2.885  -1.244  -5.991
  375   2HG2  VAL  46          2HG2      VAL  46  -3.767  -2.764  -5.848
  376   3HG2  VAL  46          3HG2      VAL  46  -3.747  -1.624  -4.500
  377    H    ASN  47           H        ASN  47  -8.529  -1.187  -6.481
  378    HA   ASN  47           HA       ASN  47  -9.919  -1.870  -8.070
  379   1HB   ASN  47          1HB       ASN  47  -9.072  -2.496 -10.224
  380   2HB   ASN  47          2HB       ASN  47  -8.153  -1.178  -9.587
  381   1HD2  ASN  47          1HD2      ASN  47  -5.946  -1.379  -9.490
  382   2HD2  ASN  47          2HD2      ASN  47  -5.098  -2.818  -9.939
  383    H    ASP  48           H        ASP  48  -7.515  -4.348  -7.758
  384    HA   ASP  48           HA       ASP  48  -9.374  -6.297  -6.759
  385   1HB   ASP  48          1HB       ASP  48  -9.911  -6.375  -9.200
  386   2HB   ASP  48          2HB       ASP  48  -8.230  -6.806  -9.518
  387    H    ARG  49           H        ARG  49  -6.324  -5.095  -7.243
  388    HA   ARG  49           HA       ARG  49  -4.936  -7.620  -6.786
  389   1HB   ARG  49          1HB       ARG  49  -3.878  -4.827  -7.266
  390   2HB   ARG  49          2HB       ARG  49  -2.875  -6.251  -7.042
  391   1HG   ARG  49          1HG       ARG  49  -4.828  -5.822  -9.304
  392   2HG   ARG  49          2HG       ARG  49  -3.080  -5.642  -9.396
  393   1HD   ARG  49          1HD       ARG  49  -3.394  -7.758 -10.247
  394   2HD   ARG  49          2HD       ARG  49  -3.033  -8.091  -8.555
  395    HE   ARG  49           HE       ARG  49  -5.842  -7.926  -9.414
  396   1HH1  ARG  49          1HH1      ARG  49  -3.122  -9.802  -8.273
  397   2HH1  ARG  49          2HH1      ARG  49  -4.077 -11.196  -7.862
  398   1HH2  ARG  49          1HH2      ARG  49  -7.133  -9.764  -8.855
  399   2HH2  ARG  49          2HH2      ARG  49  -6.350 -11.175  -8.192
  400    H    GLN  50           H        GLN  50  -4.432  -8.279  -4.831
  401    HA   GLN  50           HA       GLN  50  -4.505  -6.350  -2.611
  402   1HB   GLN  50          1HB       GLN  50  -4.829  -9.355  -2.665
  403   2HB   GLN  50          2HB       GLN  50  -4.690  -8.421  -1.182
  404   1HG   GLN  50          1HG       GLN  50  -6.721  -7.230  -1.700
  405   2HG   GLN  50          2HG       GLN  50  -6.842  -8.060  -3.249
  406   1HE2  GLN  50          1HE2      GLN  50  -5.814  -9.619  -0.281
  407   2HE2  GLN  50          2HE2      GLN  50  -7.214 -10.628  -0.119
  408    H    GLY  51           H        GLY  51  -2.634  -5.824  -1.668
  409   1HA   GLY  51          1HA       GLY  51  -0.567  -7.576  -1.187
  410   2HA   GLY  51          2HA       GLY  51  -0.110  -6.788  -2.628
  411    H    PHE  52           H        PHE  52   1.713  -6.136  -1.238
  412    HA   PHE  52           HA       PHE  52   1.040  -4.182   0.826
  413   1HB   PHE  52          1HB       PHE  52   3.539  -5.734   0.205
  414   2HB   PHE  52          2HB       PHE  52   3.478  -4.454   1.418
  415    HD1  PHE  52           HD1      PHE  52   2.809  -4.917   3.579
  416    HD2  PHE  52           HD2      PHE  52   1.904  -7.686   0.465
  417    HE1  PHE  52           HE1      PHE  52   2.016  -6.540   5.253
  418    HE2  PHE  52           HE2      PHE  52   1.119  -9.312   2.147
  419    HZ   PHE  52           HZ       PHE  52   1.181  -8.740   4.537
  420    H    VAL  53           H        VAL  53   1.897  -2.205   0.982
  421    HA   VAL  53           HA       VAL  53   3.601  -1.144  -1.146
  422    HB   VAL  53           HB       VAL  53   2.301   0.890  -1.339
  423   1HG1  VAL  53          1HG1      VAL  53   0.488  -1.470  -1.659
  424   2HG1  VAL  53          2HG1      VAL  53   1.716  -0.960  -2.820
  425   3HG1  VAL  53          3HG1      VAL  53   0.334   0.085  -2.479
  426   1HG2  VAL  53          1HG2      VAL  53   0.016   1.006  -0.282
  427   2HG2  VAL  53          2HG2      VAL  53   1.382   1.159   0.826
  428   3HG2  VAL  53          3HG2      VAL  53   0.501  -0.366   0.718
  429    HA   PRO  54           HA       PRO  54   5.758   0.802   2.198
  430   1HB   PRO  54          1HB       PRO  54   5.599   3.339   0.654
  431   2HB   PRO  54          2HB       PRO  54   7.029   2.510   1.287
  432   1HG   PRO  54          1HG       PRO  54   6.493   2.450  -1.308
  433   2HG   PRO  54          2HG       PRO  54   7.065   0.984  -0.485
  434   1HD   PRO  54          1HD       PRO  54   4.282   1.731  -1.315
  435   2HD   PRO  54          2HD       PRO  54   5.108   0.163  -1.441
  436    H    ALA  55           H        ALA  55   4.855   1.445   4.074
  437    HA   ALA  55           HA       ALA  55   2.290   2.609   4.279
  438   1HB   ALA  55          1HB       ALA  55   2.930   2.987   6.667
  439   2HB   ALA  55          2HB       ALA  55   4.539   2.386   6.266
  440   3HB   ALA  55          3HB       ALA  55   3.133   1.328   6.104
  441    H    ALA  56           H        ALA  56   5.470   3.959   3.945
  442    HA   ALA  56           HA       ALA  56   4.815   6.613   4.798
  443   1HB   ALA  56          1HB       ALA  56   7.007   7.194   4.162
  444   2HB   ALA  56          2HB       ALA  56   7.123   5.846   3.028
  445   3HB   ALA  56          3HB       ALA  56   7.121   5.542   4.770
  446    H    TYR  57           H        TYR  57   3.993   4.844   2.114
  447    HA   TYR  57           HA       TYR  57   3.935   7.187   0.309
  448   1HB   TYR  57          1HB       TYR  57   3.742   4.220  -0.166
  449   2HB   TYR  57          2HB       TYR  57   3.128   5.363  -1.362
  450    HD1  TYR  57           HD1      TYR  57   4.557   5.436  -3.160
  451    HD2  TYR  57           HD2      TYR  57   6.215   5.332   0.764
  452    HE1  TYR  57           HE1      TYR  57   6.807   5.649  -4.111
  453    HE2  TYR  57           HE2      TYR  57   8.462   5.570  -0.172
  454    HH   TYR  57           HH       TYR  57   9.683   5.389  -2.084
  455    H    VAL  58           H        VAL  58   2.107   5.849   2.577
  456    HA   VAL  58           HA       VAL  58  -0.381   6.592   1.241
  457    HB   VAL  58           HB       VAL  58   0.406   3.988   2.017
  458   1HG1  VAL  58          1HG1      VAL  58  -1.797   5.117   3.698
  459   2HG1  VAL  58          2HG1      VAL  58  -0.358   4.231   4.212
  460   3HG1  VAL  58          3HG1      VAL  58  -1.651   3.396   3.349
  461   1HG2  VAL  58          1HG2      VAL  58  -1.705   3.345   0.996
  462   2HG2  VAL  58          2HG2      VAL  58  -0.855   4.553   0.031
  463   3HG2  VAL  58          3HG2      VAL  58  -2.233   5.029   1.026
  464    H    LYS  59           H        LYS  59  -1.998   7.426   2.618
  465    HA   LYS  59           HA       LYS  59  -1.200   7.960   5.394
  466   1HB   LYS  59          1HB       LYS  59  -0.803  10.130   4.807
  467   2HB   LYS  59          2HB       LYS  59  -1.524   9.897   3.223
  468   1HG   LYS  59          1HG       LYS  59  -3.489  10.046   5.377
  469   2HG   LYS  59          2HG       LYS  59  -2.503  11.500   5.204
  470   1HD   LYS  59          1HD       LYS  59  -3.169  11.803   2.958
  471   2HD   LYS  59          2HD       LYS  59  -3.841  10.175   2.857
  472   1HE   LYS  59          1HE       LYS  59  -5.691  11.637   3.032
  473   2HE   LYS  59          2HE       LYS  59  -5.509  10.888   4.617
  474   1HZ   LYS  59          1HZ       LYS  59  -5.873  13.164   4.992
  475   2HZ   LYS  59          2HZ       LYS  59  -4.758  13.637   3.803
  476   3HZ   LYS  59          3HZ       LYS  59  -4.208  12.937   5.244
  477    H    LYS  60           H        LYS  60  -2.789   7.833   6.852
  478    HA   LYS  60           HA       LYS  60  -5.211   6.539   6.270
  479   1HB   LYS  60          1HB       LYS  60  -4.024   7.738   8.666
  480   2HB   LYS  60          2HB       LYS  60  -5.737   8.061   8.571
  481   1HG   LYS  60          1HG       LYS  60  -5.300   6.124   9.930
  482   2HG   LYS  60          2HG       LYS  60  -6.209   5.665   8.496
  483   1HD   LYS  60          1HD       LYS  60  -4.460   4.512   7.606
  484   2HD   LYS  60          2HD       LYS  60  -3.246   5.487   8.414
  485   1HE   LYS  60          1HE       LYS  60  -3.312   3.232   9.365
  486   2HE   LYS  60          2HE       LYS  60  -3.855   4.406  10.543
  487   1HZ   LYS  60          1HZ       LYS  60  -5.988   3.315   8.945
  488   2HZ   LYS  60          2HZ       LYS  60  -5.885   3.536  10.625
  489   3HZ   LYS  60          3HZ       LYS  60  -5.191   2.164   9.909
  490    H    LEU  61           H        LEU  61  -7.051   7.254   5.415
  491    HA   LEU  61           HA       LEU  61  -7.262  10.018   4.668
  492   1HB   LEU  61          1HB       LEU  61  -9.012   7.615   4.298
  493   2HB   LEU  61          2HB       LEU  61  -9.628   9.217   3.942
  494    HG   LEU  61           HG       LEU  61  -7.134   8.095   2.673
  495   1HD1  LEU  61          1HD1      LEU  61  -9.060   6.696   2.127
  496   2HD1  LEU  61          2HD1      LEU  61  -8.499   7.611   0.727
  497   3HD1  LEU  61          3HD1      LEU  61  -9.943   8.127   1.597
  498   1HD2  LEU  61          1HD2      LEU  61  -8.749  10.575   2.371
  499   2HD2  LEU  61          2HD2      LEU  61  -8.020   9.871   0.931
  500   3HD2  LEU  61          3HD2      LEU  61  -7.001  10.349   2.286
  501    H    ASP  62           H        ASP  62  -8.349   8.057   7.256
  502    HA   ASP  62           HA       ASP  62  -9.436  10.401   8.571
  503   1HB   ASP  62          1HB       ASP  62 -11.358   9.334   7.318
  504   2HB   ASP  62          2HB       ASP  62 -11.151   7.919   8.349
  505   1H    ACE   0          1H        ACE   0   4.883 -12.242   2.568
  506   2H    ACE   0          2H        ACE   0   4.038 -11.553   1.185
  507   3H    ACE   0          3H        ACE   0   3.190 -11.686   2.724
  508    H    ALA   1           H        ALA   1   4.436 -10.592   4.586
  509    HA   ALA   1           HA       ALA   1   4.746  -7.832   3.837
  510   1HB   ALA   1          1HB       ALA   1   5.023  -7.447   6.246
  511   2HB   ALA   1          2HB       ALA   1   5.054  -9.191   6.511
  512   3HB   ALA   1          3HB       ALA   1   3.594  -8.417   5.893
  513    HA   PRO   2           HA       PRO   2   9.153  -8.265   3.158
  514   1HB   PRO   2          1HB       PRO   2   9.008  -5.332   2.886
  515   2HB   PRO   2          2HB       PRO   2   9.555  -6.540   1.720
  516   1HG   PRO   2          1HG       PRO   2   7.238  -5.242   1.388
  517   2HG   PRO   2          2HG       PRO   2   7.415  -6.951   0.939
  518   1HD   PRO   2          1HD       PRO   2   6.162  -5.752   3.385
  519   2HD   PRO   2          2HD       PRO   2   5.589  -7.095   2.372
  520    H    SER   3           H        SER   3  10.651  -8.367   4.698
  521    HA   SER   3           HA       SER   3  10.334  -6.729   7.097
  522   1HB   SER   3          1HB       SER   3  12.415  -8.867   6.783
  523   2HB   SER   3          2HB       SER   3  11.555  -8.354   8.236
  524    HG   SER   3           HG       SER   3   9.646  -9.287   7.306
  525    H    TYR   4           H        TYR   4  11.092  -5.021   5.267
  526    HA   TYR   4           HA       TYR   4  13.722  -4.238   6.095
  527   1HB   TYR   4          1HB       TYR   4  14.621  -4.001   3.771
  528   2HB   TYR   4          2HB       TYR   4  14.433  -5.667   4.301
  529    HD1  TYR   4           HD1      TYR   4  12.865  -3.024   2.213
  530    HD2  TYR   4           HD2      TYR   4  13.144  -7.182   3.059
  531    HE1  TYR   4           HE1      TYR   4  11.576  -3.519   0.180
  532    HE2  TYR   4           HE2      TYR   4  11.853  -7.687   1.032
  533    HH   TYR   4           HH       TYR   4  10.509  -6.785  -0.568
  534    H    SER   5           H        SER   5  14.329  -2.113   4.908
  535    HA   SER   5           HA       SER   5  12.060  -0.370   5.233
  536   1HB   SER   5          1HB       SER   5  14.835   0.405   4.333
  537   2HB   SER   5          2HB       SER   5  13.640   1.406   5.154
  538    HG   SER   5           HG       SER   5  13.850  -0.214   6.922
  539    HA   PRO   6           HA       PRO   6  11.021  -0.267   0.897
  540   1HB   PRO   6          1HB       PRO   6   9.160   1.687   1.041
  541   2HB   PRO   6          2HB       PRO   6   8.860   0.056   1.649
  542   1HG   PRO   6          1HG       PRO   6   9.628   2.528   3.152
  543   2HG   PRO   6          2HG       PRO   6   8.417   1.298   3.564
  544   1HD   PRO   6          1HD       PRO   6  10.904   1.358   4.663
  545   2HD   PRO   6          2HD       PRO   6   9.991  -0.144   4.417
  546    HA   PRO   7           HA       PRO   7  13.243   3.012  -1.101
  547   1HB   PRO   7          1HB       PRO   7  11.384   3.962  -2.927
  548   2HB   PRO   7          2HB       PRO   7  12.412   2.547  -3.171
  549   1HG   PRO   7          1HG       PRO   7   9.566   2.689  -2.267
  550   2HG   PRO   7          2HG       PRO   7  10.337   1.536  -3.374
  551   1HD   PRO   7          1HD       PRO   7   9.788   0.872  -0.845
  552   2HD   PRO   7          2HD       PRO   7  11.271   0.307  -1.643
  553    HA   PRO   8           HA       PRO   8  12.292   6.662   1.223
  554   1HB   PRO   8          1HB       PRO   8  13.733   8.419  -0.369
  555   2HB   PRO   8          2HB       PRO   8  14.402   7.452   0.949
  556   1HG   PRO   8          1HG       PRO   8  14.427   6.930  -1.993
  557   2HG   PRO   8          2HG       PRO   8  15.699   6.644  -0.790
  558   1HD   PRO   8          1HD       PRO   8  14.202   4.639  -1.737
  559   2HD   PRO   8          2HD       PRO   8  14.711   4.681  -0.035
  560    HA   PRO   9           HA       PRO   9   8.803   8.177  -1.134
  561   1HB   PRO   9          1HB       PRO   9   8.452   9.942   1.194
  562   2HB   PRO   9          2HB       PRO   9   7.360   8.720   0.539
  563   1HG   PRO   9          1HG       PRO   9   8.660   8.356   2.858
  564   2HG   PRO   9          2HG       PRO   9   8.335   7.011   1.748
  565   1HD   PRO   9          1HD       PRO   9  10.866   8.555   2.171
  566   2HD   PRO   9          2HD       PRO   9  10.635   6.807   1.943
  567    HA   PRO  10           HA       PRO  10  10.911  11.707  -2.929
  568   1HB   PRO  10          1HB       PRO  10   8.292  11.965  -4.309
  569   2HB   PRO  10          2HB       PRO  10   9.921  11.886  -4.989
  570   1HG   PRO  10          1HG       PRO  10   8.289   9.793  -5.155
  571   2HG   PRO  10          2HG       PRO  10  10.019   9.573  -4.831
  572   1HD   PRO  10          1HD       PRO  10   7.706   9.448  -2.936
  573   2HD   PRO  10          2HD       PRO  10   9.154   8.424  -3.016
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1 -10.059  -9.099  -1.925
    2   2H    MET   1          2H        MET   1 -10.258  -7.670  -2.811
    3   3H    MET   1          3H        MET   1  -9.945  -9.128  -3.616
    4    HA   MET   1           HA       MET   1 -12.188  -8.886  -3.936
    5   1HB   MET   1          1HB       MET   1 -11.621 -10.551  -1.500
    6   2HB   MET   1          2HB       MET   1 -13.260 -10.403  -2.115
    7   1HG   MET   1          1HG       MET   1 -10.939 -11.336  -3.776
    8   2HG   MET   1          2HG       MET   1 -12.008 -12.417  -2.884
    9   1HE   MET   1          1HE       MET   1 -12.757 -13.795  -4.998
   10   2HE   MET   1          2HE       MET   1 -11.566 -12.868  -5.910
   11   3HE   MET   1          3HE       MET   1 -13.209 -13.048  -6.529
   12    H    ASP   2           H        ASP   2 -11.705  -6.417  -3.002
   13    HA   ASP   2           HA       ASP   2 -14.004  -5.985  -1.228
   14   1HB   ASP   2          1HB       ASP   2 -11.610  -5.795  -0.088
   15   2HB   ASP   2          2HB       ASP   2 -11.626  -4.208  -0.855
   16    H    GLU   3           H        GLU   3 -14.649  -3.650  -1.235
   17    HA   GLU   3           HA       GLU   3 -14.054  -2.382  -3.838
   18   1HB   GLU   3          1HB       GLU   3 -16.324  -3.698  -3.649
   19   2HB   GLU   3          2HB       GLU   3 -16.836  -2.296  -2.702
   20   1HG   GLU   3          1HG       GLU   3 -16.786  -0.896  -4.507
   21   2HG   GLU   3          2HG       GLU   3 -15.579  -1.857  -5.360
   22    H    THR   4           H        THR   4 -12.692  -1.624  -1.745
   23    HA   THR   4           HA       THR   4 -12.143   0.010  -0.266
   24    HB   THR   4           HB       THR   4 -12.778   2.343  -0.925
   25    HG1  THR   4           HG1      THR   4 -14.685   1.048  -2.325
   26   1HG2  THR   4          1HG2      THR   4 -11.589   2.358  -3.075
   27   2HG2  THR   4          2HG2      THR   4 -11.746   0.605  -3.170
   28   3HG2  THR   4          3HG2      THR   4 -10.778   1.339  -1.888
   29    H    GLY   5           H        GLY   5 -14.266  -1.549   0.623
   30   1HA   GLY   5          1HA       GLY   5 -16.086   0.403   1.887
   31   2HA   GLY   5          2HA       GLY   5 -16.430  -1.307   1.677
   32    H    LYS   6           H        LYS   6 -13.920   0.714   3.152
   33    HA   LYS   6           HA       LYS   6 -14.292   0.129   5.795
   34   1HB   LYS   6          1HB       LYS   6 -12.620  -1.578   6.311
   35   2HB   LYS   6          2HB       LYS   6 -13.888  -2.228   5.284
   36   1HG   LYS   6          1HG       LYS   6 -12.350  -1.866   3.333
   37   2HG   LYS   6          2HG       LYS   6 -11.093  -1.484   4.512
   38   1HD   LYS   6          1HD       LYS   6 -11.368  -3.922   3.560
   39   2HD   LYS   6          2HD       LYS   6 -10.911  -3.641   5.239
   40   1HE   LYS   6          1HE       LYS   6 -12.626  -5.355   5.124
   41   2HE   LYS   6          2HE       LYS   6 -13.265  -3.916   5.914
   42   1HZ   LYS   6          1HZ       LYS   6 -14.751  -5.013   4.229
   43   2HZ   LYS   6          2HZ       LYS   6 -13.681  -4.478   3.029
   44   3HZ   LYS   6          3HZ       LYS   6 -14.499  -3.352   4.004
   45    H    GLU   7           H        GLU   7 -11.508  -0.276   6.457
   46    HA   GLU   7           HA       GLU   7 -10.554   2.273   6.699
   47   1HB   GLU   7          1HB       GLU   7  -9.564  -0.331   7.153
   48   2HB   GLU   7          2HB       GLU   7  -8.320   0.526   6.263
   49   1HG   GLU   7          1HG       GLU   7  -9.384   1.023   8.984
   50   2HG   GLU   7          2HG       GLU   7  -7.725   0.996   8.407
   51    H    LEU   8           H        LEU   8 -10.057   3.759   5.231
   52    HA   LEU   8           HA       LEU   8  -8.897   2.846   2.688
   53   1HB   LEU   8          1HB       LEU   8 -10.643   5.228   3.249
   54   2HB   LEU   8          2HB       LEU   8  -9.821   4.951   1.722
   55    HG   LEU   8           HG       LEU   8 -11.786   3.049   2.951
   56   1HD1  LEU   8          1HD1      LEU   8 -13.358   3.813   1.194
   57   2HD1  LEU   8          2HD1      LEU   8 -12.224   5.095   0.776
   58   3HD1  LEU   8          3HD1      LEU   8 -12.979   5.071   2.371
   59   1HD2  LEU   8          1HD2      LEU   8 -10.495   3.134   0.241
   60   2HD2  LEU   8          2HD2      LEU   8 -11.824   2.066   0.681
   61   3HD2  LEU   8          3HD2      LEU   8 -10.270   1.917   1.499
   62    H    VAL   9           H        VAL   9  -7.299   3.925   1.768
   63    HA   VAL   9           HA       VAL   9  -5.962   6.015   3.345
   64    HB   VAL   9           HB       VAL   9  -3.771   4.943   2.464
   65   1HG1  VAL   9          1HG1      VAL   9  -3.638   3.504   4.474
   66   2HG1  VAL   9          2HG1      VAL   9  -5.363   3.784   4.732
   67   3HG1  VAL   9          3HG1      VAL   9  -4.227   5.136   4.787
   68   1HG2  VAL   9          1HG2      VAL   9  -5.622   2.570   2.406
   69   2HG2  VAL   9          2HG2      VAL   9  -3.861   2.495   2.325
   70   3HG2  VAL   9          3HG2      VAL   9  -4.772   3.281   1.035
   71    H    LEU  10           H        LEU  10  -4.460   7.274   2.154
   72    HA   LEU  10           HA       LEU  10  -5.217   7.526  -0.683
   73   1HB   LEU  10          1HB       LEU  10  -5.822   9.462   0.678
   74   2HB   LEU  10          2HB       LEU  10  -4.170   9.598   1.249
   75    HG   LEU  10           HG       LEU  10  -3.643   9.840  -1.325
   76   1HD1  LEU  10          1HD1      LEU  10  -5.567  11.289  -2.261
   77   2HD1  LEU  10          2HD1      LEU  10  -6.564  10.435  -1.084
   78   3HD1  LEU  10          3HD1      LEU  10  -5.704   9.530  -2.332
   79   1HD2  LEU  10          1HD2      LEU  10  -3.769  12.257  -1.054
   80   2HD2  LEU  10          2HD2      LEU  10  -3.156  11.488   0.409
   81   3HD2  LEU  10          3HD2      LEU  10  -4.826  12.052   0.342
   82    H    ALA  11           H        ALA  11  -3.654   7.402  -2.210
   83    HA   ALA  11           HA       ALA  11  -1.002   6.646  -1.344
   84   1HB   ALA  11          1HB       ALA  11  -1.711   7.058  -4.221
   85   2HB   ALA  11          2HB       ALA  11  -2.398   5.689  -3.338
   86   3HB   ALA  11          3HB       ALA  11  -0.649   5.855  -3.483
   87    H    LEU  12           H        LEU  12   0.345   8.214  -0.777
   88    HA   LEU  12           HA       LEU  12   0.175  10.887  -1.691
   89   1HB   LEU  12          1HB       LEU  12   2.149   9.348  -0.041
   90   2HB   LEU  12          2HB       LEU  12   2.480  11.005  -0.535
   91    HG   LEU  12           HG       LEU  12   0.319  11.664   0.553
   92   1HD1  LEU  12          1HD1      LEU  12   0.448   8.847   1.570
   93   2HD1  LEU  12          2HD1      LEU  12  -0.840   9.603   0.629
   94   3HD1  LEU  12          3HD1      LEU  12  -0.540  10.119   2.290
   95   1HD2  LEU  12          1HD2      LEU  12   1.252  11.581   2.846
   96   2HD2  LEU  12          2HD2      LEU  12   2.454  12.075   1.649
   97   3HD2  LEU  12          3HD2      LEU  12   2.462  10.427   2.283
   98    H    TYR  13           H        TYR  13   2.038   8.109  -2.739
   99    HA   TYR  13           HA       TYR  13   3.075   9.718  -4.943
  100   1HB   TYR  13          1HB       TYR  13   5.030   7.837  -3.702
  101   2HB   TYR  13          2HB       TYR  13   5.321   9.312  -4.612
  102    HD1  TYR  13           HD1      TYR  13   5.256  11.497  -3.480
  103    HD2  TYR  13           HD2      TYR  13   4.763   7.867  -1.319
  104    HE1  TYR  13           HE1      TYR  13   5.676  12.698  -1.375
  105    HE2  TYR  13           HE2      TYR  13   5.174   9.059   0.789
  106    HH   TYR  13           HH       TYR  13   5.242  12.476   0.992
  107    H    ASP  14           H        ASP  14   4.100   8.303  -6.603
  108    HA   ASP  14           HA       ASP  14   2.441   6.023  -7.083
  109   1HB   ASP  14          1HB       ASP  14   3.638   5.876  -9.238
  110   2HB   ASP  14          2HB       ASP  14   3.076   7.522  -8.945
  111    H    TYR  15           H        TYR  15   3.067   3.938  -7.077
  112    HA   TYR  15           HA       TYR  15   5.802   3.289  -6.289
  113   1HB   TYR  15          1HB       TYR  15   4.623   3.459  -4.168
  114   2HB   TYR  15          2HB       TYR  15   3.361   2.374  -4.750
  115    HD1  TYR  15           HD1      TYR  15   3.518   0.114  -4.236
  116    HD2  TYR  15           HD2      TYR  15   7.054   2.480  -4.267
  117    HE1  TYR  15           HE1      TYR  15   4.821  -1.821  -3.443
  118    HE2  TYR  15           HE2      TYR  15   8.353   0.560  -3.478
  119    HH   TYR  15           HH       TYR  15   7.100  -2.615  -3.393
  120    H    GLN  16           H        GLN  16   6.483   1.257  -6.949
  121    HA   GLN  16           HA       GLN  16   4.541  -0.242  -8.581
  122   1HB   GLN  16          1HB       GLN  16   6.981   0.916  -9.363
  123   2HB   GLN  16          2HB       GLN  16   7.288  -0.811  -9.261
  124   1HG   GLN  16          1HG       GLN  16   6.587  -0.683 -11.413
  125   2HG   GLN  16          2HG       GLN  16   5.036  -0.945 -10.624
  126   1HE2  GLN  16          1HE2      GLN  16   4.858   1.730  -9.546
  127   2HE2  GLN  16          2HE2      GLN  16   4.523   2.790 -10.875
  128    H    GLU  17           H        GLU  17   4.346  -2.378  -8.228
  129    HA   GLU  17           HA       GLU  17   5.181  -3.508  -5.802
  130   1HB   GLU  17          1HB       GLU  17   4.343  -5.645  -6.812
  131   2HB   GLU  17          2HB       GLU  17   3.204  -4.306  -6.886
  132   1HG   GLU  17          1HG       GLU  17   4.186  -3.912  -9.244
  133   2HG   GLU  17          2HG       GLU  17   4.783  -5.563  -9.086
  134    H    LYS  18           H        LYS  18   6.948  -4.652  -5.186
  135    HA   LYS  18           HA       LYS  18   8.959  -5.199  -7.273
  136   1HB   LYS  18          1HB       LYS  18   9.333  -5.122  -4.272
  137   2HB   LYS  18          2HB       LYS  18  10.601  -5.337  -5.475
  138   1HG   LYS  18          1HG       LYS  18  10.172  -3.074  -6.335
  139   2HG   LYS  18          2HG       LYS  18   8.892  -2.862  -5.141
  140   1HD   LYS  18          1HD       LYS  18  11.666  -3.574  -4.243
  141   2HD   LYS  18          2HD       LYS  18  11.285  -1.914  -4.688
  142   1HE   LYS  18          1HE       LYS  18  11.041  -2.239  -2.286
  143   2HE   LYS  18          2HE       LYS  18   9.485  -1.875  -3.028
  144   1HZ   LYS  18          1HZ       LYS  18   9.389  -3.671  -1.377
  145   2HZ   LYS  18          2HZ       LYS  18  10.406  -4.615  -2.340
  146   3HZ   LYS  18          3HZ       LYS  18   8.868  -4.168  -2.909
  147    H    SER  19           H        SER  19   6.825  -6.768  -5.063
  148    HA   SER  19           HA       SER  19   7.975  -9.346  -5.861
  149   1HB   SER  19          1HB       SER  19   7.738 -10.211  -3.602
  150   2HB   SER  19          2HB       SER  19   8.715  -8.737  -3.544
  151    HG   SER  19           HG       SER  19   7.115  -7.679  -2.565
  152    HA   PRO  20           HA       PRO  20   3.812 -10.717  -6.627
  153   1HB   PRO  20          1HB       PRO  20   4.231 -13.015  -4.789
  154   2HB   PRO  20          2HB       PRO  20   3.793 -13.019  -6.504
  155   1HG   PRO  20          1HG       PRO  20   6.228 -13.714  -5.777
  156   2HG   PRO  20          2HG       PRO  20   6.008 -12.641  -7.176
  157   1HD   PRO  20          1HD       PRO  20   6.722 -11.926  -4.347
  158   2HD   PRO  20          2HD       PRO  20   7.499 -11.395  -5.857
  159    H    ALA  21           H        ALA  21   4.859 -10.058  -3.466
  160    HA   ALA  21           HA       ALA  21   2.134 -10.198  -2.385
  161   1HB   ALA  21          1HB       ALA  21   3.234  -9.976  -0.165
  162   2HB   ALA  21          2HB       ALA  21   4.799 -10.026  -0.979
  163   3HB   ALA  21          3HB       ALA  21   3.726 -11.425  -1.047
  164    H    GLU  22           H        GLU  22   3.408  -8.195  -4.197
  165    HA   GLU  22           HA       GLU  22   2.899  -5.811  -2.554
  166   1HB   GLU  22          1HB       GLU  22   5.218  -6.463  -4.241
  167   2HB   GLU  22          2HB       GLU  22   4.534  -4.868  -4.522
  168   1HG   GLU  22          1HG       GLU  22   5.061  -4.119  -2.446
  169   2HG   GLU  22          2HG       GLU  22   5.062  -5.728  -1.726
  170    H    VAL  23           H        VAL  23   2.021  -3.988  -3.714
  171    HA   VAL  23           HA       VAL  23   0.849  -4.683  -6.317
  172    HB   VAL  23           HB       VAL  23  -1.187  -3.261  -5.525
  173   1HG1  VAL  23          1HG1      VAL  23  -0.702  -6.093  -4.670
  174   2HG1  VAL  23          2HG1      VAL  23  -1.463  -5.524  -6.158
  175   3HG1  VAL  23          3HG1      VAL  23  -2.277  -5.303  -4.611
  176   1HG2  VAL  23          1HG2      VAL  23  -1.181  -2.566  -3.427
  177   2HG2  VAL  23          2HG2      VAL  23   0.299  -3.460  -3.095
  178   3HG2  VAL  23          3HG2      VAL  23  -1.263  -4.248  -2.904
  179    H    THR  24           H        THR  24   0.396  -2.945  -7.691
  180    HA   THR  24           HA       THR  24   2.175  -0.684  -7.266
  181    HB   THR  24           HB       THR  24   0.580  -1.554  -9.685
  182    HG1  THR  24           HG1      THR  24   2.237  -2.943  -9.565
  183   1HG2  THR  24          1HG2      THR  24   0.966   0.899  -9.636
  184   2HG2  THR  24          2HG2      THR  24   1.821   0.093 -10.953
  185   3HG2  THR  24          3HG2      THR  24   2.697   0.592  -9.505
  186    H    MET  25           H        MET  25   1.521   1.316  -6.770
  187    HA   MET  25           HA       MET  25  -1.351   1.949  -6.958
  188   1HB   MET  25          1HB       MET  25  -1.241   3.197  -4.879
  189   2HB   MET  25          2HB       MET  25  -0.695   1.542  -4.596
  190   1HG   MET  25          1HG       MET  25   1.548   2.201  -4.403
  191   2HG   MET  25          2HG       MET  25   1.229   3.782  -5.126
  192   1HE   MET  25          1HE       MET  25  -1.446   2.537  -2.704
  193   2HE   MET  25          2HE       MET  25  -0.791   2.881  -1.104
  194   3HE   MET  25          3HE       MET  25  -0.102   1.581  -2.077
  195    H    LYS  26           H        LYS  26  -1.730   4.369  -6.914
  196    HA   LYS  26           HA       LYS  26   0.469   5.812  -8.144
  197   1HB   LYS  26          1HB       LYS  26  -2.265   6.180  -9.310
  198   2HB   LYS  26          2HB       LYS  26  -0.713   6.557 -10.044
  199   1HG   LYS  26          1HG       LYS  26  -1.203   4.707 -11.244
  200   2HG   LYS  26          2HG       LYS  26  -0.477   3.892  -9.849
  201   1HD   LYS  26          1HD       LYS  26  -2.917   4.131  -8.919
  202   2HD   LYS  26          2HD       LYS  26  -3.325   4.149 -10.631
  203   1HE   LYS  26          1HE       LYS  26  -2.251   2.009 -10.947
  204   2HE   LYS  26          2HE       LYS  26  -1.689   2.011  -9.274
  205   1HZ   LYS  26          1HZ       LYS  26  -4.441   1.665 -10.290
  206   2HZ   LYS  26          2HZ       LYS  26  -4.166   2.181  -8.697
  207   3HZ   LYS  26          3HZ       LYS  26  -3.572   0.676  -9.222
  208    H    LYS  27           H        LYS  27   0.327   8.111  -7.940
  209    HA   LYS  27           HA       LYS  27  -0.738   8.981  -5.491
  210   1HB   LYS  27          1HB       LYS  27   1.051  10.263  -6.284
  211   2HB   LYS  27          2HB       LYS  27   0.387  10.374  -7.906
  212   1HG   LYS  27          1HG       LYS  27  -0.112  12.464  -7.300
  213   2HG   LYS  27          2HG       LYS  27  -1.499  11.712  -6.508
  214   1HD   LYS  27          1HD       LYS  27  -0.776  12.552  -4.582
  215   2HD   LYS  27          2HD       LYS  27   0.635  11.499  -4.701
  216   1HE   LYS  27          1HE       LYS  27   1.562  13.379  -6.252
  217   2HE   LYS  27          2HE       LYS  27   0.343  14.378  -5.461
  218   1HZ   LYS  27          1HZ       LYS  27   2.411  14.582  -4.301
  219   2HZ   LYS  27          2HZ       LYS  27   2.554  12.900  -4.146
  220   3HZ   LYS  27          3HZ       LYS  27   1.329  13.725  -3.311
  221    H    GLY  28           H        GLY  28  -2.735   9.557  -4.926
  222   1HA   GLY  28          1HA       GLY  28  -4.791  10.783  -5.281
  223   2HA   GLY  28          2HA       GLY  28  -4.557  10.575  -7.015
  224    H    ASP  29           H        ASP  29  -3.826   7.683  -5.685
  225    HA   ASP  29           HA       ASP  29  -6.405   6.567  -6.449
  226   1HB   ASP  29          1HB       ASP  29  -3.749   5.708  -6.729
  227   2HB   ASP  29          2HB       ASP  29  -4.441   4.645  -5.502
  228    H    ILE  30           H        ILE  30  -7.805   5.629  -5.039
  229    HA   ILE  30           HA       ILE  30  -7.174   5.941  -2.205
  230    HB   ILE  30           HB       ILE  30  -9.739   5.636  -3.733
  231   1HG1  ILE  30          1HG1      ILE  30 -10.430   7.562  -2.442
  232   2HG1  ILE  30          2HG1      ILE  30  -9.024   7.429  -1.396
  233   1HG2  ILE  30          1HG2      ILE  30  -9.522   5.140  -0.768
  234   2HG2  ILE  30          2HG2      ILE  30  -9.815   3.899  -1.986
  235   3HG2  ILE  30          3HG2      ILE  30 -11.002   5.177  -1.725
  236   1HD1  ILE  30          1HD1      ILE  30  -8.686   9.242  -2.902
  237   2HD1  ILE  30          2HD1      ILE  30  -9.079   8.235  -4.293
  238   3HD1  ILE  30          3HD1      ILE  30  -7.598   7.938  -3.382
  239    H    LEU  31           H        LEU  31  -6.288   4.314  -1.222
  240    HA   LEU  31           HA       LEU  31  -6.621   1.609  -2.285
  241   1HB   LEU  31          1HB       LEU  31  -4.596   2.951  -0.557
  242   2HB   LEU  31          2HB       LEU  31  -4.789   1.219  -0.444
  243    HG   LEU  31           HG       LEU  31  -2.933   1.970  -1.928
  244   1HD1  LEU  31          1HD1      LEU  31  -5.120   0.380  -3.240
  245   2HD1  LEU  31          2HD1      LEU  31  -3.880  -0.242  -2.151
  246   3HD1  LEU  31          3HD1      LEU  31  -3.427   0.403  -3.727
  247   1HD2  LEU  31          1HD2      LEU  31  -5.190   2.966  -3.654
  248   2HD2  LEU  31          2HD2      LEU  31  -3.521   2.767  -4.188
  249   3HD2  LEU  31          3HD2      LEU  31  -3.907   3.930  -2.922
  250    H    THR  32           H        THR  32  -7.201  -0.106  -0.997
  251    HA   THR  32           HA       THR  32  -8.762   0.607   1.374
  252    HB   THR  32           HB       THR  32  -8.743  -2.108   0.070
  253    HG1  THR  32           HG1      THR  32  -9.336  -0.864  -1.631
  254   1HG2  THR  32          1HG2      THR  32 -10.344  -0.656   2.075
  255   2HG2  THR  32          2HG2      THR  32 -10.035  -2.392   1.906
  256   3HG2  THR  32          3HG2      THR  32 -11.269  -1.611   0.912
  257    H    LEU  33           H        LEU  33  -7.918   0.214   3.321
  258    HA   LEU  33           HA       LEU  33  -5.394  -1.132   3.558
  259   1HB   LEU  33          1HB       LEU  33  -7.086   0.512   5.244
  260   2HB   LEU  33          2HB       LEU  33  -6.398  -0.838   6.124
  261    HG   LEU  33           HG       LEU  33  -4.890   1.306   4.640
  262   1HD1  LEU  33          1HD1      LEU  33  -5.894   1.887   6.842
  263   2HD1  LEU  33          2HD1      LEU  33  -4.129   1.971   6.804
  264   3HD1  LEU  33          3HD1      LEU  33  -4.928   0.598   7.566
  265   1HD2  LEU  33          1HD2      LEU  33  -3.694  -0.776   4.370
  266   2HD2  LEU  33          2HD2      LEU  33  -3.863  -1.138   6.088
  267   3HD2  LEU  33          3HD2      LEU  33  -2.863   0.220   5.567
  268    H    LEU  34           H        LEU  34  -5.048  -3.189   3.900
  269    HA   LEU  34           HA       LEU  34  -7.292  -4.875   4.773
  270   1HB   LEU  34          1HB       LEU  34  -4.767  -5.747   3.368
  271   2HB   LEU  34          2HB       LEU  34  -6.212  -6.697   3.642
  272    HG   LEU  34           HG       LEU  34  -5.981  -4.318   1.800
  273   1HD1  LEU  34          1HD1      LEU  34  -6.342  -5.944   0.025
  274   2HD1  LEU  34          2HD1      LEU  34  -6.374  -7.248   1.215
  275   3HD1  LEU  34          3HD1      LEU  34  -4.892  -6.329   0.951
  276   1HD2  LEU  34          1HD2      LEU  34  -8.290  -5.077   1.092
  277   2HD2  LEU  34          2HD2      LEU  34  -8.184  -4.268   2.655
  278   3HD2  LEU  34          3HD2      LEU  34  -8.330  -6.025   2.577
  279    H    ASN  35           H        ASN  35  -3.881  -4.150   5.258
  280    HA   ASN  35           HA       ASN  35  -4.052  -5.068   7.998
  281   1HB   ASN  35          1HB       ASN  35  -3.412  -7.107   6.673
  282   2HB   ASN  35          2HB       ASN  35  -1.956  -6.254   6.169
  283   1HD2  ASN  35          1HD2      ASN  35  -3.547  -7.933   8.718
  284   2HD2  ASN  35          2HD2      ASN  35  -2.204  -7.969   9.821
  285    H    SER  36           H        SER  36  -2.873  -3.771   9.277
  286    HA   SER  36           HA       SER  36  -0.638  -2.283   8.090
  287   1HB   SER  36          1HB       SER  36  -1.446  -0.327   9.557
  288   2HB   SER  36          2HB       SER  36  -2.378  -0.673   8.091
  289    HG   SER  36           HG       SER  36  -3.073  -1.833  10.574
  290    H    THR  37           H        THR  37  -0.536  -4.667   9.710
  291    HA   THR  37           HA       THR  37   0.027  -3.912  12.415
  292    HB   THR  37           HB       THR  37  -0.738  -6.211  11.611
  293    HG1  THR  37           HG1      THR  37   0.478  -5.431  13.727
  294   1HG2  THR  37          1HG2      THR  37   2.224  -6.478  11.091
  295   2HG2  THR  37          2HG2      THR  37   0.929  -6.632   9.904
  296   3HG2  THR  37          3HG2      THR  37   1.090  -7.828  11.189
  297    H    ASN  38           H        ASN  38   1.688  -3.531   9.588
  298    HA   ASN  38           HA       ASN  38   4.321  -3.493  10.898
  299   1HB   ASN  38          1HB       ASN  38   4.007  -4.920   8.841
  300   2HB   ASN  38          2HB       ASN  38   3.650  -3.458   7.942
  301   1HD2  ASN  38          1HD2      ASN  38   5.721  -5.331   7.396
  302   2HD2  ASN  38          2HD2      ASN  38   7.234  -4.498   7.539
  303    H    LYS  39           H        LYS  39   5.586  -1.511  10.604
  304    HA   LYS  39           HA       LYS  39   3.818   0.788  10.136
  305   1HB   LYS  39          1HB       LYS  39   5.470   2.134  11.385
  306   2HB   LYS  39          2HB       LYS  39   4.763   0.844  12.341
  307   1HG   LYS  39          1HG       LYS  39   6.743  -0.147  12.676
  308   2HG   LYS  39          2HG       LYS  39   7.287   0.143  11.026
  309   1HD   LYS  39          1HD       LYS  39   7.151   2.290  13.123
  310   2HD   LYS  39          2HD       LYS  39   8.596   1.328  12.804
  311   1HE   LYS  39          1HE       LYS  39   8.185   2.087  10.331
  312   2HE   LYS  39          2HE       LYS  39   7.254   3.376  11.091
  313   1HZ   LYS  39          1HZ       LYS  39   9.623   3.921  10.636
  314   2HZ   LYS  39          2HZ       LYS  39  10.075   2.763  11.788
  315   3HZ   LYS  39          3HZ       LYS  39   9.163   4.119  12.257
  316    H    ASP  40           H        ASP  40   6.089  -0.948   8.529
  317    HA   ASP  40           HA       ASP  40   7.057   1.411   7.056
  318   1HB   ASP  40          1HB       ASP  40   8.180  -1.400   7.146
  319   2HB   ASP  40          2HB       ASP  40   8.826  -0.074   6.177
  320    H    TRP  41           H        TRP  41   5.360  -1.603   6.829
  321    HA   TRP  41           HA       TRP  41   4.690  -1.020   4.035
  322   1HB   TRP  41          1HB       TRP  41   5.387  -3.724   5.206
  323   2HB   TRP  41          2HB       TRP  41   4.734  -3.474   3.601
  324    HD1  TRP  41           HD1      TRP  41   7.943  -3.055   5.622
  325    HE1  TRP  41           HE1      TRP  41   9.908  -2.683   3.988
  326    HE3  TRP  41           HE3      TRP  41   5.299  -2.523   1.269
  327    HZ2  TRP  41           HZ2      TRP  41  10.273  -2.210   1.233
  328    HZ3  TRP  41           HZ3      TRP  41   6.530  -2.109  -0.812
  329    HH2  TRP  41           HH2      TRP  41   8.967  -1.954  -0.832
  330    H    TRP  42           H        TRP  42   2.570  -1.061   3.603
  331    HA   TRP  42           HA       TRP  42   0.772  -2.300   5.590
  332   1HB   TRP  42          1HB       TRP  42   0.541   0.305   4.091
  333   2HB   TRP  42          2HB       TRP  42  -0.909  -0.537   4.650
  334    HD1  TRP  42           HD1      TRP  42   1.697  -1.128   7.121
  335    HE1  TRP  42           HE1      TRP  42   1.461   0.443   9.134
  336    HE3  TRP  42           HE3      TRP  42  -1.560   2.249   5.144
  337    HZ2  TRP  42           HZ2      TRP  42   0.079   2.808   9.789
  338    HZ3  TRP  42           HZ3      TRP  42  -2.301   4.153   6.534
  339    HH2  TRP  42           HH2      TRP  42  -1.486   4.415   8.806
  340    H    LYS  43           H        LYS  43  -0.718  -3.725   4.818
  341    HA   LYS  43           HA       LYS  43  -0.564  -4.349   1.982
  342   1HB   LYS  43          1HB       LYS  43  -0.578  -6.212   3.637
  343   2HB   LYS  43          2HB       LYS  43  -2.199  -5.728   4.125
  344   1HG   LYS  43          1HG       LYS  43  -3.036  -6.169   1.871
  345   2HG   LYS  43          2HG       LYS  43  -1.417  -6.618   1.351
  346   1HD   LYS  43          1HD       LYS  43  -3.275  -8.398   2.145
  347   2HD   LYS  43          2HD       LYS  43  -1.545  -8.675   2.269
  348   1HE   LYS  43          1HE       LYS  43  -1.639  -7.822   4.601
  349   2HE   LYS  43          2HE       LYS  43  -3.398  -7.726   4.449
  350   1HZ   LYS  43          1HZ       LYS  43  -2.788  -9.781   5.502
  351   2HZ   LYS  43          2HZ       LYS  43  -1.747 -10.185   4.228
  352   3HZ   LYS  43          3HZ       LYS  43  -3.420 -10.114   3.964
  353    H    VAL  44           H        VAL  44  -1.949  -3.627   0.542
  354    HA   VAL  44           HA       VAL  44  -4.604  -2.736   1.420
  355    HB   VAL  44           HB       VAL  44  -4.381  -0.788  -0.170
  356   1HG1  VAL  44          1HG1      VAL  44  -4.248  -0.522   2.269
  357   2HG1  VAL  44          2HG1      VAL  44  -3.224   0.637   1.421
  358   3HG1  VAL  44          3HG1      VAL  44  -2.504  -0.777   2.192
  359   1HG2  VAL  44          1HG2      VAL  44  -1.465  -1.557  -0.033
  360   2HG2  VAL  44          2HG2      VAL  44  -2.074  -0.027  -0.666
  361   3HG2  VAL  44          3HG2      VAL  44  -2.492  -1.543  -1.468
  362    H    GLU  45           H        GLU  45  -6.050  -2.358  -0.465
  363    HA   GLU  45           HA       GLU  45  -5.387  -4.149  -2.705
  364   1HB   GLU  45          1HB       GLU  45  -7.056  -5.174  -1.187
  365   2HB   GLU  45          2HB       GLU  45  -8.101  -3.777  -1.412
  366   1HG   GLU  45          1HG       GLU  45  -8.330  -4.286  -3.769
  367   2HG   GLU  45          2HG       GLU  45  -7.222  -5.646  -3.601
  368    H    VAL  46           H        VAL  46  -5.496  -3.270  -4.640
  369    HA   VAL  46           HA       VAL  46  -6.959  -0.724  -4.984
  370    HB   VAL  46           HB       VAL  46  -5.344  -1.144  -7.232
  371   1HG1  VAL  46          1HG1      VAL  46  -4.771   0.748  -4.986
  372   2HG1  VAL  46          2HG1      VAL  46  -6.077   0.970  -6.155
  373   3HG1  VAL  46          3HG1      VAL  46  -4.396   0.944  -6.698
  374   1HG2  VAL  46          1HG2      VAL  46  -3.087  -1.232  -6.295
  375   2HG2  VAL  46          2HG2      VAL  46  -4.006  -2.717  -6.042
  376   3HG2  VAL  46          3HG2      VAL  46  -3.779  -1.579  -4.708
  377    H    ASN  47           H        ASN  47  -8.775  -1.070  -5.968
  378    HA   ASN  47           HA       ASN  47 -10.425  -1.752  -7.288
  379   1HB   ASN  47          1HB       ASN  47  -9.947  -2.088  -9.624
  380   2HB   ASN  47          2HB       ASN  47  -9.044  -0.748  -9.006
  381   1HD2  ASN  47          1HD2      ASN  47  -6.827  -0.756  -9.196
  382   2HD2  ASN  47          2HD2      ASN  47  -5.959  -2.034  -9.982
  383    H    ASP  48           H        ASP  48  -7.852  -4.049  -7.736
  384    HA   ASP  48           HA       ASP  48  -9.561  -6.253  -6.904
  385   1HB   ASP  48          1HB       ASP  48  -9.970  -5.857  -9.388
  386   2HB   ASP  48          2HB       ASP  48  -8.314  -6.391  -9.650
  387    H    ARG  49           H        ARG  49  -6.502  -4.851  -7.252
  388    HA   ARG  49           HA       ARG  49  -5.078  -7.398  -6.984
  389   1HB   ARG  49          1HB       ARG  49  -4.031  -4.588  -7.358
  390   2HB   ARG  49          2HB       ARG  49  -3.027  -6.026  -7.243
  391   1HG   ARG  49          1HG       ARG  49  -5.066  -5.496  -9.404
  392   2HG   ARG  49          2HG       ARG  49  -3.327  -5.265  -9.555
  393   1HD   ARG  49          1HD       ARG  49  -3.647  -7.347 -10.515
  394   2HD   ARG  49          2HD       ARG  49  -3.166  -7.750  -8.868
  395    HE   ARG  49           HE       ARG  49  -6.023  -7.576  -9.348
  396   1HH1  ARG  49          1HH1      ARG  49  -3.204  -9.640  -9.201
  397   2HH1  ARG  49          2HH1      ARG  49  -4.123 -11.091  -8.913
  398   1HH2  ARG  49          1HH2      ARG  49  -7.243  -9.462  -8.942
  399   2HH2  ARG  49          2HH2      ARG  49  -6.415 -10.981  -8.739
  400    H    GLN  50           H        GLN  50  -4.215  -8.091  -5.136
  401    HA   GLN  50           HA       GLN  50  -4.370  -6.299  -2.795
  402   1HB   GLN  50          1HB       GLN  50  -4.504  -9.319  -2.915
  403   2HB   GLN  50          2HB       GLN  50  -4.492  -8.376  -1.433
  404   1HG   GLN  50          1HG       GLN  50  -6.620  -7.470  -1.878
  405   2HG   GLN  50          2HG       GLN  50  -6.603  -8.050  -3.541
  406   1HE2  GLN  50          1HE2      GLN  50  -5.575  -9.888  -0.741
  407   2HE2  GLN  50          2HE2      GLN  50  -6.840 -11.063  -0.816
  408    H    GLY  51           H        GLY  51  -2.590  -5.966  -1.571
  409   1HA   GLY  51          1HA       GLY  51  -0.477  -7.570  -1.175
  410   2HA   GLY  51          2HA       GLY  51   0.009  -6.784  -2.608
  411    H    PHE  52           H        PHE  52   1.743  -6.226  -1.034
  412    HA   PHE  52           HA       PHE  52   1.043  -4.223   0.951
  413   1HB   PHE  52          1HB       PHE  52   3.518  -5.808   0.332
  414   2HB   PHE  52          2HB       PHE  52   3.528  -4.471   1.482
  415    HD1  PHE  52           HD1      PHE  52   3.019  -4.868   3.686
  416    HD2  PHE  52           HD2      PHE  52   1.740  -7.653   0.720
  417    HE1  PHE  52           HE1      PHE  52   2.243  -6.396   5.462
  418    HE2  PHE  52           HE2      PHE  52   0.975  -9.183   2.495
  419    HZ   PHE  52           HZ       PHE  52   1.217  -8.555   4.861
  420    H    VAL  53           H        VAL  53   1.902  -2.236   1.106
  421    HA   VAL  53           HA       VAL  53   3.596  -1.157  -1.025
  422    HB   VAL  53           HB       VAL  53   2.254   0.852  -1.237
  423   1HG1  VAL  53          1HG1      VAL  53   0.496  -1.558  -1.552
  424   2HG1  VAL  53          2HG1      VAL  53   1.708  -1.019  -2.714
  425   3HG1  VAL  53          3HG1      VAL  53   0.301  -0.013  -2.375
  426   1HG2  VAL  53          1HG2      VAL  53  -0.027   0.948  -0.183
  427   2HG2  VAL  53          2HG2      VAL  53   1.326   1.099   0.939
  428   3HG2  VAL  53          3HG2      VAL  53   0.453  -0.429   0.810
  429    HA   PRO  54           HA       PRO  54   5.676   0.857   2.335
  430   1HB   PRO  54          1HB       PRO  54   5.511   3.384   0.785
  431   2HB   PRO  54          2HB       PRO  54   6.938   2.561   1.425
  432   1HG   PRO  54          1HG       PRO  54   6.417   2.500  -1.173
  433   2HG   PRO  54          2HG       PRO  54   6.993   1.037  -0.346
  434   1HD   PRO  54          1HD       PRO  54   4.205   1.771  -1.182
  435   2HD   PRO  54          2HD       PRO  54   5.046   0.211  -1.321
  436    H    ALA  55           H        ALA  55   4.782   1.522   4.203
  437    HA   ALA  55           HA       ALA  55   2.204   2.673   4.386
  438   1HB   ALA  55          1HB       ALA  55   2.812   3.041   6.775
  439   2HB   ALA  55          2HB       ALA  55   4.439   2.480   6.395
  440   3HB   ALA  55          3HB       ALA  55   3.064   1.389   6.211
  441    H    ALA  56           H        ALA  56   5.372   4.030   4.001
  442    HA   ALA  56           HA       ALA  56   4.685   6.685   4.867
  443   1HB   ALA  56          1HB       ALA  56   7.031   5.857   3.160
  444   2HB   ALA  56          2HB       ALA  56   7.004   5.733   4.922
  445   3HB   ALA  56          3HB       ALA  56   6.874   7.311   4.148
  446    H    TYR  57           H        TYR  57   3.897   4.885   2.204
  447    HA   TYR  57           HA       TYR  57   3.803   7.209   0.379
  448   1HB   TYR  57          1HB       TYR  57   3.702   4.232  -0.080
  449   2HB   TYR  57          2HB       TYR  57   3.076   5.351  -1.291
  450    HD1  TYR  57           HD1      TYR  57   4.521   5.481  -3.070
  451    HD2  TYR  57           HD2      TYR  57   6.138   5.372   0.870
  452    HE1  TYR  57           HE1      TYR  57   6.780   5.741  -3.997
  453    HE2  TYR  57           HE2      TYR  57   8.390   5.652  -0.039
  454    HH   TYR  57           HH       TYR  57   9.632   5.511  -1.928
  455    H    VAL  58           H        VAL  58   1.991   5.871   2.664
  456    HA   VAL  58           HA       VAL  58  -0.491   6.546   1.285
  457    HB   VAL  58           HB       VAL  58   0.336   3.943   2.023
  458   1HG1  VAL  58          1HG1      VAL  58  -1.893   4.992   3.715
  459   2HG1  VAL  58          2HG1      VAL  58  -0.455   4.095   4.204
  460   3HG1  VAL  58          3HG1      VAL  58  -1.741   3.284   3.307
  461   1HG2  VAL  58          1HG2      VAL  58  -1.790   3.289   0.999
  462   2HG2  VAL  58          2HG2      VAL  58  -0.894   4.463   0.034
  463   3HG2  VAL  58          3HG2      VAL  58  -2.285   4.983   0.988
  464    H    LYS  59           H        LYS  59  -2.141   7.335   2.627
  465    HA   LYS  59           HA       LYS  59  -1.415   7.865   5.426
  466   1HB   LYS  59          1HB       LYS  59  -0.935   9.985   4.662
  467   2HB   LYS  59          2HB       LYS  59  -1.945   9.804   3.236
  468   1HG   LYS  59          1HG       LYS  59  -3.759   9.875   5.330
  469   2HG   LYS  59          2HG       LYS  59  -2.528  11.061   5.773
  470   1HD   LYS  59          1HD       LYS  59  -3.188  12.485   4.184
  471   2HD   LYS  59          2HD       LYS  59  -3.246  11.215   2.961
  472   1HE   LYS  59          1HE       LYS  59  -5.448  12.094   3.176
  473   2HE   LYS  59          2HE       LYS  59  -5.444  10.503   3.936
  474   1HZ   LYS  59          1HZ       LYS  59  -5.445  11.463   6.066
  475   2HZ   LYS  59          2HZ       LYS  59  -6.604  12.333   5.181
  476   3HZ   LYS  59          3HZ       LYS  59  -5.075  13.011   5.473
  477    H    LYS  60           H        LYS  60  -3.063   7.782   6.857
  478    HA   LYS  60           HA       LYS  60  -5.456   6.434   6.198
  479   1HB   LYS  60          1HB       LYS  60  -4.344   7.609   8.640
  480   2HB   LYS  60          2HB       LYS  60  -6.049   7.934   8.503
  481   1HG   LYS  60          1HG       LYS  60  -5.670   5.988   9.850
  482   2HG   LYS  60          2HG       LYS  60  -6.502   5.527   8.372
  483   1HD   LYS  60          1HD       LYS  60  -4.683   4.424   7.547
  484   2HD   LYS  60          2HD       LYS  60  -3.537   5.391   8.458
  485   1HE   LYS  60          1HE       LYS  60  -3.616   3.134   9.363
  486   2HE   LYS  60          2HE       LYS  60  -4.309   4.256  10.517
  487   1HZ   LYS  60          1HZ       LYS  60  -6.262   3.163   8.717
  488   2HZ   LYS  60          2HZ       LYS  60  -6.288   3.282  10.410
  489   3HZ   LYS  60          3HZ       LYS  60  -5.493   1.981   9.668
  490    H    LEU  61           H        LEU  61  -7.277   7.139   5.323
  491    HA   LEU  61           HA       LEU  61  -7.506   9.939   4.647
  492   1HB   LEU  61          1HB       LEU  61  -9.107   7.487   4.036
  493   2HB   LEU  61          2HB       LEU  61  -9.781   9.073   3.718
  494    HG   LEU  61           HG       LEU  61  -7.135   8.193   2.582
  495   1HD1  LEU  61          1HD1      LEU  61  -9.840   8.010   1.272
  496   2HD1  LEU  61          2HD1      LEU  61  -8.928   6.640   1.904
  497   3HD1  LEU  61          3HD1      LEU  61  -8.287   7.582   0.558
  498   1HD2  LEU  61          1HD2      LEU  61  -9.006  10.485   2.153
  499   2HD2  LEU  61          2HD2      LEU  61  -7.988   9.924   0.828
  500   3HD2  LEU  61          3HD2      LEU  61  -7.252  10.489   2.326
  501    H    ASP  62           H        ASP  62  -8.651   7.852   7.091
  502    HA   ASP  62           HA       ASP  62 -10.015  10.073   8.364
  503   1HB   ASP  62          1HB       ASP  62 -11.836   9.103   7.084
  504   2HB   ASP  62          2HB       ASP  62 -11.459   7.501   7.708
  505   1H    ACE   0          1H        ACE   0   4.102 -11.536   1.908
  506   2H    ACE   0          2H        ACE   0   3.069 -11.287   3.312
  507   3H    ACE   0          3H        ACE   0   4.637 -12.060   3.533
  508    H    ALA   1           H        ALA   1   4.824 -10.325   5.158
  509    HA   ALA   1           HA       ALA   1   5.160  -7.631   4.203
  510   1HB   ALA   1          1HB       ALA   1   5.905  -8.819   6.875
  511   2HB   ALA   1          2HB       ALA   1   4.345  -8.100   6.478
  512   3HB   ALA   1          3HB       ALA   1   5.800  -7.103   6.484
  513    HA   PRO   2           HA       PRO   2   9.328  -8.279   2.726
  514   1HB   PRO   2          1HB       PRO   2   9.385  -5.315   2.868
  515   2HB   PRO   2          2HB       PRO   2   9.719  -6.383   1.501
  516   1HG   PRO   2          1HG       PRO   2   7.458  -4.984   1.603
  517   2HG   PRO   2          2HG       PRO   2   7.470  -6.650   0.988
  518   1HD   PRO   2          1HD       PRO   2   6.606  -5.622   3.667
  519   2HD   PRO   2          2HD       PRO   2   5.847  -6.853   2.638
  520    H    SER   3           H        SER   3  11.203  -8.533   3.756
  521    HA   SER   3           HA       SER   3  11.437  -7.502   6.475
  522   1HB   SER   3          1HB       SER   3  13.468  -9.293   5.199
  523   2HB   SER   3          2HB       SER   3  12.906  -9.247   6.870
  524    HG   SER   3           HG       SER   3  10.824  -9.994   5.951
  525    H    TYR   4           H        TYR   4  11.731  -5.506   4.508
  526    HA   TYR   4           HA       TYR   4  14.375  -4.587   5.187
  527   1HB   TYR   4          1HB       TYR   4  14.918  -3.998   2.798
  528   2HB   TYR   4          2HB       TYR   4  15.002  -5.708   3.191
  529    HD1  TYR   4           HD1      TYR   4  13.067  -3.126   1.412
  530    HD2  TYR   4           HD2      TYR   4  13.550  -7.290   2.128
  531    HE1  TYR   4           HE1      TYR   4  11.608  -3.619  -0.500
  532    HE2  TYR   4           HE2      TYR   4  12.086  -7.794   0.217
  533    HH   TYR   4           HH       TYR   4  10.333  -6.731  -1.095
  534    H    SER   5           H        SER   5  14.714  -2.316   4.297
  535    HA   SER   5           HA       SER   5  12.479  -0.752   5.125
  536   1HB   SER   5          1HB       SER   5  15.017   0.204   3.802
  537   2HB   SER   5          2HB       SER   5  13.942   1.131   4.845
  538    HG   SER   5           HG       SER   5  15.039   0.428   6.471
  539    HA   PRO   6           HA       PRO   6  10.621  -0.046   1.162
  540   1HB   PRO   6          1HB       PRO   6   9.467   2.417   2.211
  541   2HB   PRO   6          2HB       PRO   6   8.664   0.893   1.826
  542   1HG   PRO   6          1HG       PRO   6   8.960   1.787   4.369
  543   2HG   PRO   6          2HG       PRO   6   8.925   0.064   3.950
  544   1HD   PRO   6          1HD       PRO   6  11.284   1.825   4.520
  545   2HD   PRO   6          2HD       PRO   6  10.958   0.165   5.065
  546    HA   PRO   7           HA       PRO   7  13.032   2.894  -1.090
  547   1HB   PRO   7          1HB       PRO   7  11.188   3.860  -2.880
  548   2HB   PRO   7          2HB       PRO   7  11.995   2.296  -3.039
  549   1HG   PRO   7          1HG       PRO   7   9.276   2.926  -1.960
  550   2HG   PRO   7          2HG       PRO   7   9.780   1.602  -3.026
  551   1HD   PRO   7          1HD       PRO   7   9.371   1.214  -0.402
  552   2HD   PRO   7          2HD       PRO   7  10.658   0.359  -1.278
  553    HA   PRO   8           HA       PRO   8  12.466   6.746   1.043
  554   1HB   PRO   8          1HB       PRO   8  14.043   8.268  -0.651
  555   2HB   PRO   8          2HB       PRO   8  14.640   7.300   0.701
  556   1HG   PRO   8          1HG       PRO   8  14.550   6.638  -2.212
  557   2HG   PRO   8          2HG       PRO   8  15.822   6.298  -1.024
  558   1HD   PRO   8          1HD       PRO   8  14.125   4.389  -1.829
  559   2HD   PRO   8          2HD       PRO   8  14.685   4.476  -0.145
  560    HA   PRO   9           HA       PRO   9   9.086   8.319  -1.485
  561   1HB   PRO   9          1HB       PRO   9   8.641  10.021   0.877
  562   2HB   PRO   9          2HB       PRO   9   7.553   8.859   0.114
  563   1HG   PRO   9          1HG       PRO   9   8.690   8.374   2.494
  564   2HG   PRO   9          2HG       PRO   9   8.394   7.080   1.317
  565   1HD   PRO   9          1HD       PRO   9  10.944   8.510   1.963
  566   2HD   PRO   9          2HD       PRO   9  10.670   6.784   1.641
  567    HA   PRO  10           HA       PRO  10  11.127  12.056  -2.811
  568   1HB   PRO  10          1HB       PRO  10   8.969  12.425  -4.704
  569   2HB   PRO  10          2HB       PRO  10  10.627  11.908  -5.013
  570   1HG   PRO  10          1HG       PRO  10   8.451  10.282  -5.311
  571   2HG   PRO  10          2HG       PRO  10  10.080   9.688  -4.942
  572   1HD   PRO  10          1HD       PRO  10   7.756  10.123  -3.103
  573   2HD   PRO  10          2HD       PRO  10   8.933   8.791  -3.139
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1 -20.882  -7.383  -2.136
    2   2H    MET   1          2H        MET   1 -21.480  -5.894  -2.683
    3   3H    MET   1          3H        MET   1 -20.322  -5.938  -1.447
    4    HA   MET   1           HA       MET   1 -18.832  -7.103  -3.127
    5   1HB   MET   1          1HB       MET   1 -20.990  -5.945  -4.888
    6   2HB   MET   1          2HB       MET   1 -19.376  -6.313  -5.483
    7   1HG   MET   1          1HG       MET   1 -21.358  -8.256  -4.320
    8   2HG   MET   1          2HG       MET   1 -20.863  -8.123  -6.007
    9   1HE   MET   1          1HE       MET   1 -20.620 -10.867  -5.573
   10   2HE   MET   1          2HE       MET   1 -20.811 -10.708  -3.827
   11   3HE   MET   1          3HE       MET   1 -19.406 -11.544  -4.488
   12    H    ASP   2           H        ASP   2 -18.438  -5.206  -1.352
   13    HA   ASP   2           HA       ASP   2 -17.438  -2.951  -2.953
   14   1HB   ASP   2          1HB       ASP   2 -18.721  -2.569  -0.219
   15   2HB   ASP   2          2HB       ASP   2 -17.972  -1.330  -1.210
   16    H    GLU   3           H        GLU   3 -15.637  -4.478  -2.816
   17    HA   GLU   3           HA       GLU   3 -14.276  -4.994  -0.357
   18   1HB   GLU   3          1HB       GLU   3 -12.981  -4.764  -3.158
   19   2HB   GLU   3          2HB       GLU   3 -12.093  -5.240  -1.723
   20   1HG   GLU   3          1HG       GLU   3 -12.978  -7.072  -3.274
   21   2HG   GLU   3          2HG       GLU   3 -13.162  -7.270  -1.538
   22    H    THR   4           H        THR   4 -14.742  -2.002  -1.779
   23    HA   THR   4           HA       THR   4 -12.357  -0.906  -0.486
   24    HB   THR   4           HB       THR   4 -12.889  -0.229  -2.925
   25    HG1  THR   4           HG1      THR   4 -11.588   0.915  -1.085
   26   1HG2  THR   4          1HG2      THR   4 -14.313   2.032  -2.688
   27   2HG2  THR   4          2HG2      THR   4 -15.142   1.062  -1.471
   28   3HG2  THR   4          3HG2      THR   4 -15.048   0.496  -3.140
   29    H    GLY   5           H        GLY   5 -14.947  -1.841   0.678
   30   1HA   GLY   5          1HA       GLY   5 -15.834   0.615   2.036
   31   2HA   GLY   5          2HA       GLY   5 -16.698  -0.920   2.021
   32    H    LYS   6           H        LYS   6 -13.395   0.052   2.813
   33    HA   LYS   6           HA       LYS   6 -13.688  -0.985   5.512
   34   1HB   LYS   6          1HB       LYS   6 -11.297  -1.680   3.767
   35   2HB   LYS   6          2HB       LYS   6 -11.644  -2.212   5.375
   36   1HG   LYS   6          1HG       LYS   6 -13.224  -3.772   4.688
   37   2HG   LYS   6          2HG       LYS   6 -13.459  -2.996   3.133
   38   1HD   LYS   6          1HD       LYS   6 -10.982  -3.564   2.723
   39   2HD   LYS   6          2HD       LYS   6 -11.181  -4.693   4.061
   40   1HE   LYS   6          1HE       LYS   6 -12.910  -5.869   2.888
   41   2HE   LYS   6          2HE       LYS   6 -12.942  -4.649   1.615
   42   1HZ   LYS   6          1HZ       LYS   6 -10.766  -5.313   0.904
   43   2HZ   LYS   6          2HZ       LYS   6 -11.720  -6.706   1.020
   44   3HZ   LYS   6          3HZ       LYS   6 -10.588  -6.360   2.230
   45    H    GLU   7           H        GLU   7 -10.958  -0.655   6.156
   46    HA   GLU   7           HA       GLU   7 -10.799   2.110   6.660
   47   1HB   GLU   7          1HB       GLU   7  -9.542  -0.063   7.624
   48   2HB   GLU   7          2HB       GLU   7  -8.294   0.509   6.530
   49   1HG   GLU   7          1HG       GLU   7  -8.127   2.580   7.689
   50   2HG   GLU   7          2HG       GLU   7  -9.564   2.218   8.649
   51    H    LEU   8           H        LEU   8 -10.333   3.703   5.226
   52    HA   LEU   8           HA       LEU   8  -8.996   2.902   2.752
   53   1HB   LEU   8          1HB       LEU   8 -10.715   5.271   3.408
   54   2HB   LEU   8          2HB       LEU   8  -9.840   5.112   1.893
   55    HG   LEU   8           HG       LEU   8 -11.888   3.151   2.900
   56   1HD1  LEU   8          1HD1      LEU   8 -13.355   4.045   1.136
   57   2HD1  LEU   8          2HD1      LEU   8 -12.173   5.314   0.823
   58   3HD1  LEU   8          3HD1      LEU   8 -12.994   5.239   2.383
   59   1HD2  LEU   8          1HD2      LEU   8 -10.423   3.361   0.284
   60   2HD2  LEU   8          2HD2      LEU   8 -11.825   2.328   0.557
   61   3HD2  LEU   8          3HD2      LEU   8 -10.339   2.053   1.466
   62    H    VAL   9           H        VAL   9  -7.393   3.997   1.839
   63    HA   VAL   9           HA       VAL   9  -5.954   5.992   3.447
   64    HB   VAL   9           HB       VAL   9  -3.815   4.888   2.477
   65   1HG1  VAL   9          1HG1      VAL   9  -4.136   5.037   4.802
   66   2HG1  VAL   9          2HG1      VAL   9  -3.689   3.368   4.451
   67   3HG1  VAL   9          3HG1      VAL   9  -5.374   3.777   4.784
   68   1HG2  VAL   9          1HG2      VAL   9  -4.831   3.274   1.042
   69   2HG2  VAL   9          2HG2      VAL   9  -5.742   2.583   2.385
   70   3HG2  VAL   9          3HG2      VAL   9  -3.986   2.423   2.334
   71    H    LEU  10           H        LEU  10  -4.436   7.229   2.210
   72    HA   LEU  10           HA       LEU  10  -5.289   7.537  -0.589
   73   1HB   LEU  10          1HB       LEU  10  -5.838   9.466   0.748
   74   2HB   LEU  10          2HB       LEU  10  -4.213   9.527   1.405
   75    HG   LEU  10           HG       LEU  10  -3.546   9.845  -1.119
   76   1HD1  LEU  10          1HD1      LEU  10  -5.699   9.562  -2.110
   77   2HD1  LEU  10          2HD1      LEU  10  -5.257  11.264  -2.255
   78   3HD1  LEU  10          3HD1      LEU  10  -6.416  10.755  -1.027
   79   1HD2  LEU  10          1HD2      LEU  10  -4.718  11.983   0.647
   80   2HD2  LEU  10          2HD2      LEU  10  -3.716  12.286  -0.772
   81   3HD2  LEU  10          3HD2      LEU  10  -3.043  11.427   0.615
   82    H    ALA  11           H        ALA  11  -3.760   7.440  -2.176
   83    HA   ALA  11           HA       ALA  11  -1.111   6.586  -1.382
   84   1HB   ALA  11          1HB       ALA  11  -1.842   7.074  -4.237
   85   2HB   ALA  11          2HB       ALA  11  -2.608   5.734  -3.375
   86   3HB   ALA  11          3HB       ALA  11  -0.851   5.798  -3.525
   87    H    LEU  12           H        LEU  12   0.339   8.087  -0.870
   88    HA   LEU  12           HA       LEU  12   0.184  10.792  -1.729
   89   1HB   LEU  12          1HB       LEU  12   2.181   9.197  -0.150
   90   2HB   LEU  12          2HB       LEU  12   2.508  10.861  -0.620
   91    HG   LEU  12           HG       LEU  12   0.384  11.511   0.545
   92   1HD1  LEU  12          1HD1      LEU  12  -0.739   9.405   0.585
   93   2HD1  LEU  12          2HD1      LEU  12  -0.483   9.967   2.240
   94   3HD1  LEU  12          3HD1      LEU  12   0.543   8.697   1.569
   95   1HD2  LEU  12          1HD2      LEU  12   2.541  11.904   1.590
   96   2HD2  LEU  12          2HD2      LEU  12   2.586  10.241   2.177
   97   3HD2  LEU  12          3HD2      LEU  12   1.387  11.367   2.815
   98    H    TYR  13           H        TYR  13   2.150   8.011  -2.673
   99    HA   TYR  13           HA       TYR  13   3.215   9.637  -4.876
  100   1HB   TYR  13          1HB       TYR  13   4.994   7.648  -3.499
  101   2HB   TYR  13          2HB       TYR  13   5.442   9.019  -4.506
  102    HD1  TYR  13           HD1      TYR  13   5.029  11.359  -3.554
  103    HD2  TYR  13           HD2      TYR  13   5.000   7.837  -1.172
  104    HE1  TYR  13           HE1      TYR  13   5.392  12.727  -1.547
  105    HE2  TYR  13           HE2      TYR  13   5.358   9.193   0.848
  106    HH   TYR  13           HH       TYR  13   6.529  11.716   1.191
  107    H    ASP  14           H        ASP  14   4.276   8.267  -6.546
  108    HA   ASP  14           HA       ASP  14   2.543   6.084  -7.261
  109   1HB   ASP  14          1HB       ASP  14   3.303   7.710  -8.964
  110   2HB   ASP  14          2HB       ASP  14   4.971   7.255  -8.655
  111    H    TYR  15           H        TYR  15   2.993   4.022  -7.053
  112    HA   TYR  15           HA       TYR  15   5.739   3.224  -6.390
  113   1HB   TYR  15          1HB       TYR  15   4.495   3.363  -4.272
  114   2HB   TYR  15          2HB       TYR  15   3.279   2.257  -4.910
  115    HD1  TYR  15           HD1      TYR  15   3.486  -0.001  -4.406
  116    HD2  TYR  15           HD2      TYR  15   6.968   2.445  -4.375
  117    HE1  TYR  15           HE1      TYR  15   4.821  -1.913  -3.635
  118    HE2  TYR  15           HE2      TYR  15   8.308   0.540  -3.615
  119    HH   TYR  15           HH       TYR  15   7.120  -2.675  -3.594
  120    H    GLN  16           H        GLN  16   6.355   1.186  -7.068
  121    HA   GLN  16           HA       GLN  16   4.465  -0.207  -8.867
  122   1HB   GLN  16          1HB       GLN  16   7.136   0.860  -9.282
  123   2HB   GLN  16          2HB       GLN  16   7.169  -0.876  -9.465
  124   1HG   GLN  16          1HG       GLN  16   5.553   1.109 -11.066
  125   2HG   GLN  16          2HG       GLN  16   6.893   0.108 -11.604
  126   1HE2  GLN  16          1HE2      GLN  16   6.177  -2.320 -10.449
  127   2HE2  GLN  16          2HE2      GLN  16   4.757  -2.911 -11.247
  128    H    GLU  17           H        GLU  17   4.106  -2.313  -8.418
  129    HA   GLU  17           HA       GLU  17   5.035  -3.458  -6.015
  130   1HB   GLU  17          1HB       GLU  17   4.007  -5.565  -6.877
  131   2HB   GLU  17          2HB       GLU  17   2.930  -4.176  -6.909
  132   1HG   GLU  17          1HG       GLU  17   3.413  -3.903  -9.312
  133   2HG   GLU  17          2HG       GLU  17   4.400  -5.362  -9.249
  134    H    LYS  18           H        LYS  18   6.740  -4.730  -5.521
  135    HA   LYS  18           HA       LYS  18   8.580  -5.311  -7.752
  136   1HB   LYS  18          1HB       LYS  18   9.212  -5.292  -4.800
  137   2HB   LYS  18          2HB       LYS  18  10.362  -5.440  -6.121
  138   1HG   LYS  18          1HG       LYS  18   9.850  -3.151  -6.839
  139   2HG   LYS  18          2HG       LYS  18   8.662  -3.002  -5.544
  140   1HD   LYS  18          1HD       LYS  18  11.557  -3.637  -5.001
  141   2HD   LYS  18          2HD       LYS  18  10.961  -1.984  -5.139
  142   1HE   LYS  18          1HE       LYS  18  11.031  -2.604  -2.808
  143   2HE   LYS  18          2HE       LYS  18   9.351  -2.448  -3.313
  144   1HZ   LYS  18          1HZ       LYS  18  10.607  -5.100  -3.409
  145   2HZ   LYS  18          2HZ       LYS  18   8.983  -4.678  -3.131
  146   3HZ   LYS  18          3HZ       LYS  18  10.139  -4.476  -1.904
  147    H    SER  19           H        SER  19   6.950  -6.821  -5.000
  148    HA   SER  19           HA       SER  19   7.914  -9.431  -5.963
  149   1HB   SER  19          1HB       SER  19   7.583 -10.261  -3.680
  150   2HB   SER  19          2HB       SER  19   8.635  -8.838  -3.652
  151    HG   SER  19           HG       SER  19   7.106  -7.688  -2.683
  152    HA   PRO  20           HA       PRO  20   3.747 -10.733  -6.794
  153   1HB   PRO  20          1HB       PRO  20   4.113 -13.056  -4.974
  154   2HB   PRO  20          2HB       PRO  20   3.698 -13.037  -6.695
  155   1HG   PRO  20          1HG       PRO  20   6.118 -13.775  -5.938
  156   2HG   PRO  20          2HG       PRO  20   5.932 -12.692  -7.334
  157   1HD   PRO  20          1HD       PRO  20   6.615 -12.005  -4.492
  158   2HD   PRO  20          2HD       PRO  20   7.419 -11.470  -5.989
  159    H    ALA  21           H        ALA  21   4.784 -10.103  -3.626
  160    HA   ALA  21           HA       ALA  21   2.053 -10.222  -2.554
  161   1HB   ALA  21          1HB       ALA  21   3.550 -11.474  -1.176
  162   2HB   ALA  21          2HB       ALA  21   3.187  -9.972  -0.323
  163   3HB   ALA  21          3HB       ALA  21   4.727 -10.161  -1.164
  164    H    GLU  22           H        GLU  22   3.347  -8.217  -4.333
  165    HA   GLU  22           HA       GLU  22   2.890  -5.846  -2.659
  166   1HB   GLU  22          1HB       GLU  22   5.163  -6.512  -4.399
  167   2HB   GLU  22          2HB       GLU  22   4.489  -4.912  -4.666
  168   1HG   GLU  22          1HG       GLU  22   5.090  -4.160  -2.612
  169   2HG   GLU  22          2HG       GLU  22   5.063  -5.763  -1.879
  170    H    VAL  23           H        VAL  23   2.056  -3.980  -3.840
  171    HA   VAL  23           HA       VAL  23   0.817  -4.659  -6.408
  172    HB   VAL  23           HB       VAL  23  -1.235  -3.317  -5.578
  173   1HG1  VAL  23          1HG1      VAL  23  -2.258  -5.375  -4.626
  174   2HG1  VAL  23          2HG1      VAL  23  -0.664  -6.123  -4.676
  175   3HG1  VAL  23          3HG1      VAL  23  -1.445  -5.611  -6.173
  176   1HG2  VAL  23          1HG2      VAL  23  -1.243  -4.259  -2.953
  177   2HG2  VAL  23          2HG2      VAL  23  -1.192  -2.584  -3.497
  178   3HG2  VAL  23          3HG2      VAL  23   0.307  -3.454  -3.175
  179    H    THR  24           H        THR  24   0.221  -2.846  -7.694
  180    HA   THR  24           HA       THR  24   2.046  -0.605  -7.305
  181    HB   THR  24           HB       THR  24   0.383  -1.469  -9.674
  182    HG1  THR  24           HG1      THR  24   2.055  -2.662 -10.104
  183   1HG2  THR  24          1HG2      THR  24   0.651   0.918  -9.805
  184   2HG2  THR  24          2HG2      THR  24   1.749   0.162 -10.959
  185   3HG2  THR  24          3HG2      THR  24   2.367   0.784  -9.429
  186    H    MET  25           H        MET  25   1.417   1.502  -7.095
  187    HA   MET  25           HA       MET  25  -1.439   2.149  -7.178
  188   1HB   MET  25          1HB       MET  25  -1.373   3.321  -5.055
  189   2HB   MET  25          2HB       MET  25  -0.901   1.637  -4.812
  190   1HG   MET  25          1HG       MET  25   1.376   2.210  -4.549
  191   2HG   MET  25          2HG       MET  25   1.107   3.848  -5.155
  192   1HE   MET  25          1HE       MET  25  -1.584   2.366  -2.874
  193   2HE   MET  25          2HE       MET  25  -0.960   2.619  -1.243
  194   3HE   MET  25          3HE       MET  25  -0.216   1.414  -2.294
  195    H    LYS  26           H        LYS  26  -1.811   4.508  -7.126
  196    HA   LYS  26           HA       LYS  26   0.495   6.030  -8.141
  197   1HB   LYS  26          1HB       LYS  26  -2.187   5.715  -9.463
  198   2HB   LYS  26          2HB       LYS  26  -1.293   7.212  -9.651
  199   1HG   LYS  26          1HG       LYS  26  -0.724   5.959 -11.518
  200   2HG   LYS  26          2HG       LYS  26   0.648   5.758 -10.430
  201   1HD   LYS  26          1HD       LYS  26  -0.199   3.588  -9.731
  202   2HD   LYS  26          2HD       LYS  26  -1.620   3.795 -10.757
  203   1HE   LYS  26          1HE       LYS  26   0.091   2.351 -11.783
  204   2HE   LYS  26          2HE       LYS  26  -0.244   3.795 -12.738
  205   1HZ   LYS  26          1HZ       LYS  26   2.193   2.990 -11.393
  206   2HZ   LYS  26          2HZ       LYS  26   1.795   4.627 -11.205
  207   3HZ   LYS  26          3HZ       LYS  26   1.975   3.970 -12.758
  208    H    LYS  27           H        LYS  27   0.458   8.268  -7.746
  209    HA   LYS  27           HA       LYS  27  -0.708   9.030  -5.300
  210   1HB   LYS  27          1HB       LYS  27   1.146  10.319  -5.726
  211   2HB   LYS  27          2HB       LYS  27   0.827  10.416  -7.449
  212   1HG   LYS  27          1HG       LYS  27   0.590  12.596  -6.638
  213   2HG   LYS  27          2HG       LYS  27  -1.054  12.005  -6.875
  214   1HD   LYS  27          1HD       LYS  27  -1.345  11.650  -4.533
  215   2HD   LYS  27          2HD       LYS  27   0.370  11.926  -4.220
  216   1HE   LYS  27          1HE       LYS  27   0.130  14.250  -4.917
  217   2HE   LYS  27          2HE       LYS  27  -1.577  13.978  -5.267
  218   1HZ   LYS  27          1HZ       LYS  27  -1.326  15.018  -3.131
  219   2HZ   LYS  27          2HZ       LYS  27  -0.281  13.795  -2.598
  220   3HZ   LYS  27          3HZ       LYS  27  -1.909  13.444  -2.917
  221    H    GLY  28           H        GLY  28  -2.651   9.759  -4.810
  222   1HA   GLY  28          1HA       GLY  28  -4.573  11.182  -5.222
  223   2HA   GLY  28          2HA       GLY  28  -4.296  10.963  -6.951
  224    H    ASP  29           H        ASP  29  -3.825   8.011  -5.708
  225    HA   ASP  29           HA       ASP  29  -6.523   7.168  -6.415
  226   1HB   ASP  29          1HB       ASP  29  -3.925   6.065  -6.818
  227   2HB   ASP  29          2HB       ASP  29  -4.822   4.955  -5.776
  228    H    ILE  30           H        ILE  30  -7.857   6.089  -5.024
  229    HA   ILE  30           HA       ILE  30  -7.093   6.251  -2.206
  230    HB   ILE  30           HB       ILE  30  -9.735   6.035  -3.622
  231   1HG1  ILE  30          1HG1      ILE  30 -10.337   7.932  -2.231
  232   2HG1  ILE  30          2HG1      ILE  30  -8.851   7.780  -1.307
  233   1HG2  ILE  30          1HG2      ILE  30 -10.873   5.618  -1.487
  234   2HG2  ILE  30          2HG2      ILE  30  -9.308   5.383  -0.710
  235   3HG2  ILE  30          3HG2      ILE  30  -9.845   4.268  -1.966
  236   1HD1  ILE  30          1HD1      ILE  30  -9.151   8.649  -4.171
  237   2HD1  ILE  30          2HD1      ILE  30  -7.595   8.303  -3.413
  238   3HD1  ILE  30          3HD1      ILE  30  -8.607   9.614  -2.797
  239    H    LEU  31           H        LEU  31  -6.345   4.559  -1.220
  240    HA   LEU  31           HA       LEU  31  -6.726   1.891  -2.395
  241   1HB   LEU  31          1HB       LEU  31  -4.596   3.190  -0.764
  242   2HB   LEU  31          2HB       LEU  31  -4.821   1.466  -0.590
  243    HG   LEU  31           HG       LEU  31  -3.023   2.255  -2.206
  244   1HD1  LEU  31          1HD1      LEU  31  -3.811  -0.038  -2.168
  245   2HD1  LEU  31          2HD1      LEU  31  -3.486   0.488  -3.819
  246   3HD1  LEU  31          3HD1      LEU  31  -5.147   0.391  -3.241
  247   1HD2  LEU  31          1HD2      LEU  31  -5.417   2.846  -3.938
  248   2HD2  LEU  31          2HD2      LEU  31  -3.732   2.834  -4.462
  249   3HD2  LEU  31          3HD2      LEU  31  -4.285   4.035  -3.295
  250    H    THR  32           H        THR  32  -7.165   0.113  -0.981
  251    HA   THR  32           HA       THR  32  -8.603   0.900   1.453
  252    HB   THR  32           HB       THR  32  -8.843  -1.702  -0.076
  253    HG1  THR  32           HG1      THR  32  -9.549   0.203  -1.279
  254   1HG2  THR  32          1HG2      THR  32 -10.992  -1.849   1.182
  255   2HG2  THR  32          2HG2      THR  32 -10.490  -0.430   2.107
  256   3HG2  THR  32          3HG2      THR  32  -9.553  -1.924   2.201
  257    H    LEU  33           H        LEU  33  -7.789   0.305   3.370
  258    HA   LEU  33           HA       LEU  33  -5.299  -1.132   3.452
  259   1HB   LEU  33          1HB       LEU  33  -6.850   0.527   5.275
  260   2HB   LEU  33          2HB       LEU  33  -6.119  -0.852   6.071
  261    HG   LEU  33           HG       LEU  33  -4.686   1.280   4.500
  262   1HD1  LEU  33          1HD1      LEU  33  -3.759   1.952   6.575
  263   2HD1  LEU  33          2HD1      LEU  33  -4.469   0.575   7.414
  264   3HD1  LEU  33          3HD1      LEU  33  -5.508   1.857   6.784
  265   1HD2  LEU  33          1HD2      LEU  33  -3.653  -1.225   5.810
  266   2HD2  LEU  33          2HD2      LEU  33  -2.634   0.136   5.340
  267   3HD2  LEU  33          3HD2      LEU  33  -3.524  -0.764   4.110
  268    H    LEU  34           H        LEU  34  -4.963  -3.163   3.868
  269    HA   LEU  34           HA       LEU  34  -7.237  -4.830   4.709
  270   1HB   LEU  34          1HB       LEU  34  -4.701  -5.785   3.395
  271   2HB   LEU  34          2HB       LEU  34  -6.210  -6.652   3.572
  272    HG   LEU  34           HG       LEU  34  -5.728  -4.282   1.778
  273   1HD1  LEU  34          1HD1      LEU  34  -4.914  -6.805   1.338
  274   2HD1  LEU  34          2HD1      LEU  34  -5.447  -5.707   0.059
  275   3HD1  LEU  34          3HD1      LEU  34  -6.566  -6.900   0.718
  276   1HD2  LEU  34          1HD2      LEU  34  -8.017  -4.971   0.896
  277   2HD2  LEU  34          2HD2      LEU  34  -7.976  -4.102   2.431
  278   3HD2  LEU  34          3HD2      LEU  34  -8.209  -5.852   2.411
  279    H    ASN  35           H        ASN  35  -3.779  -4.259   5.157
  280    HA   ASN  35           HA       ASN  35  -3.967  -5.144   7.914
  281   1HB   ASN  35          1HB       ASN  35  -3.440  -7.207   6.605
  282   2HB   ASN  35          2HB       ASN  35  -1.976  -6.423   6.023
  283   1HD2  ASN  35          1HD2      ASN  35  -3.413  -8.205   8.536
  284   2HD2  ASN  35          2HD2      ASN  35  -2.065  -8.195   9.632
  285    H    SER  36           H        SER  36  -2.613  -3.989   9.201
  286    HA   SER  36           HA       SER  36  -0.436  -2.491   7.935
  287   1HB   SER  36          1HB       SER  36  -1.148  -0.627   9.622
  288   2HB   SER  36          2HB       SER  36  -2.062  -0.809   8.116
  289    HG   SER  36           HG       SER  36  -3.763  -1.409   9.213
  290    H    THR  37           H        THR  37  -0.295  -4.946   9.409
  291    HA   THR  37           HA       THR  37   0.434  -4.431  12.120
  292    HB   THR  37           HB       THR  37  -0.351  -6.647  11.123
  293    HG1  THR  37           HG1      THR  37   0.810  -6.145  13.272
  294   1HG2  THR  37          1HG2      THR  37   1.226  -6.847   9.290
  295   2HG2  THR  37          2HG2      THR  37   1.464  -8.180  10.421
  296   3HG2  THR  37          3HG2      THR  37   2.581  -6.815  10.418
  297    H    ASN  38           H        ASN  38   1.943  -3.745   9.259
  298    HA   ASN  38           HA       ASN  38   4.645  -3.876  10.417
  299   1HB   ASN  38          1HB       ASN  38   4.184  -5.121   8.272
  300   2HB   ASN  38          2HB       ASN  38   3.859  -3.576   7.520
  301   1HD2  ASN  38          1HD2      ASN  38   5.943  -5.670   7.020
  302   2HD2  ASN  38          2HD2      ASN  38   7.438  -4.811   7.050
  303    H    LYS  39           H        LYS  39   5.850  -1.983  10.465
  304    HA   LYS  39           HA       LYS  39   4.342   0.442  10.569
  305   1HB   LYS  39          1HB       LYS  39   7.125  -0.464  11.258
  306   2HB   LYS  39          2HB       LYS  39   6.671   1.202  11.338
  307   1HG   LYS  39          1HG       LYS  39   5.221   0.855  13.153
  308   2HG   LYS  39          2HG       LYS  39   5.146  -0.885  12.840
  309   1HD   LYS  39          1HD       LYS  39   7.580   0.626  13.788
  310   2HD   LYS  39          2HD       LYS  39   6.528  -0.368  14.798
  311   1HE   LYS  39          1HE       LYS  39   7.077  -2.321  13.401
  312   2HE   LYS  39          2HE       LYS  39   8.160  -1.314  12.445
  313   1HZ   LYS  39          1HZ       LYS  39   8.452  -1.966  15.328
  314   2HZ   LYS  39          2HZ       LYS  39   9.464  -0.911  14.462
  315   3HZ   LYS  39          3HZ       LYS  39   9.406  -2.556  14.053
  316    H    ASP  40           H        ASP  40   6.623  -1.035   8.373
  317    HA   ASP  40           HA       ASP  40   6.899   1.557   6.990
  318   1HB   ASP  40          1HB       ASP  40   8.637  -0.908   6.799
  319   2HB   ASP  40          2HB       ASP  40   8.881   0.583   5.891
  320    H    TRP  41           H        TRP  41   5.452  -1.479   6.764
  321    HA   TRP  41           HA       TRP  41   4.823  -0.998   3.933
  322   1HB   TRP  41          1HB       TRP  41   5.613  -3.636   5.181
  323   2HB   TRP  41          2HB       TRP  41   4.899  -3.485   3.583
  324    HD1  TRP  41           HD1      TRP  41   8.134  -2.847   5.494
  325    HE1  TRP  41           HE1      TRP  41  10.031  -2.418   3.811
  326    HE3  TRP  41           HE3      TRP  41   5.360  -2.598   1.204
  327    HZ2  TRP  41           HZ2      TRP  41  10.305  -2.025   1.027
  328    HZ3  TRP  41           HZ3      TRP  41   6.519  -2.190  -0.920
  329    HH2  TRP  41           HH2      TRP  41   8.938  -1.907  -1.009
  330    H    TRP  42           H        TRP  42   2.697  -1.067   3.479
  331    HA   TRP  42           HA       TRP  42   0.928  -2.330   5.471
  332   1HB   TRP  42          1HB       TRP  42   0.676   0.292   4.017
  333   2HB   TRP  42          2HB       TRP  42  -0.766  -0.563   4.568
  334    HD1  TRP  42           HD1      TRP  42   1.827  -1.210   7.038
  335    HE1  TRP  42           HE1      TRP  42   1.618   0.355   9.063
  336    HE3  TRP  42           HE3      TRP  42  -1.383   2.220   5.076
  337    HZ2  TRP  42           HZ2      TRP  42   0.271   2.755   9.720
  338    HZ3  TRP  42           HZ3      TRP  42  -2.090   4.142   6.463
  339    HH2  TRP  42           HH2      TRP  42  -1.272   4.388   8.738
  340    H    LYS  43           H        LYS  43  -0.596  -3.701   4.739
  341    HA   LYS  43           HA       LYS  43  -0.494  -4.459   1.932
  342   1HB   LYS  43          1HB       LYS  43  -0.502  -6.168   3.772
  343   2HB   LYS  43          2HB       LYS  43  -2.124  -5.636   4.193
  344   1HG   LYS  43          1HG       LYS  43  -2.931  -6.314   1.983
  345   2HG   LYS  43          2HG       LYS  43  -1.309  -6.871   1.562
  346   1HD   LYS  43          1HD       LYS  43  -1.431  -8.396   3.563
  347   2HD   LYS  43          2HD       LYS  43  -3.123  -7.940   3.726
  348   1HE   LYS  43          1HE       LYS  43  -1.847  -9.367   1.385
  349   2HE   LYS  43          2HE       LYS  43  -2.962 -10.041   2.575
  350   1HZ   LYS  43          1HZ       LYS  43  -3.711  -7.817   0.784
  351   2HZ   LYS  43          2HZ       LYS  43  -4.729  -8.770   1.747
  352   3HZ   LYS  43          3HZ       LYS  43  -3.964  -9.446   0.389
  353    H    VAL  44           H        VAL  44  -1.836  -3.578   0.509
  354    HA   VAL  44           HA       VAL  44  -4.465  -2.656   1.455
  355    HB   VAL  44           HB       VAL  44  -4.299  -0.835  -0.282
  356   1HG1  VAL  44          1HG1      VAL  44  -2.352  -0.789   2.017
  357   2HG1  VAL  44          2HG1      VAL  44  -4.052  -0.322   2.057
  358   3HG1  VAL  44          3HG1      VAL  44  -2.898   0.633   1.125
  359   1HG2  VAL  44          1HG2      VAL  44  -2.059  -0.168  -1.020
  360   2HG2  VAL  44          2HG2      VAL  44  -2.487  -1.771  -1.615
  361   3HG2  VAL  44          3HG2      VAL  44  -1.378  -1.604  -0.253
  362    H    GLU  45           H        GLU  45  -5.943  -2.210  -0.438
  363    HA   GLU  45           HA       GLU  45  -5.678  -4.316  -2.488
  364   1HB   GLU  45          1HB       GLU  45  -7.399  -4.677  -0.634
  365   2HB   GLU  45          2HB       GLU  45  -8.266  -3.306  -1.304
  366   1HG   GLU  45          1HG       GLU  45  -8.770  -4.452  -3.282
  367   2HG   GLU  45          2HG       GLU  45  -7.569  -5.701  -2.964
  368    H    VAL  46           H        VAL  46  -5.605  -3.538  -4.501
  369    HA   VAL  46           HA       VAL  46  -6.860  -0.912  -5.051
  370    HB   VAL  46           HB       VAL  46  -5.101  -1.556  -7.158
  371   1HG1  VAL  46          1HG1      VAL  46  -4.033   0.552  -6.598
  372   2HG1  VAL  46          2HG1      VAL  46  -4.863   0.558  -5.042
  373   3HG1  VAL  46          3HG1      VAL  46  -5.793   0.670  -6.537
  374   1HG2  VAL  46          1HG2      VAL  46  -3.742  -1.763  -4.490
  375   2HG2  VAL  46          2HG2      VAL  46  -2.923  -1.585  -6.043
  376   3HG2  VAL  46          3HG2      VAL  46  -3.887  -3.025  -5.714
  377    H    ASN  47           H        ASN  47  -8.599  -1.180  -6.184
  378    HA   ASN  47           HA       ASN  47 -10.204  -1.849  -7.553
  379   1HB   ASN  47          1HB       ASN  47  -9.438  -2.806  -9.808
  380   2HB   ASN  47          2HB       ASN  47  -9.060  -1.156  -9.427
  381   1HD2  ASN  47          1HD2      ASN  47  -6.891  -0.561  -9.136
  382   2HD2  ASN  47          2HD2      ASN  47  -5.603  -1.606  -9.634
  383    H    ASP  48           H        ASP  48  -7.796  -4.318  -7.876
  384    HA   ASP  48           HA       ASP  48  -9.618  -6.339  -6.815
  385   1HB   ASP  48          1HB       ASP  48 -10.090  -6.168  -9.294
  386   2HB   ASP  48          2HB       ASP  48  -8.449  -6.747  -9.569
  387    H    ARG  49           H        ARG  49  -6.544  -5.138  -7.149
  388    HA   ARG  49           HA       ARG  49  -5.240  -7.728  -6.737
  389   1HB   ARG  49          1HB       ARG  49  -4.058  -5.000  -7.270
  390   2HB   ARG  49          2HB       ARG  49  -3.125  -6.468  -7.041
  391   1HG   ARG  49          1HG       ARG  49  -5.101  -5.992  -9.263
  392   2HG   ARG  49          2HG       ARG  49  -3.352  -5.852  -9.399
  393   1HD   ARG  49          1HD       ARG  49  -3.663  -7.975 -10.197
  394   2HD   ARG  49          2HD       ARG  49  -3.380  -8.309  -8.492
  395    HE   ARG  49           HE       ARG  49  -6.163  -8.000  -9.301
  396   1HH1  ARG  49          1HH1      ARG  49  -3.513 -10.183  -8.618
  397   2HH1  ARG  49          2HH1      ARG  49  -4.533 -11.567  -8.371
  398   1HH2  ARG  49          1HH2      ARG  49  -7.530  -9.816  -8.984
  399   2HH2  ARG  49          2HH2      ARG  49  -6.818 -11.355  -8.599
  400    H    GLN  50           H        GLN  50  -4.161  -8.239  -4.907
  401    HA   GLN  50           HA       GLN  50  -4.348  -6.307  -2.686
  402   1HB   GLN  50          1HB       GLN  50  -4.708  -9.299  -2.668
  403   2HB   GLN  50          2HB       GLN  50  -4.453  -8.355  -1.208
  404   1HG   GLN  50          1HG       GLN  50  -6.489  -7.047  -1.781
  405   2HG   GLN  50          2HG       GLN  50  -6.755  -8.164  -3.125
  406   1HE2  GLN  50          1HE2      GLN  50  -8.829  -8.581  -1.966
  407   2HE2  GLN  50          2HE2      GLN  50  -8.817  -9.761  -0.693
  408    H    GLY  51           H        GLY  51  -2.531  -5.907  -1.574
  409   1HA   GLY  51          1HA       GLY  51  -0.429  -7.569  -1.166
  410   2HA   GLY  51          2HA       GLY  51   0.019  -6.797  -2.616
  411    H    PHE  52           H        PHE  52   1.807  -6.224  -1.082
  412    HA   PHE  52           HA       PHE  52   1.121  -4.193   0.885
  413   1HB   PHE  52          1HB       PHE  52   3.599  -5.801   0.325
  414   2HB   PHE  52          2HB       PHE  52   3.584  -4.462   1.477
  415    HD1  PHE  52           HD1      PHE  52   3.054  -4.876   3.669
  416    HD2  PHE  52           HD2      PHE  52   1.779  -7.639   0.681
  417    HE1  PHE  52           HE1      PHE  52   2.241  -6.394   5.426
  418    HE2  PHE  52           HE2      PHE  52   0.973  -9.160   2.437
  419    HZ   PHE  52           HZ       PHE  52   1.199  -8.543   4.810
  420    H    VAL  53           H        VAL  53   1.998  -2.222   1.016
  421    HA   VAL  53           HA       VAL  53   3.701  -1.180  -1.124
  422    HB   VAL  53           HB       VAL  53   2.368   0.829  -1.369
  423   1HG1  VAL  53          1HG1      VAL  53   0.423  -0.034  -2.502
  424   2HG1  VAL  53          2HG1      VAL  53   0.574  -1.561  -1.631
  425   3HG1  VAL  53          3HG1      VAL  53   1.810  -1.086  -2.798
  426   1HG2  VAL  53          1HG2      VAL  53   0.087   0.952  -0.318
  427   2HG2  VAL  53          2HG2      VAL  53   1.443   1.119   0.800
  428   3HG2  VAL  53          3HG2      VAL  53   0.562  -0.407   0.701
  429    HA   PRO  54           HA       PRO  54   5.831   0.826   2.217
  430   1HB   PRO  54          1HB       PRO  54   5.617   3.359   0.666
  431   2HB   PRO  54          2HB       PRO  54   7.060   2.564   1.314
  432   1HG   PRO  54          1HG       PRO  54   6.548   2.477  -1.283
  433   2HG   PRO  54          2HG       PRO  54   7.145   1.029  -0.447
  434   1HD   PRO  54          1HD       PRO  54   4.357   1.705  -1.312
  435   2HD   PRO  54          2HD       PRO  54   5.218   0.155  -1.411
  436    H    ALA  55           H        ALA  55   4.959   1.464   4.094
  437    HA   ALA  55           HA       ALA  55   2.367   2.584   4.311
  438   1HB   ALA  55          1HB       ALA  55   2.895   2.821   6.695
  439   2HB   ALA  55          2HB       ALA  55   4.581   2.442   6.349
  440   3HB   ALA  55          3HB       ALA  55   3.329   1.226   6.079
  441    H    ALA  56           H        ALA  56   5.482   3.974   3.880
  442    HA   ALA  56           HA       ALA  56   4.796   6.606   4.834
  443   1HB   ALA  56          1HB       ALA  56   7.119   5.645   4.866
  444   2HB   ALA  56          2HB       ALA  56   6.989   7.242   4.132
  445   3HB   ALA  56          3HB       ALA  56   7.144   5.815   3.108
  446    H    TYR  57           H        TYR  57   3.940   4.849   2.195
  447    HA   TYR  57           HA       TYR  57   3.872   7.168   0.363
  448   1HB   TYR  57          1HB       TYR  57   3.748   4.192  -0.090
  449   2HB   TYR  57          2HB       TYR  57   3.127   5.311  -1.302
  450    HD1  TYR  57           HD1      TYR  57   4.560   5.335  -3.088
  451    HD2  TYR  57           HD2      TYR  57   6.200   5.373   0.839
  452    HE1  TYR  57           HE1      TYR  57   6.811   5.547  -4.038
  453    HE2  TYR  57           HE2      TYR  57   8.451   5.604  -0.094
  454    HH   TYR  57           HH       TYR  57   9.690   5.469  -1.968
  455    H    VAL  58           H        VAL  58   2.041   5.825   2.656
  456    HA   VAL  58           HA       VAL  58  -0.441   6.523   1.285
  457    HB   VAL  58           HB       VAL  58   0.373   3.900   1.991
  458   1HG1  VAL  58          1HG1      VAL  58  -1.931   4.917   3.611
  459   2HG1  VAL  58          2HG1      VAL  58  -0.477   4.084   4.166
  460   3HG1  VAL  58          3HG1      VAL  58  -1.694   3.212   3.229
  461   1HG2  VAL  58          1HG2      VAL  58  -0.849   4.561  -0.019
  462   2HG2  VAL  58          2HG2      VAL  58  -2.277   4.886   0.966
  463   3HG2  VAL  58          3HG2      VAL  58  -1.644   3.243   0.843
  464    H    LYS  59           H        LYS  59  -2.099   7.285   2.644
  465    HA   LYS  59           HA       LYS  59  -1.379   7.735   5.459
  466   1HB   LYS  59          1HB       LYS  59  -0.906   9.884   4.823
  467   2HB   LYS  59          2HB       LYS  59  -1.810   9.733   3.325
  468   1HG   LYS  59          1HG       LYS  59  -3.672   9.757   5.466
  469   2HG   LYS  59          2HG       LYS  59  -2.534  11.085   5.700
  470   1HD   LYS  59          1HD       LYS  59  -3.121  12.114   3.720
  471   2HD   LYS  59          2HD       LYS  59  -3.694  10.613   2.988
  472   1HE   LYS  59          1HE       LYS  59  -5.609  11.935   3.438
  473   2HE   LYS  59          2HE       LYS  59  -5.583  10.650   4.642
  474   1HZ   LYS  59          1HZ       LYS  59  -4.840  13.497   5.019
  475   2HZ   LYS  59          2HZ       LYS  59  -4.493  12.296   6.161
  476   3HZ   LYS  59          3HZ       LYS  59  -6.107  12.645   5.765
  477    H    LYS  60           H        LYS  60  -2.995   7.580   6.884
  478    HA   LYS  60           HA       LYS  60  -5.399   6.271   6.273
  479   1HB   LYS  60          1HB       LYS  60  -4.252   7.519   8.675
  480   2HB   LYS  60          2HB       LYS  60  -5.980   7.729   8.575
  481   1HG   LYS  60          1HG       LYS  60  -5.377   5.813   9.934
  482   2HG   LYS  60          2HG       LYS  60  -6.312   5.327   8.528
  483   1HD   LYS  60          1HD       LYS  60  -4.570   4.246   7.589
  484   2HD   LYS  60          2HD       LYS  60  -3.359   5.299   8.295
  485   1HE   LYS  60          1HE       LYS  60  -3.320   2.992   9.248
  486   2HE   LYS  60          2HE       LYS  60  -3.656   4.210  10.451
  487   1HZ   LYS  60          1HZ       LYS  60  -5.611   2.381   9.194
  488   2HZ   LYS  60          2HZ       LYS  60  -6.051   3.686  10.183
  489   3HZ   LYS  60          3HZ       LYS  60  -5.126   2.418  10.814
  490    H    LEU  61           H        LEU  61  -7.205   6.972   5.316
  491    HA   LEU  61           HA       LEU  61  -7.589   9.827   4.900
  492   1HB   LEU  61          1HB       LEU  61  -9.017   7.368   3.951
  493   2HB   LEU  61          2HB       LEU  61  -9.727   8.955   3.741
  494    HG   LEU  61           HG       LEU  61  -7.000   8.259   2.675
  495   1HD1  LEU  61          1HD1      LEU  61  -7.954   7.638   0.635
  496   2HD1  LEU  61          2HD1      LEU  61  -9.546   8.241   1.096
  497   3HD1  LEU  61          3HD1      LEU  61  -8.902   6.784   1.853
  498   1HD2  LEU  61          1HD2      LEU  61  -8.948  10.508   2.302
  499   2HD2  LEU  61          2HD2      LEU  61  -7.762  10.121   1.056
  500   3HD2  LEU  61          3HD2      LEU  61  -7.225  10.581   2.671
  501    H    ASP  62           H        ASP  62  -8.533   7.487   7.107
  502    HA   ASP  62           HA       ASP  62 -10.873   9.026   7.967
  503   1HB   ASP  62          1HB       ASP  62 -11.179   6.579   7.521
  504   2HB   ASP  62          2HB       ASP  62 -10.056   6.251   8.839
  505   1H    ACE   0          1H        ACE   0   4.277 -11.473   1.667
  506   2H    ACE   0          2H        ACE   0   3.281 -11.546   3.119
  507   3H    ACE   0          3H        ACE   0   4.937 -12.138   3.192
  508    H    ALA   1           H        ALA   1   4.500 -10.464   5.078
  509    HA   ALA   1           HA       ALA   1   4.786  -7.706   4.352
  510   1HB   ALA   1          1HB       ALA   1   5.113  -7.342   6.768
  511   2HB   ALA   1          2HB       ALA   1   5.151  -9.090   7.011
  512   3HB   ALA   1          3HB       ALA   1   3.682  -8.313   6.424
  513    HA   PRO   2           HA       PRO   2   9.191  -8.022   3.590
  514   1HB   PRO   2          1HB       PRO   2   8.970  -5.101   3.297
  515   2HB   PRO   2          2HB       PRO   2   9.502  -6.309   2.124
  516   1HG   PRO   2          1HG       PRO   2   7.151  -5.053   1.862
  517   2HG   PRO   2          2HG       PRO   2   7.346  -6.759   1.410
  518   1HD   PRO   2          1HD       PRO   2   6.150  -5.583   3.899
  519   2HD   PRO   2          2HD       PRO   2   5.566  -6.930   2.897
  520    H    SER   3           H        SER   3  10.774  -7.998   5.041
  521    HA   SER   3           HA       SER   3  10.460  -6.342   7.439
  522   1HB   SER   3          1HB       SER   3  12.484  -8.546   7.110
  523   2HB   SER   3          2HB       SER   3  11.751  -7.929   8.590
  524    HG   SER   3           HG       SER   3   9.992  -9.099   8.243
  525    H    TYR   4           H        TYR   4  11.237  -4.812   5.372
  526    HA   TYR   4           HA       TYR   4  13.883  -3.997   6.203
  527   1HB   TYR   4          1HB       TYR   4  14.758  -3.829   3.898
  528   2HB   TYR   4          2HB       TYR   4  14.453  -5.493   4.373
  529    HD1  TYR   4           HD1      TYR   4  13.330  -2.724   2.229
  530    HD2  TYR   4           HD2      TYR   4  12.783  -6.816   3.250
  531    HE1  TYR   4           HE1      TYR   4  11.983  -3.044   0.198
  532    HE2  TYR   4           HE2      TYR   4  11.438  -7.147   1.219
  533    HH   TYR   4           HH       TYR   4  10.252  -6.038  -0.404
  534    H    SER   5           H        SER   5  14.468  -1.873   5.088
  535    HA   SER   5           HA       SER   5  12.226  -0.119   5.410
  536   1HB   SER   5          1HB       SER   5  15.037   0.514   4.489
  537   2HB   SER   5          2HB       SER   5  13.849   1.665   5.104
  538    HG   SER   5           HG       SER   5  13.884   0.119   7.030
  539    HA   PRO   6           HA       PRO   6  10.953  -0.068   1.166
  540   1HB   PRO   6          1HB       PRO   6   9.267   2.043   1.316
  541   2HB   PRO   6          2HB       PRO   6   8.873   0.464   2.006
  542   1HG   PRO   6          1HG       PRO   6   9.914   2.921   3.365
  543   2HG   PRO   6          2HG       PRO   6   8.646   1.801   3.896
  544   1HD   PRO   6          1HD       PRO   6  11.188   1.721   4.844
  545   2HD   PRO   6          2HD       PRO   6  10.160   0.280   4.712
  546    HA   PRO   7           HA       PRO   7  13.347   2.850  -1.126
  547   1HB   PRO   7          1HB       PRO   7  11.496   3.734  -2.988
  548   2HB   PRO   7          2HB       PRO   7  12.439   2.247  -3.121
  549   1HG   PRO   7          1HG       PRO   7   9.626   2.628  -2.184
  550   2HG   PRO   7          2HG       PRO   7  10.311   1.337  -3.190
  551   1HD   PRO   7          1HD       PRO   7   9.783   0.949  -0.596
  552   2HD   PRO   7          2HD       PRO   7  11.210   0.224  -1.368
  553    HA   PRO   8           HA       PRO   8  12.757   6.767   0.859
  554   1HB   PRO   8          1HB       PRO   8  14.018   8.265  -1.148
  555   2HB   PRO   8          2HB       PRO   8  14.794   7.544   0.263
  556   1HG   PRO   8          1HG       PRO   8  14.627   6.528  -2.533
  557   2HG   PRO   8          2HG       PRO   8  15.952   6.399  -1.363
  558   1HD   PRO   8          1HD       PRO   8  14.377   4.309  -1.901
  559   2HD   PRO   8          2HD       PRO   8  14.958   4.615  -0.249
  560    HA   PRO   9           HA       PRO   9   9.023   7.956  -1.367
  561   1HB   PRO   9          1HB       PRO   9   8.101   9.576   0.625
  562   2HB   PRO   9          2HB       PRO   9   7.894   7.823   0.614
  563   1HG   PRO   9          1HG       PRO   9   9.918   9.481   2.064
  564   2HG   PRO   9          2HG       PRO   9   9.004   8.074   2.638
  565   1HD   PRO   9          1HD       PRO   9  11.573   7.893   1.836
  566   2HD   PRO   9          2HD       PRO   9  10.407   6.577   1.588
  567    HA   PRO  10           HA       PRO  10  10.618  11.893  -2.772
  568   1HB   PRO  10          1HB       PRO  10   8.776  11.852  -4.934
  569   2HB   PRO  10          2HB       PRO  10  10.471  11.370  -4.966
  570   1HG   PRO  10          1HG       PRO  10   8.294   9.668  -5.305
  571   2HG   PRO  10          2HG       PRO  10   9.945   9.165  -4.915
  572   1HD   PRO  10          1HD       PRO  10   7.583   9.478  -3.121
  573   2HD   PRO  10          2HD       PRO  10   8.913   8.299  -3.053
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1  -9.687  -8.857  -1.620
    2   2H    MET   1          2H        MET   1 -10.118  -7.737  -2.819
    3   3H    MET   1          3H        MET   1  -9.641  -9.302  -3.258
    4    HA   MET   1           HA       MET   1 -11.971  -9.204  -3.465
    5   1HB   MET   1          1HB       MET   1 -10.654 -10.889  -1.538
    6   2HB   MET   1          2HB       MET   1 -12.310 -10.591  -1.028
    7   1HG   MET   1          1HG       MET   1 -11.444 -11.694  -3.691
    8   2HG   MET   1          2HG       MET   1 -12.154 -12.605  -2.362
    9   1HE   MET   1          1HE       MET   1 -14.045 -13.646  -3.719
   10   2HE   MET   1          2HE       MET   1 -13.416 -12.915  -5.196
   11   3HE   MET   1          3HE       MET   1 -15.127 -12.760  -4.794
   12    H    ASP   2           H        ASP   2 -11.657  -6.658  -2.635
   13    HA   ASP   2           HA       ASP   2 -13.856  -6.391  -0.713
   14   1HB   ASP   2          1HB       ASP   2 -11.421  -6.000   0.277
   15   2HB   ASP   2          2HB       ASP   2 -11.603  -4.432  -0.507
   16    H    GLU   3           H        GLU   3 -14.198  -3.761  -0.611
   17    HA   GLU   3           HA       GLU   3 -13.921  -2.596  -3.286
   18   1HB   GLU   3          1HB       GLU   3 -16.181  -4.035  -2.824
   19   2HB   GLU   3          2HB       GLU   3 -16.682  -2.452  -2.223
   20   1HG   GLU   3          1HG       GLU   3 -15.942  -1.496  -4.414
   21   2HG   GLU   3          2HG       GLU   3 -15.717  -3.150  -4.984
   22    H    THR   4           H        THR   4 -12.539  -1.600  -1.397
   23    HA   THR   4           HA       THR   4 -12.112   0.050   0.119
   24    HB   THR   4           HB       THR   4 -13.040   2.293  -0.471
   25    HG1  THR   4           HG1      THR   4 -14.948   0.883  -1.608
   26   1HG2  THR   4          1HG2      THR   4 -11.985   2.493  -2.658
   27   2HG2  THR   4          2HG2      THR   4 -12.005   0.743  -2.849
   28   3HG2  THR   4          3HG2      THR   4 -11.011   1.482  -1.592
   29    H    GLY   5           H        GLY   5 -13.970  -1.743   1.153
   30   1HA   GLY   5          1HA       GLY   5 -15.896   0.021   2.537
   31   2HA   GLY   5          2HA       GLY   5 -16.122  -1.704   2.290
   32    H    LYS   6           H        LYS   6 -13.666   0.438   3.687
   33    HA   LYS   6           HA       LYS   6 -13.892  -0.225   6.335
   34   1HB   LYS   6          1HB       LYS   6 -12.079  -1.823   6.736
   35   2HB   LYS   6          2HB       LYS   6 -13.354  -2.534   5.760
   36   1HG   LYS   6          1HG       LYS   6 -11.930  -2.010   3.742
   37   2HG   LYS   6          2HG       LYS   6 -10.638  -1.622   4.881
   38   1HD   LYS   6          1HD       LYS   6 -10.837  -4.026   3.843
   39   2HD   LYS   6          2HD       LYS   6 -10.354  -3.804   5.524
   40   1HE   LYS   6          1HE       LYS   6 -12.003  -5.591   5.314
   41   2HE   LYS   6          2HE       LYS   6 -12.649  -4.244   6.247
   42   1HZ   LYS   6          1HZ       LYS   6 -14.277  -5.089   4.679
   43   2HZ   LYS   6          2HZ       LYS   6 -13.226  -4.809   3.379
   44   3HZ   LYS   6          3HZ       LYS   6 -13.845  -3.506   4.271
   45    H    GLU   7           H        GLU   7 -11.056  -0.459   6.857
   46    HA   GLU   7           HA       GLU   7 -10.295   2.167   7.115
   47   1HB   GLU   7          1HB       GLU   7  -9.091  -0.390   7.476
   48   2HB   GLU   7          2HB       GLU   7  -7.939   0.635   6.642
   49   1HG   GLU   7          1HG       GLU   7  -9.111   0.934   9.361
   50   2HG   GLU   7          2HG       GLU   7  -7.428   0.977   8.859
   51    H    LEU   8           H        LEU   8  -9.799   3.696   5.671
   52    HA   LEU   8           HA       LEU   8  -8.796   2.806   3.055
   53   1HB   LEU   8          1HB       LEU   8 -10.498   5.192   3.725
   54   2HB   LEU   8          2HB       LEU   8  -9.787   4.894   2.146
   55    HG   LEU   8           HG       LEU   8 -11.645   2.981   3.512
   56   1HD1  LEU   8          1HD1      LEU   8 -13.369   3.796   1.914
   57   2HD1  LEU   8          2HD1      LEU   8 -12.281   5.113   1.477
   58   3HD1  LEU   8          3HD1      LEU   8 -12.906   4.992   3.123
   59   1HD2  LEU   8          1HD2      LEU   8 -11.884   2.016   1.271
   60   2HD2  LEU   8          2HD2      LEU   8 -10.223   1.947   1.859
   61   3HD2  LEU   8          3HD2      LEU   8 -10.687   3.161   0.666
   62    H    VAL   9           H        VAL   9  -7.290   3.978   2.015
   63    HA   VAL   9           HA       VAL   9  -5.865   6.043   3.535
   64    HB   VAL   9           HB       VAL   9  -3.713   4.965   2.554
   65   1HG1  VAL   9          1HG1      VAL   9  -3.664   3.382   4.581
   66   2HG1  VAL   9          2HG1      VAL   9  -5.250   4.071   4.948
   67   3HG1  VAL   9          3HG1      VAL   9  -3.832   5.119   4.842
   68   1HG2  VAL   9          1HG2      VAL   9  -5.545   2.578   2.649
   69   2HG2  VAL   9          2HG2      VAL   9  -3.796   2.527   2.430
   70   3HG2  VAL   9          3HG2      VAL   9  -4.815   3.281   1.206
   71    H    LEU  10           H        LEU  10  -4.377   7.275   2.241
   72    HA   LEU  10           HA       LEU  10  -5.271   7.492  -0.561
   73   1HB   LEU  10          1HB       LEU  10  -5.831   9.472   0.683
   74   2HB   LEU  10          2HB       LEU  10  -4.218   9.559   1.366
   75    HG   LEU  10           HG       LEU  10  -3.531   9.789  -1.187
   76   1HD1  LEU  10          1HD1      LEU  10  -5.240  11.252  -2.311
   77   2HD1  LEU  10          2HD1      LEU  10  -6.390  10.713  -1.089
   78   3HD1  LEU  10          3HD1      LEU  10  -5.661   9.542  -2.189
   79   1HD2  LEU  10          1HD2      LEU  10  -3.520  12.195  -0.885
   80   2HD2  LEU  10          2HD2      LEU  10  -3.054  11.384   0.611
   81   3HD2  LEU  10          3HD2      LEU  10  -4.677  12.055   0.436
   82    H    ALA  11           H        ALA  11  -3.766   7.399  -2.166
   83    HA   ALA  11           HA       ALA  11  -1.104   6.557  -1.422
   84   1HB   ALA  11          1HB       ALA  11  -1.196   6.886  -4.205
   85   2HB   ALA  11          2HB       ALA  11  -2.807   6.334  -3.746
   86   3HB   ALA  11          3HB       ALA  11  -1.390   5.383  -3.302
   87    H    LEU  12           H        LEU  12   0.284   8.103  -0.827
   88    HA   LEU  12           HA       LEU  12   0.152  10.805  -1.653
   89   1HB   LEU  12          1HB       LEU  12   2.136   9.182  -0.102
   90   2HB   LEU  12          2HB       LEU  12   2.494  10.842  -0.569
   91    HG   LEU  12           HG       LEU  12   0.359  11.512   0.582
   92   1HD1  LEU  12          1HD1      LEU  12   0.538   8.727   1.684
   93   2HD1  LEU  12          2HD1      LEU  12  -0.725   9.364   0.629
   94   3HD1  LEU  12          3HD1      LEU  12  -0.537  10.000   2.263
   95   1HD2  LEU  12          1HD2      LEU  12   1.362  11.415   2.845
   96   2HD2  LEU  12          2HD2      LEU  12   2.531  11.908   1.617
   97   3HD2  LEU  12          3HD2      LEU  12   2.550  10.259   2.242
   98    H    TYR  13           H        TYR  13   2.050   8.050  -2.745
   99    HA   TYR  13           HA       TYR  13   3.049   9.711  -4.943
  100   1HB   TYR  13          1HB       TYR  13   4.949   7.750  -3.709
  101   2HB   TYR  13          2HB       TYR  13   5.299   9.190  -4.650
  102    HD1  TYR  13           HD1      TYR  13   5.163  11.433  -3.561
  103    HD2  TYR  13           HD2      TYR  13   4.830   7.821  -1.339
  104    HE1  TYR  13           HE1      TYR  13   5.634  12.674  -1.493
  105    HE2  TYR  13           HE2      TYR  13   5.291   9.055   0.741
  106    HH   TYR  13           HH       TYR  13   5.368  12.517   0.848
  107    H    ASP  14           H        ASP  14   4.114   8.281  -6.626
  108    HA   ASP  14           HA       ASP  14   2.368   6.069  -7.175
  109   1HB   ASP  14          1HB       ASP  14   3.545   5.971  -9.347
  110   2HB   ASP  14          2HB       ASP  14   2.997   7.609  -9.004
  111    H    TYR  15           H        TYR  15   2.940   3.982  -7.141
  112    HA   TYR  15           HA       TYR  15   5.696   3.277  -6.480
  113   1HB   TYR  15          1HB       TYR  15   4.656   3.445  -4.299
  114   2HB   TYR  15          2HB       TYR  15   3.293   2.460  -4.827
  115    HD1  TYR  15           HD1      TYR  15   3.315   0.196  -4.306
  116    HD2  TYR  15           HD2      TYR  15   7.004   2.293  -4.581
  117    HE1  TYR  15           HE1      TYR  15   4.518  -1.839  -3.630
  118    HE2  TYR  15           HE2      TYR  15   8.210   0.272  -3.907
  119    HH   TYR  15           HH       TYR  15   6.703  -2.813  -3.741
  120    H    GLN  16           H        GLN  16   6.325   1.305  -7.257
  121    HA   GLN  16           HA       GLN  16   4.266  -0.226  -8.712
  122   1HB   GLN  16          1HB       GLN  16   6.062   1.026 -10.080
  123   2HB   GLN  16          2HB       GLN  16   7.177  -0.193  -9.475
  124   1HG   GLN  16          1HG       GLN  16   6.579  -1.454 -11.191
  125   2HG   GLN  16          2HG       GLN  16   5.010  -1.645 -10.411
  126   1HE2  GLN  16          1HE2      GLN  16   4.519   1.292 -10.801
  127   2HE2  GLN  16          2HE2      GLN  16   4.043   1.433 -12.458
  128    H    GLU  17           H        GLU  17   4.154  -2.364  -8.318
  129    HA   GLU  17           HA       GLU  17   5.197  -3.442  -5.976
  130   1HB   GLU  17          1HB       GLU  17   4.443  -5.632  -6.898
  131   2HB   GLU  17          2HB       GLU  17   3.227  -4.364  -6.990
  132   1HG   GLU  17          1HG       GLU  17   4.224  -4.037  -9.398
  133   2HG   GLU  17          2HG       GLU  17   4.742  -5.706  -9.161
  134    H    LYS  18           H        LYS  18   7.057  -4.450  -5.425
  135    HA   LYS  18           HA       LYS  18   9.042  -4.800  -7.574
  136   1HB   LYS  18          1HB       LYS  18   9.492  -4.823  -4.585
  137   2HB   LYS  18          2HB       LYS  18  10.733  -4.840  -5.829
  138   1HG   LYS  18          1HG       LYS  18  10.111  -2.579  -6.514
  139   2HG   LYS  18          2HG       LYS  18   8.801  -2.567  -5.332
  140   1HD   LYS  18          1HD       LYS  18  11.676  -2.995  -4.537
  141   2HD   LYS  18          2HD       LYS  18  10.962  -1.389  -4.673
  142   1HE   LYS  18          1HE       LYS  18  10.869  -2.101  -2.367
  143   2HE   LYS  18          2HE       LYS  18   9.235  -2.054  -3.025
  144   1HZ   LYS  18          1HZ       LYS  18  10.773  -4.580  -2.997
  145   2HZ   LYS  18          2HZ       LYS  18   9.092  -4.355  -3.062
  146   3HZ   LYS  18          3HZ       LYS  18   9.934  -4.067  -1.620
  147    H    SER  19           H        SER  19   7.224  -6.517  -5.145
  148    HA   SER  19           HA       SER  19   8.367  -9.032  -6.143
  149   1HB   SER  19          1HB       SER  19   8.500  -9.937  -3.966
  150   2HB   SER  19          2HB       SER  19   9.115  -8.289  -3.782
  151    HG   SER  19           HG       SER  19   7.365  -7.721  -2.676
  152    HA   PRO  20           HA       PRO  20   4.241 -10.534  -6.749
  153   1HB   PRO  20          1HB       PRO  20   4.800 -12.836  -4.954
  154   2HB   PRO  20          2HB       PRO  20   4.294 -12.832  -6.650
  155   1HG   PRO  20          1HG       PRO  20   6.777 -13.456  -6.039
  156   2HG   PRO  20          2HG       PRO  20   6.466 -12.363  -7.405
  157   1HD   PRO  20          1HD       PRO  20   7.266 -11.678  -4.592
  158   2HD   PRO  20          2HD       PRO  20   7.967 -11.092  -6.121
  159    H    ALA  21           H        ALA  21   5.287  -9.829  -3.580
  160    HA   ALA  21           HA       ALA  21   2.584 -10.188  -2.493
  161   1HB   ALA  21          1HB       ALA  21   3.657  -9.810  -0.275
  162   2HB   ALA  21          2HB       ALA  21   5.221  -9.770  -1.094
  163   3HB   ALA  21          3HB       ALA  21   4.246 -11.240  -1.123
  164    H    GLU  22           H        GLU  22   3.766  -8.019  -4.278
  165    HA   GLU  22           HA       GLU  22   2.961  -5.733  -2.605
  166   1HB   GLU  22          1HB       GLU  22   5.285  -6.049  -4.449
  167   2HB   GLU  22          2HB       GLU  22   4.482  -4.490  -4.421
  168   1HG   GLU  22          1HG       GLU  22   5.442  -3.930  -2.502
  169   2HG   GLU  22          2HG       GLU  22   5.036  -5.473  -1.746
  170    H    VAL  23           H        VAL  23   1.999  -3.943  -3.784
  171    HA   VAL  23           HA       VAL  23   0.878  -4.700  -6.387
  172    HB   VAL  23           HB       VAL  23  -1.234  -3.400  -5.624
  173   1HG1  VAL  23          1HG1      VAL  23  -0.653  -6.187  -4.684
  174   2HG1  VAL  23          2HG1      VAL  23  -1.338  -5.700  -6.236
  175   3HG1  VAL  23          3HG1      VAL  23  -2.260  -5.464  -4.754
  176   1HG2  VAL  23          1HG2      VAL  23   0.212  -3.611  -3.130
  177   2HG2  VAL  23          2HG2      VAL  23  -1.406  -4.298  -3.025
  178   3HG2  VAL  23          3HG2      VAL  23  -1.189  -2.629  -3.546
  179    H    THR  24           H        THR  24   0.451  -3.021  -7.786
  180    HA   THR  24           HA       THR  24   2.105  -0.690  -7.362
  181    HB   THR  24           HB       THR  24   0.477  -1.599  -9.743
  182    HG1  THR  24           HG1      THR  24   2.152  -2.956  -9.668
  183   1HG2  THR  24          1HG2      THR  24   0.770   0.825  -9.813
  184   2HG2  THR  24          2HG2      THR  24   1.779   0.047 -11.032
  185   3HG2  THR  24          3HG2      THR  24   2.500   0.636  -9.534
  186    H    MET  25           H        MET  25   1.443   1.333  -6.947
  187    HA   MET  25           HA       MET  25  -1.432   1.926  -7.085
  188   1HB   MET  25          1HB       MET  25  -1.372   3.130  -4.993
  189   2HB   MET  25          2HB       MET  25  -0.777   1.492  -4.716
  190   1HG   MET  25          1HG       MET  25   1.431   2.212  -4.467
  191   2HG   MET  25          2HG       MET  25   1.098   3.768  -5.233
  192   1HE   MET  25          1HE       MET  25  -0.901   2.880  -1.187
  193   2HE   MET  25          2HE       MET  25  -0.093   1.601  -2.093
  194   3HE   MET  25          3HE       MET  25  -1.510   2.401  -2.770
  195    H    LYS  26           H        LYS  26  -1.914   4.219  -7.247
  196    HA   LYS  26           HA       LYS  26   0.327   5.761  -8.363
  197   1HB   LYS  26          1HB       LYS  26  -2.479   5.591  -9.491
  198   2HB   LYS  26          2HB       LYS  26  -1.299   6.802  -9.969
  199   1HG   LYS  26          1HG       LYS  26  -0.972   5.282 -11.623
  200   2HG   LYS  26          2HG       LYS  26   0.187   4.675 -10.441
  201   1HD   LYS  26          1HD       LYS  26  -1.444   3.037  -9.665
  202   2HD   LYS  26          2HD       LYS  26  -2.630   3.658 -10.813
  203   1HE   LYS  26          1HE       LYS  26  -1.062   3.065 -12.654
  204   2HE   LYS  26          2HE       LYS  26  -0.010   2.313 -11.458
  205   1HZ   LYS  26          1HZ       LYS  26  -2.750   1.426 -11.329
  206   2HZ   LYS  26          2HZ       LYS  26  -1.319   0.519 -11.327
  207   3HZ   LYS  26          3HZ       LYS  26  -1.982   1.050 -12.790
  208    H    LYS  27           H        LYS  27   0.351   7.941  -7.983
  209    HA   LYS  27           HA       LYS  27  -0.683   8.864  -5.563
  210   1HB   LYS  27          1HB       LYS  27   1.136  10.100  -6.297
  211   2HB   LYS  27          2HB       LYS  27   0.559  10.174  -7.954
  212   1HG   LYS  27          1HG       LYS  27   0.317  12.351  -7.274
  213   2HG   LYS  27          2HG       LYS  27  -1.293  11.708  -6.959
  214   1HD   LYS  27          1HD       LYS  27  -0.843  11.505  -4.632
  215   2HD   LYS  27          2HD       LYS  27   0.871  11.850  -4.873
  216   1HE   LYS  27          1HE       LYS  27   0.119  14.098  -5.802
  217   2HE   LYS  27          2HE       LYS  27  -1.465  13.722  -5.127
  218   1HZ   LYS  27          1HZ       LYS  27  -0.269  15.030  -3.560
  219   2HZ   LYS  27          2HZ       LYS  27   1.088  14.017  -3.641
  220   3HZ   LYS  27          3HZ       LYS  27  -0.346  13.454  -2.941
  221    H    GLY  28           H        GLY  28  -2.651   9.467  -4.976
  222   1HA   GLY  28          1HA       GLY  28  -4.609  10.869  -5.306
  223   2HA   GLY  28          2HA       GLY  28  -4.452  10.583  -7.037
  224    H    ASP  29           H        ASP  29  -3.916   7.663  -5.623
  225    HA   ASP  29           HA       ASP  29  -6.654   6.837  -6.178
  226   1HB   ASP  29          1HB       ASP  29  -4.179   5.657  -6.735
  227   2HB   ASP  29          2HB       ASP  29  -4.860   4.686  -5.429
  228    H    ILE  30           H        ILE  30  -7.901   5.687  -4.726
  229    HA   ILE  30           HA       ILE  30  -7.115   6.032  -1.925
  230    HB   ILE  30           HB       ILE  30  -9.790   5.718  -3.278
  231   1HG1  ILE  30          1HG1      ILE  30 -10.367   7.727  -2.004
  232   2HG1  ILE  30          2HG1      ILE  30  -8.807   7.699  -1.198
  233   1HG2  ILE  30          1HG2      ILE  30  -9.283   5.374  -0.323
  234   2HG2  ILE  30          2HG2      ILE  30  -9.816   4.120  -1.445
  235   3HG2  ILE  30          3HG2      ILE  30 -10.868   5.490  -1.091
  236   1HD1  ILE  30          1HD1      ILE  30  -8.798   9.382  -2.904
  237   2HD1  ILE  30          2HD1      ILE  30  -9.336   8.222  -4.117
  238   3HD1  ILE  30          3HD1      ILE  30  -7.727   8.072  -3.407
  239    H    LEU  31           H        LEU  31  -6.252   4.364  -0.988
  240    HA   LEU  31           HA       LEU  31  -6.688   1.687  -2.087
  241   1HB   LEU  31          1HB       LEU  31  -4.583   2.950  -0.400
  242   2HB   LEU  31          2HB       LEU  31  -4.804   1.222  -0.315
  243    HG   LEU  31           HG       LEU  31  -2.986   1.957  -1.847
  244   1HD1  LEU  31          1HD1      LEU  31  -5.273   0.444  -3.084
  245   2HD1  LEU  31          2HD1      LEU  31  -3.973  -0.221  -2.093
  246   3HD1  LEU  31          3HD1      LEU  31  -3.614   0.455  -3.682
  247   1HD2  LEU  31          1HD2      LEU  31  -5.263   3.013  -3.520
  248   2HD2  LEU  31          2HD2      LEU  31  -3.587   2.857  -4.047
  249   3HD2  LEU  31          3HD2      LEU  31  -4.002   3.975  -2.748
  250    H    THR  32           H        THR  32  -7.301  -0.027  -0.813
  251    HA   THR  32           HA       THR  32  -8.722   0.678   1.635
  252    HB   THR  32           HB       THR  32  -8.855  -1.944   0.148
  253    HG1  THR  32           HG1      THR  32 -10.258  -1.049  -1.209
  254   1HG2  THR  32          1HG2      THR  32 -10.348  -0.635   2.370
  255   2HG2  THR  32          2HG2      THR  32  -9.858  -2.324   2.182
  256   3HG2  THR  32          3HG2      THR  32 -11.234  -1.696   1.270
  257    H    LEU  33           H        LEU  33  -7.832   0.226   3.524
  258    HA   LEU  33           HA       LEU  33  -5.345  -1.185   3.683
  259   1HB   LEU  33          1HB       LEU  33  -6.981   0.459   5.429
  260   2HB   LEU  33          2HB       LEU  33  -6.273  -0.903   6.272
  261    HG   LEU  33           HG       LEU  33  -4.807   1.256   4.770
  262   1HD1  LEU  33          1HD1      LEU  33  -3.961   1.886   6.924
  263   2HD1  LEU  33          2HD1      LEU  33  -4.759   0.517   7.691
  264   3HD1  LEU  33          3HD1      LEU  33  -5.724   1.829   7.010
  265   1HD2  LEU  33          1HD2      LEU  33  -3.624  -0.811   4.425
  266   2HD2  LEU  33          2HD2      LEU  33  -3.744  -1.212   6.138
  267   3HD2  LEU  33          3HD2      LEU  33  -2.758   0.156   5.617
  268    H    LEU  34           H        LEU  34  -5.120  -3.273   3.807
  269    HA   LEU  34           HA       LEU  34  -7.342  -4.927   4.772
  270   1HB   LEU  34          1HB       LEU  34  -4.832  -5.807   3.341
  271   2HB   LEU  34          2HB       LEU  34  -6.272  -6.757   3.627
  272    HG   LEU  34           HG       LEU  34  -6.124  -4.337   1.832
  273   1HD1  LEU  34          1HD1      LEU  34  -6.326  -5.926   0.004
  274   2HD1  LEU  34          2HD1      LEU  34  -6.300  -7.266   1.151
  275   3HD1  LEU  34          3HD1      LEU  34  -4.878  -6.243   0.956
  276   1HD2  LEU  34          1HD2      LEU  34  -8.358  -5.189   1.060
  277   2HD2  LEU  34          2HD2      LEU  34  -8.337  -4.502   2.684
  278   3HD2  LEU  34          3HD2      LEU  34  -8.358  -6.254   2.467
  279    H    ASN  35           H        ASN  35  -3.948  -4.193   5.240
  280    HA   ASN  35           HA       ASN  35  -4.074  -5.136   7.969
  281   1HB   ASN  35          1HB       ASN  35  -3.445  -7.158   6.595
  282   2HB   ASN  35          2HB       ASN  35  -1.982  -6.302   6.128
  283   1HD2  ASN  35          1HD2      ASN  35  -3.609  -8.045   8.594
  284   2HD2  ASN  35          2HD2      ASN  35  -2.301  -8.088   9.729
  285    H    SER  36           H        SER  36  -2.629  -4.070   9.273
  286    HA   SER  36           HA       SER  36  -0.546  -2.454   8.015
  287   1HB   SER  36          1HB       SER  36  -1.377  -0.561   9.639
  288   2HB   SER  36          2HB       SER  36  -2.177  -0.784   8.074
  289    HG   SER  36           HG       SER  36  -3.697  -2.170   9.258
  290    H    THR  37           H        THR  37  -0.406  -4.847   9.614
  291    HA   THR  37           HA       THR  37   0.231  -4.135  12.316
  292    HB   THR  37           HB       THR  37  -0.552  -6.409  11.567
  293    HG1  THR  37           HG1      THR  37   0.559  -5.913  13.624
  294   1HG2  THR  37          1HG2      THR  37   2.314  -6.672  10.653
  295   2HG2  THR  37          2HG2      THR  37   0.875  -6.746   9.634
  296   3HG2  THR  37          3HG2      THR  37   1.176  -8.009  10.828
  297    H    ASN  38           H        ASN  38   1.794  -3.660   9.453
  298    HA   ASN  38           HA       ASN  38   4.489  -3.719  10.632
  299   1HB   ASN  38          1HB       ASN  38   4.022  -5.016   8.523
  300   2HB   ASN  38          2HB       ASN  38   3.662  -3.500   7.725
  301   1HD2  ASN  38          1HD2      ASN  38   5.669  -5.466   7.050
  302   2HD2  ASN  38          2HD2      ASN  38   7.197  -4.663   7.117
  303    H    LYS  39           H        LYS  39   5.791  -1.747  10.373
  304    HA   LYS  39           HA       LYS  39   4.048   0.605  10.201
  305   1HB   LYS  39          1HB       LYS  39   5.725   1.832  11.429
  306   2HB   LYS  39          2HB       LYS  39   5.272   0.379  12.300
  307   1HG   LYS  39          1HG       LYS  39   7.330  -0.658  11.837
  308   2HG   LYS  39          2HG       LYS  39   7.728   0.511  10.576
  309   1HD   LYS  39          1HD       LYS  39   7.509   1.106  13.523
  310   2HD   LYS  39          2HD       LYS  39   9.011   0.925  12.613
  311   1HE   LYS  39          1HE       LYS  39   8.300   2.823  11.173
  312   2HE   LYS  39          2HE       LYS  39   6.900   3.044  12.221
  313   1HZ   LYS  39          1HZ       LYS  39   9.757   3.338  12.973
  314   2HZ   LYS  39          2HZ       LYS  39   8.478   3.378  14.085
  315   3HZ   LYS  39          3HZ       LYS  39   8.588   4.563  12.878
  316    H    ASP  40           H        ASP  40   6.292  -1.013   8.326
  317    HA   ASP  40           HA       ASP  40   6.940   1.465   6.863
  318   1HB   ASP  40          1HB       ASP  40   8.429  -1.127   7.152
  319   2HB   ASP  40          2HB       ASP  40   8.709  -0.067   5.773
  320    H    TRP  41           H        TRP  41   5.309  -1.531   6.716
  321    HA   TRP  41           HA       TRP  41   4.657  -1.066   3.898
  322   1HB   TRP  41          1HB       TRP  41   5.532  -3.679   5.140
  323   2HB   TRP  41          2HB       TRP  41   4.717  -3.578   3.593
  324    HD1  TRP  41           HD1      TRP  41   8.066  -2.908   5.256
  325    HE1  TRP  41           HE1      TRP  41   9.839  -2.492   3.428
  326    HE3  TRP  41           HE3      TRP  41   4.996  -2.652   1.189
  327    HZ2  TRP  41           HZ2      TRP  41   9.912  -2.086   0.641
  328    HZ3  TRP  41           HZ3      TRP  41   5.992  -2.244  -1.023
  329    HH2  TRP  41           HH2      TRP  41   8.397  -1.969  -1.286
  330    H    TRP  42           H        TRP  42   2.535  -1.160   3.489
  331    HA   TRP  42           HA       TRP  42   0.787  -2.423   5.503
  332   1HB   TRP  42          1HB       TRP  42   0.507   0.197   4.045
  333   2HB   TRP  42          2HB       TRP  42  -0.919  -0.650   4.652
  334    HD1  TRP  42           HD1      TRP  42   1.732  -1.286   7.048
  335    HE1  TRP  42           HE1      TRP  42   1.576   0.275   9.072
  336    HE3  TRP  42           HE3      TRP  42  -1.471   2.178   5.142
  337    HZ2  TRP  42           HZ2      TRP  42   0.279   2.686   9.754
  338    HZ3  TRP  42           HZ3      TRP  42  -2.129   4.096   6.541
  339    HH2  TRP  42           HH2      TRP  42  -1.264   4.340   8.797
  340    H    LYS  43           H        LYS  43  -0.794  -3.773   4.735
  341    HA   LYS  43           HA       LYS  43  -0.642  -4.415   1.895
  342   1HB   LYS  43          1HB       LYS  43  -0.630  -6.259   3.592
  343   2HB   LYS  43          2HB       LYS  43  -2.264  -5.794   4.050
  344   1HG   LYS  43          1HG       LYS  43  -3.068  -6.296   1.805
  345   2HG   LYS  43          2HG       LYS  43  -1.431  -6.707   1.299
  346   1HD   LYS  43          1HD       LYS  43  -3.255  -8.519   2.126
  347   2HD   LYS  43          2HD       LYS  43  -1.516  -8.752   2.232
  348   1HE   LYS  43          1HE       LYS  43  -1.610  -7.825   4.550
  349   2HE   LYS  43          2HE       LYS  43  -3.375  -7.820   4.420
  350   1HZ   LYS  43          1HZ       LYS  43  -3.382 -10.178   4.161
  351   2HZ   LYS  43          2HZ       LYS  43  -2.457  -9.809   5.539
  352   3HZ   LYS  43          3HZ       LYS  43  -1.687 -10.244   4.092
  353    H    VAL  44           H        VAL  44  -2.022  -3.649   0.484
  354    HA   VAL  44           HA       VAL  44  -4.694  -2.814   1.368
  355    HB   VAL  44           HB       VAL  44  -4.475  -0.833  -0.195
  356   1HG1  VAL  44          1HG1      VAL  44  -4.411  -0.622   2.266
  357   2HG1  VAL  44          2HG1      VAL  44  -3.425   0.591   1.450
  358   3HG1  VAL  44          3HG1      VAL  44  -2.656  -0.803   2.211
  359   1HG2  VAL  44          1HG2      VAL  44  -1.545  -1.481   0.068
  360   2HG2  VAL  44          2HG2      VAL  44  -2.217  -0.020  -0.657
  361   3HG2  VAL  44          3HG2      VAL  44  -2.504  -1.590  -1.407
  362    H    GLU  45           H        GLU  45  -6.108  -2.356  -0.582
  363    HA   GLU  45           HA       GLU  45  -5.411  -4.168  -2.794
  364   1HB   GLU  45          1HB       GLU  45  -7.207  -5.096  -1.353
  365   2HB   GLU  45          2HB       GLU  45  -8.174  -3.658  -1.655
  366   1HG   GLU  45          1HG       GLU  45  -7.808  -4.345  -4.169
  367   2HG   GLU  45          2HG       GLU  45  -7.543  -5.935  -3.462
  368    H    VAL  46           H        VAL  46  -5.416  -3.302  -4.753
  369    HA   VAL  46           HA       VAL  46  -6.800  -0.716  -5.169
  370    HB   VAL  46           HB       VAL  46  -4.956  -1.127  -7.259
  371   1HG1  VAL  46          1HG1      VAL  46  -4.478   0.806  -5.043
  372   2HG1  VAL  46          2HG1      VAL  46  -5.882   0.966  -6.101
  373   3HG1  VAL  46          3HG1      VAL  46  -4.258   1.005  -6.781
  374   1HG2  VAL  46          1HG2      VAL  46  -2.802  -1.163  -6.089
  375   2HG2  VAL  46          2HG2      VAL  46  -3.714  -2.662  -5.894
  376   3HG2  VAL  46          3HG2      VAL  46  -3.649  -1.491  -4.575
  377    H    ASN  47           H        ASN  47  -8.414  -0.884  -6.526
  378    HA   ASN  47           HA       ASN  47  -9.871  -1.501  -8.083
  379   1HB   ASN  47          1HB       ASN  47  -9.050  -2.272 -10.250
  380   2HB   ASN  47          2HB       ASN  47  -8.178  -0.901  -9.664
  381   1HD2  ASN  47          1HD2      ASN  47  -5.969  -1.022  -9.478
  382   2HD2  ASN  47          2HD2      ASN  47  -5.065  -2.445  -9.865
  383    H    ASP  48           H        ASP  48  -7.593  -4.093  -7.754
  384    HA   ASP  48           HA       ASP  48  -9.545  -5.937  -6.748
  385   1HB   ASP  48          1HB       ASP  48 -10.045  -5.933  -9.228
  386   2HB   ASP  48          2HB       ASP  48  -8.431  -6.591  -9.485
  387    H    ARG  49           H        ARG  49  -6.392  -4.950  -7.354
  388    HA   ARG  49           HA       ARG  49  -5.202  -7.565  -6.851
  389   1HB   ARG  49          1HB       ARG  49  -3.929  -4.897  -7.474
  390   2HB   ARG  49          2HB       ARG  49  -3.045  -6.392  -7.229
  391   1HG   ARG  49          1HG       ARG  49  -5.031  -5.873  -9.438
  392   2HG   ARG  49          2HG       ARG  49  -3.278  -5.845  -9.592
  393   1HD   ARG  49          1HD       ARG  49  -3.777  -7.957 -10.351
  394   2HD   ARG  49          2HD       ARG  49  -3.425  -8.264  -8.653
  395    HE   ARG  49           HE       ARG  49  -6.188  -7.959  -9.658
  396   1HH1  ARG  49          1HH1      ARG  49  -3.764  -9.696  -7.819
  397   2HH1  ARG  49          2HH1      ARG  49  -4.902 -10.849  -7.183
  398   1HH2  ARG  49          1HH2      ARG  49  -7.685  -9.477  -8.810
  399   2HH2  ARG  49          2HH2      ARG  49  -7.110 -10.717  -7.731
  400    H    GLN  50           H        GLN  50  -4.471  -8.189  -4.946
  401    HA   GLN  50           HA       GLN  50  -4.428  -6.203  -2.773
  402   1HB   GLN  50          1HB       GLN  50  -4.690  -9.211  -2.679
  403   2HB   GLN  50          2HB       GLN  50  -4.576  -8.178  -1.266
  404   1HG   GLN  50          1HG       GLN  50  -6.653  -7.019  -2.144
  405   2HG   GLN  50          2HG       GLN  50  -6.809  -8.383  -3.251
  406   1HE2  GLN  50          1HE2      GLN  50  -5.576 -10.142  -1.197
  407   2HE2  GLN  50          2HE2      GLN  50  -6.848 -10.481  -0.074
  408    H    GLY  51           H        GLY  51  -2.627  -5.949  -1.542
  409   1HA   GLY  51          1HA       GLY  51  -0.549  -7.620  -1.212
  410   2HA   GLY  51          2HA       GLY  51  -0.084  -6.821  -2.640
  411    H    PHE  52           H        PHE  52   1.714  -6.250  -1.140
  412    HA   PHE  52           HA       PHE  52   1.001  -4.272   0.873
  413   1HB   PHE  52          1HB       PHE  52   3.511  -5.826   0.297
  414   2HB   PHE  52          2HB       PHE  52   3.439  -4.530   1.486
  415    HD1  PHE  52           HD1      PHE  52   2.839  -4.984   3.656
  416    HD2  PHE  52           HD2      PHE  52   1.789  -7.749   0.577
  417    HE1  PHE  52           HE1      PHE  52   2.058  -6.578   5.362
  418    HE2  PHE  52           HE2      PHE  52   1.012  -9.346   2.291
  419    HZ   PHE  52           HZ       PHE  52   1.147  -8.763   4.680
  420    H    VAL  53           H        VAL  53   1.841  -2.283   1.011
  421    HA   VAL  53           HA       VAL  53   3.518  -1.228  -1.141
  422    HB   VAL  53           HB       VAL  53   2.184   0.787  -1.348
  423   1HG1  VAL  53          1HG1      VAL  53   0.433  -1.634  -1.634
  424   2HG1  VAL  53          2HG1      VAL  53   1.602  -1.055  -2.822
  425   3HG1  VAL  53          3HG1      VAL  53   0.188  -0.078  -2.427
  426   1HG2  VAL  53          1HG2      VAL  53  -0.099   0.856  -0.263
  427   2HG2  VAL  53          2HG2      VAL  53   1.284   1.088   0.808
  428   3HG2  VAL  53          3HG2      VAL  53   0.452  -0.468   0.764
  429    HA   PRO  54           HA       PRO  54   5.711   0.723   2.169
  430   1HB   PRO  54          1HB       PRO  54   5.522   3.267   0.642
  431   2HB   PRO  54          2HB       PRO  54   6.958   2.433   1.253
  432   1HG   PRO  54          1HG       PRO  54   6.377   2.390  -1.342
  433   2HG   PRO  54          2HG       PRO  54   6.988   0.933  -0.537
  434   1HD   PRO  54          1HD       PRO  54   4.191   1.624  -1.339
  435   2HD   PRO  54          2HD       PRO  54   5.044   0.068  -1.445
  436    H    ALA  55           H        ALA  55   4.827   1.336   4.065
  437    HA   ALA  55           HA       ALA  55   2.273   2.515   4.308
  438   1HB   ALA  55          1HB       ALA  55   3.094   1.258   6.151
  439   2HB   ALA  55          2HB       ALA  55   2.999   2.935   6.694
  440   3HB   ALA  55          3HB       ALA  55   4.557   2.240   6.249
  441    H    ALA  56           H        ALA  56   5.487   3.820   4.002
  442    HA   ALA  56           HA       ALA  56   4.883   6.493   4.794
  443   1HB   ALA  56          1HB       ALA  56   7.079   7.039   4.043
  444   2HB   ALA  56          2HB       ALA  56   7.158   5.601   3.023
  445   3HB   ALA  56          3HB       ALA  56   7.168   5.440   4.783
  446    H    TYR  57           H        TYR  57   3.956   4.730   2.141
  447    HA   TYR  57           HA       TYR  57   3.890   7.083   0.352
  448   1HB   TYR  57          1HB       TYR  57   3.717   4.120  -0.155
  449   2HB   TYR  57          2HB       TYR  57   3.073   5.268  -1.330
  450    HD1  TYR  57           HD1      TYR  57   4.475   5.372  -3.150
  451    HD2  TYR  57           HD2      TYR  57   6.183   5.246   0.746
  452    HE1  TYR  57           HE1      TYR  57   6.708   5.642  -4.129
  453    HE2  TYR  57           HE2      TYR  57   8.414   5.536  -0.216
  454    HH   TYR  57           HH       TYR  57   9.613   5.378  -2.178
  455    H    VAL  58           H        VAL  58   2.069   5.718   2.641
  456    HA   VAL  58           HA       VAL  58  -0.411   6.497   1.303
  457    HB   VAL  58           HB       VAL  58   0.369   3.873   2.008
  458   1HG1  VAL  58          1HG1      VAL  58  -1.851   4.939   3.707
  459   2HG1  VAL  58          2HG1      VAL  58  -0.397   4.074   4.212
  460   3HG1  VAL  58          3HG1      VAL  58  -1.670   3.230   3.326
  461   1HG2  VAL  58          1HG2      VAL  58  -1.745   3.260   0.967
  462   2HG2  VAL  58          2HG2      VAL  58  -0.886   4.489   0.036
  463   3HG2  VAL  58          3HG2      VAL  58  -2.266   4.944   1.038
  464    H    LYS  59           H        LYS  59  -2.033   7.316   2.673
  465    HA   LYS  59           HA       LYS  59  -1.249   7.788   5.467
  466   1HB   LYS  59          1HB       LYS  59  -0.829   9.956   4.878
  467   2HB   LYS  59          2HB       LYS  59  -1.631   9.769   3.327
  468   1HG   LYS  59          1HG       LYS  59  -3.594   9.813   5.414
  469   2HG   LYS  59          2HG       LYS  59  -2.515  11.201   5.572
  470   1HD   LYS  59          1HD       LYS  59  -3.192  12.123   3.604
  471   2HD   LYS  59          2HD       LYS  59  -3.488  10.556   2.848
  472   1HE   LYS  59          1HE       LYS  59  -5.602  11.585   3.110
  473   2HE   LYS  59          2HE       LYS  59  -5.499  10.337   4.347
  474   1HZ   LYS  59          1HZ       LYS  59  -6.428  12.372   5.235
  475   2HZ   LYS  59          2HZ       LYS  59  -5.051  13.244   4.766
  476   3HZ   LYS  59          3HZ       LYS  59  -4.929  12.053   5.965
  477    H    LYS  60           H        LYS  60  -2.858   7.657   6.921
  478    HA   LYS  60           HA       LYS  60  -5.260   6.331   6.326
  479   1HB   LYS  60          1HB       LYS  60  -4.110   7.557   8.732
  480   2HB   LYS  60          2HB       LYS  60  -5.831   7.824   8.631
  481   1HG   LYS  60          1HG       LYS  60  -5.342   5.903   9.987
  482   2HG   LYS  60          2HG       LYS  60  -6.209   5.407   8.542
  483   1HD   LYS  60          1HD       LYS  60  -4.381   4.351   7.666
  484   2HD   LYS  60          2HD       LYS  60  -3.239   5.346   8.546
  485   1HE   LYS  60          1HE       LYS  60  -3.262   3.073   9.439
  486   2HE   LYS  60          2HE       LYS  60  -3.908   4.192  10.626
  487   1HZ   LYS  60          1HZ       LYS  60  -5.822   3.123  10.657
  488   2HZ   LYS  60          2HZ       LYS  60  -5.124   1.915   9.700
  489   3HZ   LYS  60          3HZ       LYS  60  -5.984   3.186   8.970
  490    H    LEU  61           H        LEU  61  -7.220   7.010   5.669
  491    HA   LEU  61           HA       LEU  61  -7.485   9.802   4.923
  492   1HB   LEU  61          1HB       LEU  61  -9.115   7.339   4.443
  493   2HB   LEU  61          2HB       LEU  61  -9.822   8.918   4.169
  494    HG   LEU  61           HG       LEU  61  -7.273   8.020   2.830
  495   1HD1  LEU  61          1HD1      LEU  61  -8.616   7.488   0.884
  496   2HD1  LEU  61          2HD1      LEU  61 -10.087   7.903   1.764
  497   3HD1  LEU  61          3HD1      LEU  61  -9.126   6.511   2.262
  498   1HD2  LEU  61          1HD2      LEU  61  -8.249   9.796   1.167
  499   2HD2  LEU  61          2HD2      LEU  61  -7.335  10.312   2.581
  500   3HD2  LEU  61          3HD2      LEU  61  -9.098  10.372   2.600
  501    H    ASP  62           H        ASP  62  -8.481   7.730   7.440
  502    HA   ASP  62           HA       ASP  62  -9.880   9.946   8.727
  503   1HB   ASP  62          1HB       ASP  62 -11.626   8.538   7.661
  504   2HB   ASP  62          2HB       ASP  62 -11.035   7.156   8.581
  505   1H    ACE   0          1H        ACE   0   3.249 -11.689   2.672
  506   2H    ACE   0          2H        ACE   0   4.022 -12.134   4.194
  507   3H    ACE   0          3H        ACE   0   4.975 -12.160   2.712
  508    H    ALA   1           H        ALA   1   4.584 -10.495   5.436
  509    HA   ALA   1           HA       ALA   1   4.583  -7.799   4.379
  510   1HB   ALA   1          1HB       ALA   1   3.574  -8.305   6.567
  511   2HB   ALA   1          2HB       ALA   1   4.868  -7.113   6.696
  512   3HB   ALA   1          3HB       ALA   1   5.158  -8.786   7.173
  513    HA   PRO   2           HA       PRO   2   8.950  -7.969   3.436
  514   1HB   PRO   2          1HB       PRO   2   8.535  -5.041   3.195
  515   2HB   PRO   2          2HB       PRO   2   9.199  -6.184   2.023
  516   1HG   PRO   2          1HG       PRO   2   6.759  -5.169   1.700
  517   2HG   PRO   2          2HG       PRO   2   7.102  -6.862   1.298
  518   1HD   PRO   2          1HD       PRO   2   5.748  -5.723   3.711
  519   2HD   PRO   2          2HD       PRO   2   5.335  -7.171   2.768
  520    H    SER   3           H        SER   3  10.380  -8.146   5.015
  521    HA   SER   3           HA       SER   3  10.220  -6.383   7.336
  522   1HB   SER   3          1HB       SER   3  12.020  -8.774   6.895
  523   2HB   SER   3          2HB       SER   3  11.658  -7.981   8.430
  524    HG   SER   3           HG       SER   3   9.365  -8.692   7.227
  525    H    TYR   4           H        TYR   4  10.940  -4.862   5.347
  526    HA   TYR   4           HA       TYR   4  13.635  -4.108   6.011
  527   1HB   TYR   4          1HB       TYR   4  14.397  -3.993   3.647
  528   2HB   TYR   4          2HB       TYR   4  14.130  -5.640   4.201
  529    HD1  TYR   4           HD1      TYR   4  12.739  -2.928   2.106
  530    HD2  TYR   4           HD2      TYR   4  12.547  -7.051   3.131
  531    HE1  TYR   4           HE1      TYR   4  11.292  -3.337   0.167
  532    HE2  TYR   4           HE2      TYR   4  11.092  -7.468   1.194
  533    HH   TYR   4           HH       TYR   4   9.731  -6.428  -0.350
  534    H    SER   5           H        SER   5  14.193  -2.003   4.905
  535    HA   SER   5           HA       SER   5  12.005  -0.203   5.254
  536   1HB   SER   5          1HB       SER   5  14.733   0.408   4.112
  537   2HB   SER   5          2HB       SER   5  13.621   1.532   4.894
  538    HG   SER   5           HG       SER   5  13.883  -0.144   6.733
  539    HA   PRO   6           HA       PRO   6  10.563  -0.156   1.065
  540   1HB   PRO   6          1HB       PRO   6   8.939   1.992   1.230
  541   2HB   PRO   6          2HB       PRO   6   8.544   0.454   2.007
  542   1HG   PRO   6          1HG       PRO   6   9.687   2.947   3.194
  543   2HG   PRO   6          2HG       PRO   6   8.454   1.856   3.851
  544   1HD   PRO   6          1HD       PRO   6  11.088   1.821   4.604
  545   2HD   PRO   6          2HD       PRO   6  10.018   0.411   4.696
  546    HA   PRO   7           HA       PRO   7  13.004   2.587  -1.396
  547   1HB   PRO   7          1HB       PRO   7  11.090   3.510  -3.196
  548   2HB   PRO   7          2HB       PRO   7  11.999   2.006  -3.357
  549   1HG   PRO   7          1HG       PRO   7   9.244   2.451  -2.301
  550   2HG   PRO   7          2HG       PRO   7   9.859   1.130  -3.311
  551   1HD   PRO   7          1HD       PRO   7   9.433   0.783  -0.695
  552   2HD   PRO   7          2HD       PRO   7  10.833   0.037  -1.499
  553    HA   PRO   8           HA       PRO   8  12.460   6.484   0.693
  554   1HB   PRO   8          1HB       PRO   8  14.241   7.846  -0.956
  555   2HB   PRO   8          2HB       PRO   8  14.665   6.967   0.513
  556   1HG   PRO   8          1HG       PRO   8  14.847   6.102  -2.336
  557   2HG   PRO   8          2HG       PRO   8  15.952   5.773  -0.987
  558   1HD   PRO   8          1HD       PRO   8  14.251   3.907  -1.877
  559   2HD   PRO   8          2HD       PRO   8  14.614   4.074  -0.146
  560    HA   PRO   9           HA       PRO   9   9.569   8.262  -2.258
  561   1HB   PRO   9          1HB       PRO   9   8.118   9.631  -0.457
  562   2HB   PRO   9          2HB       PRO   9   7.978   7.878  -0.627
  563   1HG   PRO   9          1HG       PRO   9   9.435   9.472   1.432
  564   2HG   PRO   9          2HG       PRO   9   8.511   7.972   1.618
  565   1HD   PRO   9          1HD       PRO   9  11.267   8.123   1.443
  566   2HD   PRO   9          2HD       PRO   9  10.305   6.674   1.094
  567    HA   PRO  10           HA       PRO  10  11.571  12.212  -2.716
  568   1HB   PRO  10          1HB       PRO  10  10.107  13.141  -4.792
  569   2HB   PRO  10          2HB       PRO  10  11.327  11.878  -4.979
  570   1HG   PRO  10          1HG       PRO  10   8.360  11.644  -4.846
  571   2HG   PRO  10          2HG       PRO  10   9.517  10.730  -5.827
  572   1HD   PRO  10          1HD       PRO  10   8.365   9.811  -3.494
  573   2HD   PRO  10          2HD       PRO  10   9.890   9.211  -4.171
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1 -19.414  -6.503  -1.293
    2   2H    MET   1          2H        MET   1 -20.434  -7.631  -2.033
    3   3H    MET   1          3H        MET   1 -20.794  -5.977  -2.128
    4    HA   MET   1           HA       MET   1 -18.493  -7.364  -3.372
    5   1HB   MET   1          1HB       MET   1 -20.873  -5.939  -4.581
    6   2HB   MET   1          2HB       MET   1 -19.536  -6.640  -5.483
    7   1HG   MET   1          1HG       MET   1 -21.607  -8.079  -3.851
    8   2HG   MET   1          2HG       MET   1 -21.375  -8.140  -5.598
    9   1HE   MET   1          1HE       MET   1 -21.643 -10.732  -3.699
   10   2HE   MET   1          2HE       MET   1 -20.415 -11.763  -4.433
   11   3HE   MET   1          3HE       MET   1 -21.474 -10.791  -5.454
   12    H    ASP   2           H        ASP   2 -17.892  -5.465  -1.534
   13    HA   ASP   2           HA       ASP   2 -17.102  -3.196  -3.241
   14   1HB   ASP   2          1HB       ASP   2 -17.774  -2.810  -0.318
   15   2HB   ASP   2          2HB       ASP   2 -17.490  -1.588  -1.546
   16    H    GLU   3           H        GLU   3 -15.143  -4.350  -3.505
   17    HA   GLU   3           HA       GLU   3 -13.450  -5.085  -1.327
   18   1HB   GLU   3          1HB       GLU   3 -12.534  -4.218  -4.152
   19   2HB   GLU   3          2HB       GLU   3 -11.409  -4.719  -2.905
   20   1HG   GLU   3          1HG       GLU   3 -12.182  -6.438  -4.644
   21   2HG   GLU   3          2HG       GLU   3 -12.081  -6.914  -2.952
   22    H    THR   4           H        THR   4 -14.339  -1.969  -2.280
   23    HA   THR   4           HA       THR   4 -12.081  -0.819  -0.818
   24    HB   THR   4           HB       THR   4 -12.577   0.010  -3.232
   25    HG1  THR   4           HG1      THR   4 -11.321   1.065  -1.380
   26   1HG2  THR   4          1HG2      THR   4 -14.135   2.144  -2.917
   27   2HG2  THR   4          2HG2      THR   4 -14.922   1.092  -1.741
   28   3HG2  THR   4          3HG2      THR   4 -14.788   0.591  -3.428
   29    H    GLY   5           H        GLY   5 -14.620  -2.064   0.147
   30   1HA   GLY   5          1HA       GLY   5 -15.847   0.203   1.566
   31   2HA   GLY   5          2HA       GLY   5 -16.527  -1.414   1.433
   32    H    LYS   6           H        LYS   6 -13.372  -0.188   2.455
   33    HA   LYS   6           HA       LYS   6 -13.747  -1.238   5.121
   34   1HB   LYS   6          1HB       LYS   6 -11.265  -1.881   3.480
   35   2HB   LYS   6          2HB       LYS   6 -11.657  -2.411   5.081
   36   1HG   LYS   6          1HG       LYS   6 -13.159  -4.018   4.352
   37   2HG   LYS   6          2HG       LYS   6 -13.401  -3.242   2.802
   38   1HD   LYS   6          1HD       LYS   6 -10.901  -3.760   2.414
   39   2HD   LYS   6          2HD       LYS   6 -11.102  -4.911   3.733
   40   1HE   LYS   6          1HE       LYS   6 -12.792  -6.098   2.531
   41   2HE   LYS   6          2HE       LYS   6 -12.870  -4.846   1.295
   42   1HZ   LYS   6          1HZ       LYS   6 -10.710  -5.442   0.511
   43   2HZ   LYS   6          2HZ       LYS   6 -11.617  -6.865   0.635
   44   3HZ   LYS   6          3HZ       LYS   6 -10.461  -6.504   1.811
   45    H    GLU   7           H        GLU   7 -11.147  -0.744   5.995
   46    HA   GLU   7           HA       GLU   7 -11.134   2.039   6.366
   47   1HB   GLU   7          1HB       GLU   7  -9.965   0.091   7.689
   48   2HB   GLU   7          2HB       GLU   7  -8.627   0.405   6.597
   49   1HG   GLU   7          1HG       GLU   7  -8.390   2.630   7.399
   50   2HG   GLU   7          2HG       GLU   7  -9.892   2.518   8.318
   51    H    LEU   8           H        LEU   8 -10.610   3.584   4.914
   52    HA   LEU   8           HA       LEU   8  -9.025   2.764   2.602
   53   1HB   LEU   8          1HB       LEU   8 -10.774   5.154   3.085
   54   2HB   LEU   8          2HB       LEU   8  -9.795   4.945   1.642
   55    HG   LEU   8           HG       LEU   8 -11.961   3.056   2.534
   56   1HD1  LEU   8          1HD1      LEU   8 -13.240   3.941   0.616
   57   2HD1  LEU   8          2HD1      LEU   8 -12.001   5.175   0.387
   58   3HD1  LEU   8          3HD1      LEU   8 -12.963   5.152   1.867
   59   1HD2  LEU   8          1HD2      LEU   8 -10.307   3.165   0.026
   60   2HD2  LEU   8          2HD2      LEU   8 -11.721   2.134   0.255
   61   3HD2  LEU   8          3HD2      LEU   8 -10.292   1.905   1.262
   62    H    VAL   9           H        VAL   9  -7.422   3.977   1.743
   63    HA   VAL   9           HA       VAL   9  -6.119   5.963   3.465
   64    HB   VAL   9           HB       VAL   9  -3.896   4.923   2.598
   65   1HG1  VAL   9          1HG1      VAL   9  -4.342   5.066   4.909
   66   2HG1  VAL   9          2HG1      VAL   9  -3.810   3.414   4.579
   67   3HG1  VAL   9          3HG1      VAL   9  -5.524   3.758   4.831
   68   1HG2  VAL   9          1HG2      VAL   9  -4.832   3.278   1.122
   69   2HG2  VAL   9          2HG2      VAL   9  -5.736   2.550   2.448
   70   3HG2  VAL   9          3HG2      VAL   9  -3.976   2.468   2.433
   71    H    LEU  10           H        LEU  10  -4.553   7.253   2.319
   72    HA   LEU  10           HA       LEU  10  -5.286   7.580  -0.517
   73   1HB   LEU  10          1HB       LEU  10  -5.897   9.509   0.788
   74   2HB   LEU  10          2HB       LEU  10  -4.313   9.569   1.534
   75    HG   LEU  10           HG       LEU  10  -3.520   9.893  -0.968
   76   1HD1  LEU  10          1HD1      LEU  10  -5.158  11.342  -2.158
   77   2HD1  LEU  10          2HD1      LEU  10  -6.375  10.849  -0.980
   78   3HD1  LEU  10          3HD1      LEU  10  -5.636   9.648  -2.042
   79   1HD2  LEU  10          1HD2      LEU  10  -4.738  12.041   0.759
   80   2HD2  LEU  10          2HD2      LEU  10  -3.652  12.329  -0.601
   81   3HD2  LEU  10          3HD2      LEU  10  -3.077  11.452   0.819
   82    H    ALA  11           H        ALA  11  -3.714   7.472  -2.041
   83    HA   ALA  11           HA       ALA  11  -1.079   6.668  -1.165
   84   1HB   ALA  11          1HB       ALA  11  -1.741   7.133  -4.042
   85   2HB   ALA  11          2HB       ALA  11  -2.492   5.778  -3.193
   86   3HB   ALA  11          3HB       ALA  11  -0.735   5.884  -3.301
   87    H    LEU  12           H        LEU  12   0.313   8.200  -0.596
   88    HA   LEU  12           HA       LEU  12   0.130  10.901  -1.428
   89   1HB   LEU  12          1HB       LEU  12   2.113   9.324   0.171
   90   2HB   LEU  12          2HB       LEU  12   2.450  10.992  -0.286
   91    HG   LEU  12           HG       LEU  12   0.267  11.612   0.819
   92   1HD1  LEU  12          1HD1      LEU  12  -0.747   9.415   0.835
   93   2HD1  LEU  12          2HD1      LEU  12  -0.639  10.081   2.466
   94   3HD1  LEU  12          3HD1      LEU  12   0.500   8.838   1.944
   95   1HD2  LEU  12          1HD2      LEU  12   2.369  12.091   1.912
   96   2HD2  LEU  12          2HD2      LEU  12   2.490  10.427   2.482
   97   3HD2  LEU  12          3HD2      LEU  12   1.229  11.484   3.115
   98    H    TYR  13           H        TYR  13   2.098   8.173  -2.488
   99    HA   TYR  13           HA       TYR  13   3.102   9.860  -4.670
  100   1HB   TYR  13          1HB       TYR  13   4.997   7.893  -3.442
  101   2HB   TYR  13          2HB       TYR  13   5.351   9.349  -4.360
  102    HD1  TYR  13           HD1      TYR  13   5.245  11.563  -3.261
  103    HD2  TYR  13           HD2      TYR  13   4.788   7.945  -1.073
  104    HE1  TYR  13           HE1      TYR  13   5.689  12.780  -1.172
  105    HE2  TYR  13           HE2      TYR  13   5.224   9.154   1.024
  106    HH   TYR  13           HH       TYR  13   5.697  12.672   1.059
  107    H    ASP  14           H        ASP  14   4.233   8.457  -6.347
  108    HA   ASP  14           HA       ASP  14   2.518   6.262  -7.039
  109   1HB   ASP  14          1HB       ASP  14   3.396   7.971  -8.679
  110   2HB   ASP  14          2HB       ASP  14   4.996   7.275  -8.457
  111    H    TYR  15           H        TYR  15   3.152   4.146  -7.162
  112    HA   TYR  15           HA       TYR  15   5.852   3.420  -6.345
  113   1HB   TYR  15          1HB       TYR  15   4.627   3.524  -4.232
  114   2HB   TYR  15          2HB       TYR  15   3.394   2.442  -4.875
  115    HD1  TYR  15           HD1      TYR  15   3.569   0.168  -4.390
  116    HD2  TYR  15           HD2      TYR  15   7.081   2.572  -4.337
  117    HE1  TYR  15           HE1      TYR  15   4.886  -1.769  -3.627
  118    HE2  TYR  15           HE2      TYR  15   8.393   0.651  -3.586
  119    HH   TYR  15           HH       TYR  15   7.133  -2.562  -3.532
  120    H    GLN  16           H        GLN  16   6.528   1.416  -7.052
  121    HA   GLN  16           HA       GLN  16   4.664  -0.052  -8.822
  122   1HB   GLN  16          1HB       GLN  16   7.302   1.073  -9.269
  123   2HB   GLN  16          2HB       GLN  16   7.369  -0.664  -9.440
  124   1HG   GLN  16          1HG       GLN  16   5.750   1.301 -11.041
  125   2HG   GLN  16          2HG       GLN  16   7.036   0.238 -11.585
  126   1HE2  GLN  16          1HE2      GLN  16   6.150  -2.118 -10.264
  127   2HE2  GLN  16          2HE2      GLN  16   4.712  -2.650 -11.061
  128    H    GLU  17           H        GLU  17   4.344  -2.146  -8.334
  129    HA   GLU  17           HA       GLU  17   5.264  -3.262  -5.930
  130   1HB   GLU  17          1HB       GLU  17   4.270  -5.364  -6.743
  131   2HB   GLU  17          2HB       GLU  17   3.193  -3.995  -6.968
  132   1HG   GLU  17          1HG       GLU  17   4.241  -3.940  -9.360
  133   2HG   GLU  17          2HG       GLU  17   4.662  -5.612  -8.992
  134    H    LYS  18           H        LYS  18   6.917  -4.633  -5.404
  135    HA   LYS  18           HA       LYS  18   8.866  -5.145  -7.572
  136   1HB   LYS  18          1HB       LYS  18   9.460  -5.146  -4.612
  137   2HB   LYS  18          2HB       LYS  18  10.615  -5.169  -5.935
  138   1HG   LYS  18          1HG       LYS  18   9.988  -2.885  -6.553
  139   2HG   LYS  18          2HG       LYS  18   8.775  -2.862  -5.274
  140   1HD   LYS  18          1HD       LYS  18  11.682  -3.371  -4.676
  141   2HD   LYS  18          2HD       LYS  18  11.035  -1.739  -4.813
  142   1HE   LYS  18          1HE       LYS  18  11.079  -2.418  -2.481
  143   2HE   LYS  18          2HE       LYS  18   9.411  -2.243  -3.026
  144   1HZ   LYS  18          1HZ       LYS  18  10.086  -4.287  -1.641
  145   2HZ   LYS  18          2HZ       LYS  18  10.706  -4.888  -3.095
  146   3HZ   LYS  18          3HZ       LYS  18   9.057  -4.496  -2.972
  147    H    SER  19           H        SER  19   6.921  -6.691  -5.116
  148    HA   SER  19           HA       SER  19   8.084  -9.265  -5.927
  149   1HB   SER  19          1HB       SER  19   7.783 -10.080  -3.646
  150   2HB   SER  19          2HB       SER  19   8.774  -8.614  -3.623
  151    HG   SER  19           HG       SER  19   7.193  -7.525  -2.668
  152    HA   PRO  20           HA       PRO  20   3.980 -10.749  -6.759
  153   1HB   PRO  20          1HB       PRO  20   4.434 -13.035  -4.917
  154   2HB   PRO  20          2HB       PRO  20   4.032 -13.046  -6.640
  155   1HG   PRO  20          1HG       PRO  20   6.476 -13.672  -5.867
  156   2HG   PRO  20          2HG       PRO  20   6.246 -12.605  -7.269
  157   1HD   PRO  20          1HD       PRO  20   6.886 -11.870  -4.428
  158   2HD   PRO  20          2HD       PRO  20   7.676 -11.317  -5.925
  159    H    ALA  21           H        ALA  21   4.942 -10.012  -3.598
  160    HA   ALA  21           HA       ALA  21   2.191 -10.211  -2.585
  161   1HB   ALA  21          1HB       ALA  21   3.672 -11.455  -1.177
  162   2HB   ALA  21          2HB       ALA  21   3.245  -9.970  -0.320
  163   3HB   ALA  21          3HB       ALA  21   4.818 -10.116  -1.108
  164    H    GLU  22           H        GLU  22   3.595  -8.178  -4.290
  165    HA   GLU  22           HA       GLU  22   3.016  -5.811  -2.637
  166   1HB   GLU  22          1HB       GLU  22   5.364  -6.446  -4.294
  167   2HB   GLU  22          2HB       GLU  22   4.667  -4.862  -4.601
  168   1HG   GLU  22          1HG       GLU  22   5.191  -4.076  -2.540
  169   2HG   GLU  22          2HG       GLU  22   5.162  -5.672  -1.785
  170    H    VAL  23           H        VAL  23   2.037  -4.046  -3.734
  171    HA   VAL  23           HA       VAL  23   0.972  -4.698  -6.387
  172    HB   VAL  23           HB       VAL  23  -1.155  -3.455  -5.644
  173   1HG1  VAL  23          1HG1      VAL  23  -2.136  -5.539  -4.727
  174   2HG1  VAL  23          2HG1      VAL  23  -0.510  -6.218  -4.681
  175   3HG1  VAL  23          3HG1      VAL  23  -1.230  -5.755  -6.224
  176   1HG2  VAL  23          1HG2      VAL  23   0.254  -3.678  -3.098
  177   2HG2  VAL  23          2HG2      VAL  23  -1.406  -4.264  -3.056
  178   3HG2  VAL  23          3HG2      VAL  23  -1.067  -2.617  -3.581
  179    H    THR  24           H        THR  24   0.572  -2.980  -7.744
  180    HA   THR  24           HA       THR  24   2.246  -0.681  -7.237
  181    HB   THR  24           HB       THR  24   0.659  -1.525  -9.661
  182    HG1  THR  24           HG1      THR  24   2.335  -2.863  -9.572
  183   1HG2  THR  24          1HG2      THR  24   0.897   0.889  -9.702
  184   2HG2  THR  24          2HG2      THR  24   1.978   0.162 -10.891
  185   3HG2  THR  24          3HG2      THR  24   2.621   0.748  -9.356
  186    H    MET  25           H        MET  25   1.601   1.394  -6.977
  187    HA   MET  25           HA       MET  25  -1.276   1.981  -7.002
  188   1HB   MET  25          1HB       MET  25  -1.157   3.162  -4.895
  189   2HB   MET  25          2HB       MET  25  -0.556   1.520  -4.659
  190   1HG   MET  25          1HG       MET  25   1.647   2.227  -4.427
  191   2HG   MET  25          2HG       MET  25   1.337   3.778  -5.219
  192   1HE   MET  25          1HE       MET  25  -1.346   2.609  -2.714
  193   2HE   MET  25          2HE       MET  25  -0.646   2.993  -1.141
  194   3HE   MET  25          3HE       MET  25   0.027   1.681  -2.108
  195    H    LYS  26           H        LYS  26  -1.634   4.422  -6.841
  196    HA   LYS  26           HA       LYS  26   0.548   5.925  -8.101
  197   1HB   LYS  26          1HB       LYS  26  -2.141   5.388  -9.291
  198   2HB   LYS  26          2HB       LYS  26  -1.472   6.999  -9.483
  199   1HG   LYS  26          1HG       LYS  26  -0.757   5.944 -11.389
  200   2HG   LYS  26          2HG       LYS  26   0.639   5.759 -10.325
  201   1HD   LYS  26          1HD       LYS  26  -0.423   3.501  -9.681
  202   2HD   LYS  26          2HD       LYS  26  -1.402   3.711 -11.135
  203   1HE   LYS  26          1HE       LYS  26   0.526   2.391 -11.681
  204   2HE   LYS  26          2HE       LYS  26   0.687   3.974 -12.440
  205   1HZ   LYS  26          1HZ       LYS  26   1.966   3.240  -9.866
  206   2HZ   LYS  26          2HZ       LYS  26   2.226   4.649 -10.767
  207   3HZ   LYS  26          3HZ       LYS  26   2.745   3.150 -11.368
  208    H    LYS  27           H        LYS  27   0.493   8.145  -7.742
  209    HA   LYS  27           HA       LYS  27  -0.606   8.971  -5.285
  210   1HB   LYS  27          1HB       LYS  27   1.246  10.236  -5.820
  211   2HB   LYS  27          2HB       LYS  27   0.842  10.316  -7.526
  212   1HG   LYS  27          1HG       LYS  27   0.651  12.505  -6.704
  213   2HG   LYS  27          2HG       LYS  27  -1.000  11.918  -6.891
  214   1HD   LYS  27          1HD       LYS  27  -1.227  11.573  -4.544
  215   2HD   LYS  27          2HD       LYS  27   0.498  11.837  -4.280
  216   1HE   LYS  27          1HE       LYS  27   0.266  14.158  -4.961
  217   2HE   LYS  27          2HE       LYS  27  -1.446  13.905  -5.298
  218   1HZ   LYS  27          1HZ       LYS  27  -1.122  14.960  -3.156
  219   2HZ   LYS  27          2HZ       LYS  27  -0.148  13.675  -2.631
  220   3HZ   LYS  27          3HZ       LYS  27  -1.798  13.418  -2.955
  221    H    GLY  28           H        GLY  28  -2.533   9.778  -4.763
  222   1HA   GLY  28          1HA       GLY  28  -4.492  11.127  -5.156
  223   2HA   GLY  28          2HA       GLY  28  -4.216  10.941  -6.891
  224    H    ASP  29           H        ASP  29  -3.739   7.989  -5.541
  225    HA   ASP  29           HA       ASP  29  -6.409   7.117  -6.325
  226   1HB   ASP  29          1HB       ASP  29  -3.745   5.980  -6.500
  227   2HB   ASP  29          2HB       ASP  29  -4.866   4.862  -5.715
  228    H    ILE  30           H        ILE  30  -7.697   5.871  -4.980
  229    HA   ILE  30           HA       ILE  30  -7.044   6.132  -2.143
  230    HB   ILE  30           HB       ILE  30  -9.649   5.886  -3.625
  231   1HG1  ILE  30          1HG1      ILE  30 -10.308   7.784  -2.248
  232   2HG1  ILE  30          2HG1      ILE  30  -8.828   7.673  -1.311
  233   1HG2  ILE  30          1HG2      ILE  30  -9.713   4.134  -1.920
  234   2HG2  ILE  30          2HG2      ILE  30 -10.842   5.439  -1.552
  235   3HG2  ILE  30          3HG2      ILE  30  -9.310   5.324  -0.682
  236   1HD1  ILE  30          1HD1      ILE  30  -9.101   8.468  -4.196
  237   2HD1  ILE  30          2HD1      ILE  30  -7.559   8.221  -3.375
  238   3HD1  ILE  30          3HD1      ILE  30  -8.653   9.498  -2.837
  239    H    LEU  31           H        LEU  31  -6.174   4.461  -1.249
  240    HA   LEU  31           HA       LEU  31  -6.542   1.796  -2.400
  241   1HB   LEU  31          1HB       LEU  31  -4.486   3.089  -0.670
  242   2HB   LEU  31          2HB       LEU  31  -4.704   1.361  -0.537
  243    HG   LEU  31           HG       LEU  31  -2.854   2.126  -2.061
  244   1HD1  LEU  31          1HD1      LEU  31  -3.787  -0.124  -2.164
  245   2HD1  LEU  31          2HD1      LEU  31  -3.287   0.456  -3.751
  246   3HD1  LEU  31          3HD1      LEU  31  -4.994   0.434  -3.325
  247   1HD2  LEU  31          1HD2      LEU  31  -5.062   2.797  -3.985
  248   2HD2  LEU  31          2HD2      LEU  31  -3.323   3.005  -4.202
  249   3HD2  LEU  31          3HD2      LEU  31  -4.195   4.013  -3.046
  250    H    THR  32           H        THR  32  -7.060   0.021  -1.051
  251    HA   THR  32           HA       THR  32  -8.583   0.786   1.334
  252    HB   THR  32           HB       THR  32  -8.751  -1.802  -0.220
  253    HG1  THR  32           HG1      THR  32  -9.902  -0.684  -1.599
  254   1HG2  THR  32          1HG2      THR  32 -10.962  -1.927   0.979
  255   2HG2  THR  32          2HG2      THR  32 -10.422  -0.559   1.959
  256   3HG2  THR  32          3HG2      THR  32  -9.536  -2.086   2.012
  257    H    LEU  33           H        LEU  33  -7.795   0.232   3.277
  258    HA   LEU  33           HA       LEU  33  -5.315  -1.206   3.438
  259   1HB   LEU  33          1HB       LEU  33  -6.964   0.398   5.231
  260   2HB   LEU  33          2HB       LEU  33  -6.201  -0.967   6.025
  261    HG   LEU  33           HG       LEU  33  -4.799   1.222   4.502
  262   1HD1  LEU  33          1HD1      LEU  33  -3.882   1.794   6.699
  263   2HD1  LEU  33          2HD1      LEU  33  -4.912   0.568   7.438
  264   3HD1  LEU  33          3HD1      LEU  33  -5.636   1.960   6.633
  265   1HD2  LEU  33          1HD2      LEU  33  -3.714  -1.217   5.896
  266   2HD2  LEU  33          2HD2      LEU  33  -2.732   0.172   5.430
  267   3HD2  LEU  33          3HD2      LEU  33  -3.546  -0.789   4.194
  268    H    LEU  34           H        LEU  34  -4.946  -3.202   3.984
  269    HA   LEU  34           HA       LEU  34  -7.227  -4.915   4.703
  270   1HB   LEU  34          1HB       LEU  34  -4.635  -5.780   3.432
  271   2HB   LEU  34          2HB       LEU  34  -6.100  -6.721   3.615
  272    HG   LEU  34           HG       LEU  34  -5.748  -4.337   1.803
  273   1HD1  LEU  34          1HD1      LEU  34  -5.595  -5.804   0.032
  274   2HD1  LEU  34          2HD1      LEU  34  -6.334  -7.130   0.934
  275   3HD1  LEU  34          3HD1      LEU  34  -4.676  -6.646   1.286
  276   1HD2  LEU  34          1HD2      LEU  34  -8.003  -5.228   0.930
  277   2HD2  LEU  34          2HD2      LEU  34  -8.001  -4.261   2.406
  278   3HD2  LEU  34          3HD2      LEU  34  -8.130  -6.019   2.501
  279    H    ASN  35           H        ASN  35  -3.847  -4.165   5.308
  280    HA   ASN  35           HA       ASN  35  -4.062  -5.035   8.052
  281   1HB   ASN  35          1HB       ASN  35  -3.405  -7.097   6.764
  282   2HB   ASN  35          2HB       ASN  35  -1.941  -6.257   6.270
  283   1HD2  ASN  35          1HD2      ASN  35  -3.541  -7.959   8.775
  284   2HD2  ASN  35          2HD2      ASN  35  -2.233  -7.956   9.910
  285    H    SER  36           H        SER  36  -2.791  -3.755   9.327
  286    HA   SER  36           HA       SER  36  -0.611  -2.273   8.052
  287   1HB   SER  36          1HB       SER  36  -1.474  -0.264   9.479
  288   2HB   SER  36          2HB       SER  36  -2.251  -0.622   7.933
  289    HG   SER  36           HG       SER  36  -3.367  -2.020   9.998
  290    H    THR  37           H        THR  37  -0.492  -4.542   9.789
  291    HA   THR  37           HA       THR  37   0.127  -3.563  12.430
  292    HB   THR  37           HB       THR  37  -0.809  -5.865  11.923
  293    HG1  THR  37           HG1      THR  37   1.468  -6.274  13.470
  294   1HG2  THR  37          1HG2      THR  37   0.692  -6.565  10.150
  295   2HG2  THR  37          2HG2      THR  37   0.860  -7.649  11.531
  296   3HG2  THR  37          3HG2      THR  37   2.080  -6.412  11.228
  297    H    ASN  38           H        ASN  38   1.729  -3.613   9.511
  298    HA   ASN  38           HA       ASN  38   4.401  -3.766  10.699
  299   1HB   ASN  38          1HB       ASN  38   3.860  -5.034   8.590
  300   2HB   ASN  38          2HB       ASN  38   3.613  -3.494   7.793
  301   1HD2  ASN  38          1HD2      ASN  38   5.557  -5.683   7.275
  302   2HD2  ASN  38          2HD2      ASN  38   7.107  -4.924   7.311
  303    H    LYS  39           H        LYS  39   5.796  -1.957  10.585
  304    HA   LYS  39           HA       LYS  39   4.431   0.559  10.601
  305   1HB   LYS  39          1HB       LYS  39   7.209  -0.390  11.306
  306   2HB   LYS  39          2HB       LYS  39   6.668   1.239  11.478
  307   1HG   LYS  39          1HG       LYS  39   5.212   0.723  13.242
  308   2HG   LYS  39          2HG       LYS  39   5.249  -1.001  12.850
  309   1HD   LYS  39          1HD       LYS  39   7.715  -0.924  13.413
  310   2HD   LYS  39          2HD       LYS  39   7.416   0.680  14.083
  311   1HE   LYS  39          1HE       LYS  39   5.863  -0.209  15.675
  312   2HE   LYS  39          2HE       LYS  39   5.938  -1.805  14.930
  313   1HZ   LYS  39          1HZ       LYS  39   8.197  -2.034  15.614
  314   2HZ   LYS  39          2HZ       LYS  39   7.283  -1.594  16.971
  315   3HZ   LYS  39          3HZ       LYS  39   8.252  -0.442  16.191
  316    H    ASP  40           H        ASP  40   6.601  -1.190   8.494
  317    HA   ASP  40           HA       ASP  40   7.166   1.307   7.026
  318   1HB   ASP  40          1HB       ASP  40   8.572  -1.370   6.883
  319   2HB   ASP  40          2HB       ASP  40   8.965   0.033   5.883
  320    H    TRP  41           H        TRP  41   5.460  -1.654   6.830
  321    HA   TRP  41           HA       TRP  41   4.774  -1.046   4.033
  322   1HB   TRP  41          1HB       TRP  41   5.510  -3.748   5.165
  323   2HB   TRP  41          2HB       TRP  41   4.736  -3.522   3.608
  324    HD1  TRP  41           HD1      TRP  41   8.063  -3.075   5.388
  325    HE1  TRP  41           HE1      TRP  41   9.907  -2.653   3.649
  326    HE3  TRP  41           HE3      TRP  41   5.142  -2.583   1.230
  327    HZ2  TRP  41           HZ2      TRP  41  10.095  -2.185   0.876
  328    HZ3  TRP  41           HZ3      TRP  41   6.231  -2.151  -0.930
  329    HH2  TRP  41           HH2      TRP  41   8.659  -1.957  -1.101
  330    H    TRP  42           H        TRP  42   2.646  -1.112   3.580
  331    HA   TRP  42           HA       TRP  42   0.884  -2.347   5.596
  332   1HB   TRP  42          1HB       TRP  42   0.607   0.267   4.125
  333   2HB   TRP  42          2HB       TRP  42  -0.822  -0.586   4.712
  334    HD1  TRP  42           HD1      TRP  42   1.787  -1.220   7.145
  335    HE1  TRP  42           HE1      TRP  42   1.642   0.356   9.162
  336    HE3  TRP  42           HE3      TRP  42  -1.413   2.221   5.217
  337    HZ2  TRP  42           HZ2      TRP  42   0.323   2.771   9.829
  338    HZ3  TRP  42           HZ3      TRP  42  -2.075   4.158   6.595
  339    HH2  TRP  42           HH2      TRP  42  -1.221   4.412   8.856
  340    H    LYS  43           H        LYS  43  -0.668  -3.689   4.877
  341    HA   LYS  43           HA       LYS  43  -0.530  -4.507   2.096
  342   1HB   LYS  43          1HB       LYS  43  -0.652  -6.131   4.046
  343   2HB   LYS  43          2HB       LYS  43  -2.312  -5.601   4.277
  344   1HG   LYS  43          1HG       LYS  43  -2.866  -6.352   2.002
  345   2HG   LYS  43          2HG       LYS  43  -1.215  -6.954   1.810
  346   1HD   LYS  43          1HD       LYS  43  -1.639  -8.342   3.893
  347   2HD   LYS  43          2HD       LYS  43  -3.336  -7.893   3.736
  348   1HE   LYS  43          1HE       LYS  43  -1.665  -9.484   1.788
  349   2HE   LYS  43          2HE       LYS  43  -3.049 -10.032   2.735
  350   1HZ   LYS  43          1HZ       LYS  43  -3.259  -7.915   0.685
  351   2HZ   LYS  43          2HZ       LYS  43  -4.519  -8.753   1.447
  352   3HZ   LYS  43          3HZ       LYS  43  -3.507  -9.556   0.347
  353    H    VAL  44           H        VAL  44  -1.864  -3.758   0.596
  354    HA   VAL  44           HA       VAL  44  -4.480  -2.719   1.435
  355    HB   VAL  44           HB       VAL  44  -4.223  -0.918  -0.306
  356   1HG1  VAL  44          1HG1      VAL  44  -2.353  -0.903   2.058
  357   2HG1  VAL  44          2HG1      VAL  44  -4.022  -0.333   2.013
  358   3HG1  VAL  44          3HG1      VAL  44  -2.771   0.526   1.113
  359   1HG2  VAL  44          1HG2      VAL  44  -1.968  -0.320  -1.020
  360   2HG2  VAL  44          2HG2      VAL  44  -2.395  -1.943  -1.563
  361   3HG2  VAL  44          3HG2      VAL  44  -1.321  -1.729  -0.180
  362    H    GLU  45           H        GLU  45  -5.873  -2.291  -0.511
  363    HA   GLU  45           HA       GLU  45  -5.513  -4.360  -2.577
  364   1HB   GLU  45          1HB       GLU  45  -7.198  -4.943  -0.797
  365   2HB   GLU  45          2HB       GLU  45  -8.123  -3.533  -1.282
  366   1HG   GLU  45          1HG       GLU  45  -8.657  -4.475  -3.368
  367   2HG   GLU  45          2HG       GLU  45  -7.434  -5.738  -3.196
  368    H    VAL  46           H        VAL  46  -5.436  -3.481  -4.561
  369    HA   VAL  46           HA       VAL  46  -6.794  -0.883  -5.008
  370    HB   VAL  46           HB       VAL  46  -5.093  -1.426  -7.185
  371   1HG1  VAL  46          1HG1      VAL  46  -4.043   0.661  -6.615
  372   2HG1  VAL  46          2HG1      VAL  46  -4.725   0.589  -4.991
  373   3HG1  VAL  46          3HG1      VAL  46  -5.789   0.769  -6.388
  374   1HG2  VAL  46          1HG2      VAL  46  -3.684  -1.802  -4.567
  375   2HG2  VAL  46          2HG2      VAL  46  -2.875  -1.445  -6.095
  376   3HG2  VAL  46          3HG2      VAL  46  -3.800  -2.937  -5.912
  377    H    ASN  47           H        ASN  47  -8.552  -1.120  -6.136
  378    HA   ASN  47           HA       ASN  47 -10.130  -1.746  -7.569
  379   1HB   ASN  47          1HB       ASN  47  -9.516  -2.458  -9.810
  380   2HB   ASN  47          2HB       ASN  47  -8.586  -1.099  -9.289
  381   1HD2  ASN  47          1HD2      ASN  47  -6.377  -1.216  -9.412
  382   2HD2  ASN  47          2HD2      ASN  47  -5.522  -2.638  -9.903
  383    H    ASP  48           H        ASP  48  -7.787  -4.305  -7.508
  384    HA   ASP  48           HA       ASP  48  -9.613  -6.199  -6.349
  385   1HB   ASP  48          1HB       ASP  48 -10.250  -6.094  -8.830
  386   2HB   ASP  48          2HB       ASP  48  -8.696  -6.861  -9.145
  387    H    ARG  49           H        ARG  49  -6.550  -5.119  -7.133
  388    HA   ARG  49           HA       ARG  49  -5.228  -7.693  -6.754
  389   1HB   ARG  49          1HB       ARG  49  -4.095  -4.954  -7.368
  390   2HB   ARG  49          2HB       ARG  49  -3.135  -6.412  -7.186
  391   1HG   ARG  49          1HG       ARG  49  -5.216  -5.932  -9.317
  392   2HG   ARG  49          2HG       ARG  49  -3.473  -5.819  -9.527
  393   1HD   ARG  49          1HD       ARG  49  -3.866  -7.936 -10.311
  394   2HD   ARG  49          2HD       ARG  49  -3.492  -8.270  -8.620
  395    HE   ARG  49           HE       ARG  49  -6.309  -7.926  -9.361
  396   1HH1  ARG  49          1HH1      ARG  49  -3.688 -10.110  -8.548
  397   2HH1  ARG  49          2HH1      ARG  49  -4.747 -11.419  -8.106
  398   1HH2  ARG  49          1HH2      ARG  49  -7.703  -9.638  -8.775
  399   2HH2  ARG  49          2HH2      ARG  49  -7.028 -11.156  -8.255
  400    H    GLN  50           H        GLN  50  -4.474  -8.322  -4.871
  401    HA   GLN  50           HA       GLN  50  -4.347  -6.359  -2.687
  402   1HB   GLN  50          1HB       GLN  50  -4.653  -9.361  -2.677
  403   2HB   GLN  50          2HB       GLN  50  -4.339  -8.424  -1.224
  404   1HG   GLN  50          1HG       GLN  50  -6.427  -7.105  -1.799
  405   2HG   GLN  50          2HG       GLN  50  -6.758  -8.370  -2.986
  406   1HE2  GLN  50          1HE2      GLN  50  -8.732  -8.591  -1.587
  407   2HE2  GLN  50          2HE2      GLN  50  -8.609  -9.652  -0.218
  408    H    GLY  51           H        GLY  51  -2.534  -6.013  -1.566
  409   1HA   GLY  51          1HA       GLY  51  -0.380  -7.633  -1.290
  410   2HA   GLY  51          2HA       GLY  51   0.011  -6.770  -2.702
  411    H    PHE  52           H        PHE  52   1.805  -6.199  -1.155
  412    HA   PHE  52           HA       PHE  52   1.043  -4.240   0.861
  413   1HB   PHE  52          1HB       PHE  52   3.544  -5.810   0.329
  414   2HB   PHE  52          2HB       PHE  52   3.489  -4.491   1.498
  415    HD1  PHE  52           HD1      PHE  52   2.903  -4.935   3.675
  416    HD2  PHE  52           HD2      PHE  52   1.736  -7.660   0.602
  417    HE1  PHE  52           HE1      PHE  52   2.055  -6.494   5.383
  418    HE2  PHE  52           HE2      PHE  52   0.890  -9.222   2.317
  419    HZ   PHE  52           HZ       PHE  52   1.047  -8.640   4.704
  420    H    VAL  53           H        VAL  53   1.912  -2.248   1.048
  421    HA   VAL  53           HA       VAL  53   3.621  -1.178  -1.074
  422    HB   VAL  53           HB       VAL  53   2.279   0.840  -1.284
  423   1HG1  VAL  53          1HG1      VAL  53   0.291  -0.065  -2.405
  424   2HG1  VAL  53          2HG1      VAL  53   0.616  -1.633  -1.666
  425   3HG1  VAL  53          3HG1      VAL  53   1.758  -0.950  -2.825
  426   1HG2  VAL  53          1HG2      VAL  53   0.391  -0.480   0.663
  427   2HG2  VAL  53          2HG2      VAL  53   0.035   0.988  -0.247
  428   3HG2  VAL  53          3HG2      VAL  53   1.347   0.977   0.933
  429    HA   PRO  54           HA       PRO  54   5.737   0.832   2.266
  430   1HB   PRO  54          1HB       PRO  54   5.508   3.393   0.778
  431   2HB   PRO  54          2HB       PRO  54   6.956   2.576   1.371
  432   1HG   PRO  54          1HG       PRO  54   6.378   2.565  -1.221
  433   2HG   PRO  54          2HG       PRO  54   7.014   1.104  -0.438
  434   1HD   PRO  54          1HD       PRO  54   4.199   1.762  -1.224
  435   2HD   PRO  54          2HD       PRO  54   5.079   0.226  -1.375
  436    H    ALA  55           H        ALA  55   4.924   1.496   4.169
  437    HA   ALA  55           HA       ALA  55   2.317   2.575   4.444
  438   1HB   ALA  55          1HB       ALA  55   2.979   2.896   6.830
  439   2HB   ALA  55          2HB       ALA  55   4.602   2.364   6.393
  440   3HB   ALA  55          3HB       ALA  55   3.234   1.260   6.220
  441    H    ALA  56           H        ALA  56   5.439   3.997   4.011
  442    HA   ALA  56           HA       ALA  56   4.697   6.629   4.923
  443   1HB   ALA  56          1HB       ALA  56   7.065   5.891   3.201
  444   2HB   ALA  56          2HB       ALA  56   7.039   5.701   4.956
  445   3HB   ALA  56          3HB       ALA  56   6.877   7.305   4.244
  446    H    TYR  57           H        TYR  57   3.812   4.857   2.324
  447    HA   TYR  57           HA       TYR  57   3.718   7.166   0.480
  448   1HB   TYR  57          1HB       TYR  57   3.698   4.192   0.034
  449   2HB   TYR  57          2HB       TYR  57   3.012   5.276  -1.176
  450    HD1  TYR  57           HD1      TYR  57   4.424   5.458  -2.971
  451    HD2  TYR  57           HD2      TYR  57   6.113   5.396   0.936
  452    HE1  TYR  57           HE1      TYR  57   6.654   5.796  -3.939
  453    HE2  TYR  57           HE2      TYR  57   8.344   5.760  -0.017
  454    HH   TYR  57           HH       TYR  57   9.556   5.584  -1.999
  455    H    VAL  58           H        VAL  58   1.911   5.830   2.770
  456    HA   VAL  58           HA       VAL  58  -0.577   6.481   1.393
  457    HB   VAL  58           HB       VAL  58   0.282   3.866   2.100
  458   1HG1  VAL  58          1HG1      VAL  58  -2.096   4.818   3.656
  459   2HG1  VAL  58          2HG1      VAL  58  -0.614   4.085   4.273
  460   3HG1  VAL  58          3HG1      VAL  58  -1.753   3.119   3.327
  461   1HG2  VAL  58          1HG2      VAL  58  -0.902   4.463   0.074
  462   2HG2  VAL  58          2HG2      VAL  58  -2.345   4.842   1.017
  463   3HG2  VAL  58          3HG2      VAL  58  -1.743   3.183   0.951
  464    H    LYS  59           H        LYS  59  -2.247   7.206   2.769
  465    HA   LYS  59           HA       LYS  59  -1.514   7.667   5.580
  466   1HB   LYS  59          1HB       LYS  59  -1.110   9.839   4.979
  467   2HB   LYS  59          2HB       LYS  59  -1.977   9.669   3.460
  468   1HG   LYS  59          1HG       LYS  59  -3.800   9.647   5.690
  469   2HG   LYS  59          2HG       LYS  59  -2.778  11.085   5.710
  470   1HD   LYS  59          1HD       LYS  59  -3.507  11.771   3.589
  471   2HD   LYS  59          2HD       LYS  59  -4.158  10.178   3.203
  472   1HE   LYS  59          1HE       LYS  59  -5.942  11.775   3.684
  473   2HE   LYS  59          2HE       LYS  59  -5.907  10.467   4.865
  474   1HZ   LYS  59          1HZ       LYS  59  -4.553  13.048   5.370
  475   2HZ   LYS  59          2HZ       LYS  59  -5.013  11.862   6.492
  476   3HZ   LYS  59          3HZ       LYS  59  -6.194  12.818   5.734
  477    H    LYS  60           H        LYS  60  -3.141   7.516   7.022
  478    HA   LYS  60           HA       LYS  60  -5.506   6.118   6.400
  479   1HB   LYS  60          1HB       LYS  60  -4.397   7.387   8.814
  480   2HB   LYS  60          2HB       LYS  60  -6.132   7.520   8.721
  481   1HG   LYS  60          1HG       LYS  60  -5.426   5.619  10.056
  482   2HG   LYS  60          2HG       LYS  60  -6.357   5.104   8.654
  483   1HD   LYS  60          1HD       LYS  60  -4.588   4.107   7.694
  484   2HD   LYS  60          2HD       LYS  60  -3.419   5.236   8.348
  485   1HE   LYS  60          1HE       LYS  60  -3.361   2.813   9.260
  486   2HE   LYS  60          2HE       LYS  60  -3.368   4.094  10.433
  487   1HZ   LYS  60          1HZ       LYS  60  -5.871   2.783   9.589
  488   2HZ   LYS  60          2HZ       LYS  60  -5.576   3.714  10.977
  489   3HZ   LYS  60          3HZ       LYS  60  -4.908   2.167  10.838
  490    H    LEU  61           H        LEU  61  -7.302   6.814   5.385
  491    HA   LEU  61           HA       LEU  61  -7.760   9.656   5.066
  492   1HB   LEU  61          1HB       LEU  61  -9.290   7.226   4.138
  493   2HB   LEU  61          2HB       LEU  61  -9.862   8.859   3.869
  494    HG   LEU  61           HG       LEU  61  -7.215   7.843   2.845
  495   1HD1  LEU  61          1HD1      LEU  61  -8.300   7.575   0.707
  496   2HD1  LEU  61          2HD1      LEU  61  -9.840   8.085   1.395
  497   3HD1  LEU  61          3HD1      LEU  61  -9.101   6.572   1.916
  498   1HD2  LEU  61          1HD2      LEU  61  -7.082  10.158   2.821
  499   2HD2  LEU  61          2HD2      LEU  61  -8.806  10.355   2.503
  500   3HD2  LEU  61          3HD2      LEU  61  -7.730   9.799   1.222
  501    H    ASP  62           H        ASP  62  -8.651   7.208   7.204
  502    HA   ASP  62           HA       ASP  62 -10.922   8.742   8.264
  503   1HB   ASP  62          1HB       ASP  62 -11.479   6.422   7.781
  504   2HB   ASP  62          2HB       ASP  62 -10.105   5.861   8.728
  505   1H    ACE   0          1H        ACE   0   3.514 -11.962   3.310
  506   2H    ACE   0          2H        ACE   0   4.774 -12.058   2.084
  507   3H    ACE   0          3H        ACE   0   3.214 -11.365   1.650
  508    H    ALA   1           H        ALA   1   4.388 -10.646   4.771
  509    HA   ALA   1           HA       ALA   1   4.592  -7.849   4.090
  510   1HB   ALA   1          1HB       ALA   1   3.528  -8.576   6.184
  511   2HB   ALA   1          2HB       ALA   1   4.889  -7.494   6.477
  512   3HB   ALA   1          3HB       ALA   1   5.074  -9.228   6.732
  513    HA   PRO   2           HA       PRO   2   8.992  -8.189   3.260
  514   1HB   PRO   2          1HB       PRO   2   8.778  -5.254   3.050
  515   2HB   PRO   2          2HB       PRO   2   9.331  -6.428   1.852
  516   1HG   PRO   2          1HG       PRO   2   6.978  -5.180   1.584
  517   2HG   PRO   2          2HG       PRO   2   7.184  -6.876   1.105
  518   1HD   PRO   2          1HD       PRO   2   5.953  -5.744   3.595
  519   2HD   PRO   2          2HD       PRO   2   5.388  -7.086   2.574
  520    H    SER   3           H        SER   3  10.670  -8.100   4.637
  521    HA   SER   3           HA       SER   3  10.306  -6.533   7.098
  522   1HB   SER   3          1HB       SER   3  12.152  -8.884   6.639
  523   2HB   SER   3          2HB       SER   3  11.776  -8.120   8.183
  524    HG   SER   3           HG       SER   3   9.459  -8.707   7.322
  525    H    TYR   4           H        TYR   4  11.105  -4.950   5.133
  526    HA   TYR   4           HA       TYR   4  13.756  -4.177   5.971
  527   1HB   TYR   4          1HB       TYR   4  14.579  -3.958   3.607
  528   2HB   TYR   4          2HB       TYR   4  14.410  -5.617   4.169
  529    HD1  TYR   4           HD1      TYR   4  12.949  -3.022   1.988
  530    HD2  TYR   4           HD2      TYR   4  12.886  -7.124   3.108
  531    HE1  TYR   4           HE1      TYR   4  11.585  -3.534   0.011
  532    HE2  TYR   4           HE2      TYR   4  11.516  -7.647   1.133
  533    HH   TYR   4           HH       TYR   4  10.042  -6.577  -0.423
  534    H    SER   5           H        SER   5  14.357  -2.031   4.933
  535    HA   SER   5           HA       SER   5  12.133  -0.267   5.208
  536   1HB   SER   5          1HB       SER   5  14.923   0.366   4.227
  537   2HB   SER   5          2HB       SER   5  13.753   1.502   4.899
  538    HG   SER   5           HG       SER   5  13.920  -0.272   6.740
  539    HA   PRO   6           HA       PRO   6  10.936  -0.138   0.927
  540   1HB   PRO   6          1HB       PRO   6   9.169   1.874   1.062
  541   2HB   PRO   6          2HB       PRO   6   8.856   0.318   1.839
  542   1HG   PRO   6          1HG       PRO   6   9.816   2.880   3.045
  543   2HG   PRO   6          2HG       PRO   6   8.614   1.735   3.665
  544   1HD   PRO   6          1HD       PRO   6  11.231   1.829   4.496
  545   2HD   PRO   6          2HD       PRO   6  10.210   0.383   4.585
  546    HA   PRO   7           HA       PRO   7  13.216   2.932  -1.290
  547   1HB   PRO   7          1HB       PRO   7  11.428   3.759  -3.205
  548   2HB   PRO   7          2HB       PRO   7  12.342   2.248  -3.286
  549   1HG   PRO   7          1HG       PRO   7   9.524   2.714  -2.393
  550   2HG   PRO   7          2HG       PRO   7  10.179   1.408  -3.399
  551   1HD   PRO   7          1HD       PRO   7   9.628   1.036  -0.799
  552   2HD   PRO   7          2HD       PRO   7  11.022   0.255  -1.574
  553    HA   PRO   8           HA       PRO   8  12.205   6.749   0.736
  554   1HB   PRO   8          1HB       PRO   8  13.934   8.350  -0.672
  555   2HB   PRO   8          2HB       PRO   8  14.419   7.316   0.677
  556   1HG   PRO   8          1HG       PRO   8  14.608   6.805  -2.266
  557   2HG   PRO   8          2HG       PRO   8  15.801   6.478  -0.994
  558   1HD   PRO   8          1HD       PRO   8  14.265   4.527  -2.003
  559   2HD   PRO   8          2HD       PRO   8  14.697   4.565  -0.280
  560    HA   PRO   9           HA       PRO   9   9.008   8.296  -1.963
  561   1HB   PRO   9          1HB       PRO   9   9.134  10.569  -0.045
  562   2HB   PRO   9          2HB       PRO   9   7.744   9.617  -0.575
  563   1HG   PRO   9          1HG       PRO   9   8.797   9.245   1.839
  564   2HG   PRO   9          2HG       PRO   9   8.216   7.872   0.876
  565   1HD   PRO   9          1HD       PRO   9  11.013   8.792   1.378
  566   2HD   PRO   9          2HD       PRO   9  10.374   7.140   1.248
  567    HA   PRO  10           HA       PRO  10  11.220  11.019  -4.662
  568   1HB   PRO  10          1HB       PRO  10   8.534  11.958  -5.477
  569   2HB   PRO  10          2HB       PRO  10   9.823  11.251  -6.457
  570   1HG   PRO  10          1HG       PRO  10   7.630   9.854  -5.857
  571   2HG   PRO  10          2HG       PRO  10   9.226   9.083  -5.916
  572   1HD   PRO  10          1HD       PRO  10   7.617   9.932  -3.540
  573   2HD   PRO  10          2HD       PRO  10   8.605   8.474  -3.771
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1 -10.237  -8.606  -1.127
    2   2H    MET   1          2H        MET   1 -10.094  -7.903  -2.665
    3   3H    MET   1          3H        MET   1  -9.748  -9.547  -2.450
    4    HA   MET   1           HA       MET   1 -11.936  -9.054  -3.497
    5   1HB   MET   1          1HB       MET   1 -11.502 -10.723  -1.069
    6   2HB   MET   1          2HB       MET   1 -13.143 -10.575  -1.685
    7   1HG   MET   1          1HG       MET   1 -10.747 -11.592  -3.200
    8   2HG   MET   1          2HG       MET   1 -12.074 -12.557  -2.557
    9   1HE   MET   1          1HE       MET   1 -13.121 -13.714  -4.576
   10   2HE   MET   1          2HE       MET   1 -11.568 -13.300  -5.303
   11   3HE   MET   1          3HE       MET   1 -13.063 -13.023  -6.198
   12    H    ASP   2           H        ASP   2 -11.675  -6.568  -2.467
   13    HA   ASP   2           HA       ASP   2 -14.231  -6.256  -1.038
   14   1HB   ASP   2          1HB       ASP   2 -12.059  -5.935   0.427
   15   2HB   ASP   2          2HB       ASP   2 -11.977  -4.376  -0.390
   16    H    GLU   3           H        GLU   3 -14.867  -3.833  -1.103
   17    HA   GLU   3           HA       GLU   3 -14.221  -2.813  -3.813
   18   1HB   GLU   3          1HB       GLU   3 -16.584  -3.755  -3.463
   19   2HB   GLU   3          2HB       GLU   3 -16.856  -2.375  -2.393
   20   1HG   GLU   3          1HG       GLU   3 -16.478  -0.849  -4.238
   21   2HG   GLU   3          2HG       GLU   3 -16.092  -2.200  -5.305
   22    H    THR   4           H        THR   4 -12.675  -2.144  -1.647
   23    HA   THR   4           HA       THR   4 -11.837  -0.417  -0.435
   24    HB   THR   4           HB       THR   4 -13.309   1.509  -2.213
   25    HG1  THR   4           HG1      THR   4 -11.414  -0.430  -2.980
   26   1HG2  THR   4          1HG2      THR   4 -11.296   2.779  -2.167
   27   2HG2  THR   4          2HG2      THR   4 -10.390   1.441  -1.466
   28   3HG2  THR   4          3HG2      THR   4 -11.613   2.279  -0.506
   29    H    GLY   5           H        GLY   5 -13.997  -1.507   0.797
   30   1HA   GLY   5          1HA       GLY   5 -15.399   0.866   1.876
   31   2HA   GLY   5          2HA       GLY   5 -16.219  -0.668   1.628
   32    H    LYS   6           H        LYS   6 -13.645   0.906   3.410
   33    HA   LYS   6           HA       LYS   6 -14.246   0.136   5.953
   34   1HB   LYS   6          1HB       LYS   6 -12.599  -1.645   6.445
   35   2HB   LYS   6          2HB       LYS   6 -13.912  -2.171   5.408
   36   1HG   LYS   6          1HG       LYS   6 -12.356  -1.803   3.453
   37   2HG   LYS   6          2HG       LYS   6 -11.071  -1.616   4.650
   38   1HD   LYS   6          1HD       LYS   6 -11.607  -3.960   3.536
   39   2HD   LYS   6          2HD       LYS   6 -11.074  -3.827   5.209
   40   1HE   LYS   6          1HE       LYS   6 -12.937  -5.355   5.089
   41   2HE   LYS   6          2HE       LYS   6 -13.437  -3.894   5.933
   42   1HZ   LYS   6          1HZ       LYS   6 -15.123  -4.629   4.375
   43   2HZ   LYS   6          2HZ       LYS   6 -14.027  -4.540   3.089
   44   3HZ   LYS   6          3HZ       LYS   6 -14.504  -3.128   3.897
   45    H    GLU   7           H        GLU   7 -11.387  -0.482   6.576
   46    HA   GLU   7           HA       GLU   7 -10.442   2.093   7.070
   47   1HB   GLU   7          1HB       GLU   7  -9.532  -0.521   7.509
   48   2HB   GLU   7          2HB       GLU   7  -8.264   0.237   6.565
   49   1HG   GLU   7          1HG       GLU   7  -9.203   0.830   9.314
   50   2HG   GLU   7          2HG       GLU   7  -7.571   0.689   8.683
   51    H    LEU   8           H        LEU   8  -9.660   3.629   5.694
   52    HA   LEU   8           HA       LEU   8  -8.666   2.679   3.096
   53   1HB   LEU   8          1HB       LEU   8 -10.267   5.175   3.589
   54   2HB   LEU   8          2HB       LEU   8  -9.588   4.679   2.047
   55    HG   LEU   8           HG       LEU   8 -11.625   3.126   3.600
   56   1HD1  LEU   8          1HD1      LEU   8 -13.221   3.798   1.867
   57   2HD1  LEU   8          2HD1      LEU   8 -11.996   4.847   1.154
   58   3HD1  LEU   8          3HD1      LEU   8 -12.618   5.184   2.772
   59   1HD2  LEU   8          1HD2      LEU   8 -11.853   1.816   1.541
   60   2HD2  LEU   8          2HD2      LEU   8 -10.241   1.698   2.244
   61   3HD2  LEU   8          3HD2      LEU   8 -10.517   2.725   0.837
   62    H    VAL   9           H        VAL   9  -7.293   4.057   1.976
   63    HA   VAL   9           HA       VAL   9  -5.808   6.012   3.556
   64    HB   VAL   9           HB       VAL   9  -3.653   4.978   2.588
   65   1HG1  VAL   9          1HG1      VAL   9  -3.423   3.499   4.547
   66   2HG1  VAL   9          2HG1      VAL   9  -5.148   3.709   4.862
   67   3HG1  VAL   9          3HG1      VAL   9  -4.059   5.098   4.929
   68   1HG2  VAL   9          1HG2      VAL   9  -5.481   2.587   2.510
   69   2HG2  VAL   9          2HG2      VAL   9  -3.722   2.529   2.386
   70   3HG2  VAL   9          3HG2      VAL   9  -4.667   3.344   1.140
   71    H    LEU  10           H        LEU  10  -4.377   7.296   2.328
   72    HA   LEU  10           HA       LEU  10  -5.228   7.568  -0.485
   73   1HB   LEU  10          1HB       LEU  10  -5.833   9.495   0.809
   74   2HB   LEU  10          2HB       LEU  10  -4.232   9.590   1.519
   75    HG   LEU  10           HG       LEU  10  -3.484   9.920  -0.985
   76   1HD1  LEU  10          1HD1      LEU  10  -5.240  11.359  -2.119
   77   2HD1  LEU  10          2HD1      LEU  10  -6.398  10.641  -0.998
   78   3HD1  LEU  10          3HD1      LEU  10  -5.510   9.617  -2.128
   79   1HD2  LEU  10          1HD2      LEU  10  -3.654  12.336  -0.656
   80   2HD2  LEU  10          2HD2      LEU  10  -3.131  11.513   0.814
   81   3HD2  LEU  10          3HD2      LEU  10  -4.797  12.075   0.661
   82    H    ALA  11           H        ALA  11  -3.712   7.425  -2.057
   83    HA   ALA  11           HA       ALA  11  -1.036   6.680  -1.292
   84   1HB   ALA  11          1HB       ALA  11  -1.794   7.178  -4.137
   85   2HB   ALA  11          2HB       ALA  11  -2.522   5.816  -3.281
   86   3HB   ALA  11          3HB       ALA  11  -0.770   5.918  -3.443
   87    H    LEU  12           H        LEU  12   0.311   8.255  -0.691
   88    HA   LEU  12           HA       LEU  12   0.122  10.945  -1.519
   89   1HB   LEU  12          1HB       LEU  12   2.173   9.350  -0.016
   90   2HB   LEU  12          2HB       LEU  12   2.482  11.022  -0.471
   91    HG   LEU  12           HG       LEU  12   0.384  11.660   0.741
   92   1HD1  LEU  12          1HD1      LEU  12   0.538   9.004   2.095
   93   2HD1  LEU  12          2HD1      LEU  12  -0.483   9.263   0.679
   94   3HD1  LEU  12          3HD1      LEU  12  -0.750  10.213   2.140
   95   1HD2  LEU  12          1HD2      LEU  12   1.417  11.516   2.976
   96   2HD2  LEU  12          2HD2      LEU  12   2.583  11.997   1.742
   97   3HD2  LEU  12          3HD2      LEU  12   2.572  10.341   2.348
   98    H    TYR  13           H        TYR  13   2.063   8.226  -2.633
   99    HA   TYR  13           HA       TYR  13   2.949   9.874  -4.879
  100   1HB   TYR  13          1HB       TYR  13   4.991   8.028  -3.746
  101   2HB   TYR  13          2HB       TYR  13   5.204   9.561  -4.583
  102    HD1  TYR  13           HD1      TYR  13   4.955  11.695  -3.326
  103    HD2  TYR  13           HD2      TYR  13   4.857   7.922  -1.366
  104    HE1  TYR  13           HE1      TYR  13   5.359  12.810  -1.175
  105    HE2  TYR  13           HE2      TYR  13   5.264   9.028   0.791
  106    HH   TYR  13           HH       TYR  13   5.014  12.411   1.197
  107    H    ASP  14           H        ASP  14   4.095   8.435  -6.525
  108    HA   ASP  14           HA       ASP  14   2.414   6.173  -7.066
  109   1HB   ASP  14          1HB       ASP  14   3.773   6.031  -9.176
  110   2HB   ASP  14          2HB       ASP  14   2.989   7.592  -8.948
  111    H    TYR  15           H        TYR  15   3.076   4.088  -7.150
  112    HA   TYR  15           HA       TYR  15   5.809   3.427  -6.397
  113   1HB   TYR  15          1HB       TYR  15   4.686   3.550  -4.242
  114   2HB   TYR  15          2HB       TYR  15   3.394   2.501  -4.823
  115    HD1  TYR  15           HD1      TYR  15   3.532   0.221  -4.403
  116    HD2  TYR  15           HD2      TYR  15   7.091   2.550  -4.389
  117    HE1  TYR  15           HE1      TYR  15   4.818  -1.757  -3.710
  118    HE2  TYR  15           HE2      TYR  15   8.381   0.588  -3.699
  119    HH   TYR  15           HH       TYR  15   7.012  -2.594  -3.664
  120    H    GLN  16           H        GLN  16   6.469   1.411  -7.133
  121    HA   GLN  16           HA       GLN  16   4.469  -0.076  -8.724
  122   1HB   GLN  16          1HB       GLN  16   6.435   1.217  -9.896
  123   2HB   GLN  16          2HB       GLN  16   7.396  -0.160  -9.369
  124   1HG   GLN  16          1HG       GLN  16   6.736  -1.226 -11.193
  125   2HG   GLN  16          2HG       GLN  16   5.109  -1.264 -10.516
  126   1HE2  GLN  16          1HE2      GLN  16   4.925   1.691 -10.666
  127   2HE2  GLN  16          2HE2      GLN  16   4.616   2.044 -12.334
  128    H    GLU  17           H        GLU  17   4.374  -2.242  -8.462
  129    HA   GLU  17           HA       GLU  17   5.345  -3.379  -6.082
  130   1HB   GLU  17          1HB       GLU  17   4.460  -5.501  -6.993
  131   2HB   GLU  17          2HB       GLU  17   3.313  -4.176  -7.134
  132   1HG   GLU  17          1HG       GLU  17   4.259  -3.908  -9.518
  133   2HG   GLU  17          2HG       GLU  17   4.891  -5.537  -9.279
  134    H    LYS  18           H        LYS  18   6.895  -5.005  -5.724
  135    HA   LYS  18           HA       LYS  18   8.997  -5.123  -7.782
  136   1HB   LYS  18          1HB       LYS  18   9.317  -5.679  -4.824
  137   2HB   LYS  18          2HB       LYS  18  10.595  -5.533  -6.020
  138   1HG   LYS  18          1HG       LYS  18  10.081  -3.157  -6.305
  139   2HG   LYS  18          2HG       LYS  18   8.752  -3.298  -5.152
  140   1HD   LYS  18          1HD       LYS  18  11.610  -3.953  -4.453
  141   2HD   LYS  18          2HD       LYS  18  10.914  -2.345  -4.254
  142   1HE   LYS  18          1HE       LYS  18  10.674  -3.326  -2.140
  143   2HE   LYS  18          2HE       LYS  18   9.086  -3.511  -2.884
  144   1HZ   LYS  18          1HZ       LYS  18  11.024  -5.687  -3.207
  145   2HZ   LYS  18          2HZ       LYS  18   9.331  -5.756  -3.070
  146   3HZ   LYS  18          3HZ       LYS  18  10.288  -5.499  -1.693
  147    H    SER  19           H        SER  19   7.288  -7.023  -5.331
  148    HA   SER  19           HA       SER  19   7.848  -9.425  -6.931
  149   1HB   SER  19          1HB       SER  19   7.876 -10.708  -4.810
  150   2HB   SER  19          2HB       SER  19   9.153  -9.483  -4.849
  151    HG   SER  19           HG       SER  19   7.742  -8.134  -3.588
  152    HA   PRO  20           HA       PRO  20   3.522 -10.391  -7.080
  153   1HB   PRO  20          1HB       PRO  20   3.993 -12.798  -5.377
  154   2HB   PRO  20          2HB       PRO  20   3.175 -12.674  -6.945
  155   1HG   PRO  20          1HG       PRO  20   5.604 -13.671  -6.849
  156   2HG   PRO  20          2HG       PRO  20   5.214 -12.475  -8.107
  157   1HD   PRO  20          1HD       PRO  20   6.658 -12.086  -5.507
  158   2HD   PRO  20          2HD       PRO  20   7.091 -11.482  -7.125
  159    H    ALA  21           H        ALA  21   5.006 -10.143  -3.978
  160    HA   ALA  21           HA       ALA  21   2.501 -10.220  -2.525
  161   1HB   ALA  21          1HB       ALA  21   3.894  -9.670  -0.548
  162   2HB   ALA  21          2HB       ALA  21   5.309  -9.623  -1.608
  163   3HB   ALA  21          3HB       ALA  21   4.413 -11.129  -1.398
  164    H    GLU  22           H        GLU  22   4.327  -7.885  -4.199
  165    HA   GLU  22           HA       GLU  22   3.113  -5.687  -2.663
  166   1HB   GLU  22          1HB       GLU  22   5.408  -5.720  -4.627
  167   2HB   GLU  22          2HB       GLU  22   4.618  -4.231  -4.144
  168   1HG   GLU  22          1HG       GLU  22   6.237  -4.189  -2.584
  169   2HG   GLU  22          2HG       GLU  22   5.150  -5.273  -1.721
  170    H    VAL  23           H        VAL  23   2.039  -3.955  -3.793
  171    HA   VAL  23           HA       VAL  23   1.022  -4.736  -6.444
  172    HB   VAL  23           HB       VAL  23  -1.119  -3.484  -5.742
  173   1HG1  VAL  23          1HG1      VAL  23  -0.452  -6.176  -4.612
  174   2HG1  VAL  23          2HG1      VAL  23  -1.147  -5.819  -6.195
  175   3HG1  VAL  23          3HG1      VAL  23  -2.081  -5.512  -4.731
  176   1HG2  VAL  23          1HG2      VAL  23  -0.930  -2.509  -3.727
  177   2HG2  VAL  23          2HG2      VAL  23   0.288  -3.652  -3.164
  178   3HG2  VAL  23          3HG2      VAL  23  -1.416  -4.100  -3.147
  179    H    THR  24           H        THR  24   0.477  -3.006  -7.846
  180    HA   THR  24           HA       THR  24   2.176  -0.688  -7.444
  181    HB   THR  24           HB       THR  24   0.516  -1.488  -9.838
  182    HG1  THR  24           HG1      THR  24   2.123  -3.031  -9.422
  183   1HG2  THR  24          1HG2      THR  24   0.974   0.802 -10.100
  184   2HG2  THR  24          2HG2      THR  24   2.240  -0.012 -11.020
  185   3HG2  THR  24          3HG2      THR  24   2.594   0.642  -9.422
  186    H    MET  25           H        MET  25   1.512   1.371  -7.135
  187    HA   MET  25           HA       MET  25  -1.350   1.991  -7.270
  188   1HB   MET  25          1HB       MET  25  -1.352   3.082  -5.123
  189   2HB   MET  25          2HB       MET  25  -0.748   1.437  -4.900
  190   1HG   MET  25          1HG       MET  25   1.430   2.148  -4.528
  191   2HG   MET  25          2HG       MET  25   1.157   3.710  -5.309
  192   1HE   MET  25          1HE       MET  25  -1.560   2.378  -2.920
  193   2HE   MET  25          2HE       MET  25  -0.977   2.843  -1.322
  194   3HE   MET  25          3HE       MET  25  -0.168   1.557  -2.218
  195    H    LYS  26           H        LYS  26  -1.774   4.339  -7.299
  196    HA   LYS  26           HA       LYS  26   0.528   5.873  -8.269
  197   1HB   LYS  26          1HB       LYS  26  -2.260   6.007  -9.432
  198   2HB   LYS  26          2HB       LYS  26  -0.876   6.954  -9.959
  199   1HG   LYS  26          1HG       LYS  26  -0.733   5.358 -11.529
  200   2HG   LYS  26          2HG       LYS  26   0.111   4.466 -10.257
  201   1HD   LYS  26          1HD       LYS  26  -1.510   2.977 -11.084
  202   2HD   LYS  26          2HD       LYS  26  -2.166   3.600  -9.567
  203   1HE   LYS  26          1HE       LYS  26  -3.230   5.408 -11.157
  204   2HE   LYS  26          2HE       LYS  26  -3.011   4.154 -12.374
  205   1HZ   LYS  26          1HZ       LYS  26  -5.171   3.919 -11.475
  206   2HZ   LYS  26          2HZ       LYS  26  -4.605   3.990  -9.877
  207   3HZ   LYS  26          3HZ       LYS  26  -4.249   2.641 -10.844
  208    H    LYS  27           H        LYS  27   0.373   8.164  -7.971
  209    HA   LYS  27           HA       LYS  27  -0.661   8.960  -5.482
  210   1HB   LYS  27          1HB       LYS  27   1.101  10.292  -6.209
  211   2HB   LYS  27          2HB       LYS  27   0.501  10.379  -7.857
  212   1HG   LYS  27          1HG       LYS  27   0.222  12.530  -7.054
  213   2HG   LYS  27          2HG       LYS  27  -1.384  11.823  -6.887
  214   1HD   LYS  27          1HD       LYS  27  -1.192  11.629  -4.577
  215   2HD   LYS  27          2HD       LYS  27   0.569  11.754  -4.618
  216   1HE   LYS  27          1HE       LYS  27   0.096  14.127  -5.584
  217   2HE   LYS  27          2HE       LYS  27  -1.495  13.901  -4.857
  218   1HZ   LYS  27          1HZ       LYS  27   0.014  15.030  -3.349
  219   2HZ   LYS  27          2HZ       LYS  27   1.103  13.732  -3.421
  220   3HZ   LYS  27          3HZ       LYS  27  -0.430  13.517  -2.724
  221    H    GLY  28           H        GLY  28  -2.640   9.559  -4.872
  222   1HA   GLY  28          1HA       GLY  28  -4.669  10.844  -5.184
  223   2HA   GLY  28          2HA       GLY  28  -4.478  10.624  -6.922
  224    H    ASP  29           H        ASP  29  -3.809   7.708  -5.545
  225    HA   ASP  29           HA       ASP  29  -6.455   6.695  -6.224
  226   1HB   ASP  29          1HB       ASP  29  -3.862   5.715  -6.640
  227   2HB   ASP  29          2HB       ASP  29  -4.544   4.674  -5.389
  228    H    ILE  30           H        ILE  30  -7.775   5.639  -4.793
  229    HA   ILE  30           HA       ILE  30  -7.059   5.930  -1.966
  230    HB   ILE  30           HB       ILE  30  -9.725   5.609  -3.355
  231   1HG1  ILE  30          1HG1      ILE  30 -10.312   7.656  -2.114
  232   2HG1  ILE  30          2HG1      ILE  30  -8.720   7.677  -1.372
  233   1HG2  ILE  30          1HG2      ILE  30  -9.144   5.289  -0.417
  234   2HG2  ILE  30          2HG2      ILE  30  -9.865   4.106  -1.509
  235   3HG2  ILE  30          3HG2      ILE  30 -10.756   5.565  -1.081
  236   1HD1  ILE  30          1HD1      ILE  30  -8.858   9.295  -3.163
  237   2HD1  ILE  30          2HD1      ILE  30  -9.337   8.035  -4.300
  238   3HD1  ILE  30          3HD1      ILE  30  -7.721   8.017  -3.595
  239    H    LEU  31           H        LEU  31  -6.295   4.230  -0.973
  240    HA   LEU  31           HA       LEU  31  -6.734   1.570  -2.133
  241   1HB   LEU  31          1HB       LEU  31  -4.627   2.768  -0.404
  242   2HB   LEU  31          2HB       LEU  31  -4.878   1.043  -0.361
  243    HG   LEU  31           HG       LEU  31  -3.028   1.787  -1.847
  244   1HD1  LEU  31          1HD1      LEU  31  -5.321   0.292  -3.080
  245   2HD1  LEU  31          2HD1      LEU  31  -3.969  -0.372  -2.161
  246   3HD1  LEU  31          3HD1      LEU  31  -3.691   0.346  -3.748
  247   1HD2  LEU  31          1HD2      LEU  31  -5.248   2.876  -3.569
  248   2HD2  LEU  31          2HD2      LEU  31  -3.548   2.742  -4.025
  249   3HD2  LEU  31          3HD2      LEU  31  -4.031   3.834  -2.724
  250    H    THR  32           H        THR  32  -7.435  -0.138  -0.936
  251    HA   THR  32           HA       THR  32  -8.904   0.454   1.498
  252    HB   THR  32           HB       THR  32  -8.714  -2.259   0.221
  253    HG1  THR  32           HG1      THR  32 -10.191  -1.688  -1.303
  254   1HG2  THR  32          1HG2      THR  32 -10.332  -0.945   2.229
  255   2HG2  THR  32          2HG2      THR  32 -10.169  -2.664   1.859
  256   3HG2  THR  32          3HG2      THR  32 -11.325  -1.672   0.963
  257    H    LEU  33           H        LEU  33  -8.014   0.104   3.461
  258    HA   LEU  33           HA       LEU  33  -5.465  -1.209   3.680
  259   1HB   LEU  33          1HB       LEU  33  -7.114   0.484   5.349
  260   2HB   LEU  33          2HB       LEU  33  -6.445  -0.855   6.257
  261    HG   LEU  33           HG       LEU  33  -4.925   1.257   4.742
  262   1HD1  LEU  33          1HD1      LEU  33  -5.064   0.518   7.663
  263   2HD1  LEU  33          2HD1      LEU  33  -5.798   1.936   6.913
  264   3HD1  LEU  33          3HD1      LEU  33  -4.040   1.773   6.963
  265   1HD2  LEU  33          1HD2      LEU  33  -3.761  -0.842   4.429
  266   2HD2  LEU  33          2HD2      LEU  33  -3.880  -1.197   6.153
  267   3HD2  LEU  33          3HD2      LEU  33  -2.887   0.154   5.595
  268    H    LEU  34           H        LEU  34  -5.178  -3.281   3.874
  269    HA   LEU  34           HA       LEU  34  -7.367  -4.970   4.859
  270   1HB   LEU  34          1HB       LEU  34  -4.833  -5.826   3.460
  271   2HB   LEU  34          2HB       LEU  34  -6.264  -6.796   3.743
  272    HG   LEU  34           HG       LEU  34  -6.114  -4.398   1.919
  273   1HD1  LEU  34          1HD1      LEU  34  -6.332  -7.326   1.262
  274   2HD1  LEU  34          2HD1      LEU  34  -4.867  -6.356   1.113
  275   3HD1  LEU  34          3HD1      LEU  34  -6.272  -5.986   0.113
  276   1HD2  LEU  34          1HD2      LEU  34  -8.346  -5.304   1.145
  277   2HD2  LEU  34          2HD2      LEU  34  -8.333  -4.517   2.724
  278   3HD2  LEU  34          3HD2      LEU  34  -8.355  -6.279   2.614
  279    H    ASN  35           H        ASN  35  -3.938  -4.272   5.290
  280    HA   ASN  35           HA       ASN  35  -4.089  -5.101   8.058
  281   1HB   ASN  35          1HB       ASN  35  -3.490  -7.171   6.687
  282   2HB   ASN  35          2HB       ASN  35  -1.981  -6.357   6.295
  283   1HD2  ASN  35          1HD2      ASN  35  -2.665  -8.816   7.866
  284   2HD2  ASN  35          2HD2      ASN  35  -1.852  -8.607   9.378
  285    H    SER  36           H        SER  36  -2.960  -3.679   9.231
  286    HA   SER  36           HA       SER  36  -0.685  -2.332   7.959
  287   1HB   SER  36          1HB       SER  36  -1.532  -0.289   9.379
  288   2HB   SER  36          2HB       SER  36  -2.259  -0.632   7.801
  289    HG   SER  36           HG       SER  36  -3.369  -0.699  10.298
  290    H    THR  37           H        THR  37  -0.660  -4.571   9.750
  291    HA   THR  37           HA       THR  37  -0.058  -3.624  12.388
  292    HB   THR  37           HB       THR  37  -0.905  -5.945  11.815
  293    HG1  THR  37           HG1      THR  37   0.660  -5.091  13.755
  294   1HG2  THR  37          1HG2      THR  37   2.004  -6.373  11.125
  295   2HG2  THR  37          2HG2      THR  37   0.635  -6.504  10.020
  296   3HG2  THR  37          3HG2      THR  37   0.811  -7.652  11.346
  297    H    ASN  38           H        ASN  38   1.602  -3.463   9.532
  298    HA   ASN  38           HA       ASN  38   4.261  -3.602  10.778
  299   1HB   ASN  38          1HB       ASN  38   3.753  -4.919   8.688
  300   2HB   ASN  38          2HB       ASN  38   3.523  -3.398   7.847
  301   1HD2  ASN  38          1HD2      ASN  38   5.382  -5.472   7.209
  302   2HD2  ASN  38          2HD2      ASN  38   6.971  -4.797   7.335
  303    H    LYS  39           H        LYS  39   5.696  -1.730  10.499
  304    HA   LYS  39           HA       LYS  39   4.123   0.736  10.285
  305   1HB   LYS  39          1HB       LYS  39   5.919   1.851  11.451
  306   2HB   LYS  39          2HB       LYS  39   5.391   0.443  12.354
  307   1HG   LYS  39          1HG       LYS  39   7.361  -0.728  11.881
  308   2HG   LYS  39          2HG       LYS  39   7.781   0.342  10.543
  309   1HD   LYS  39          1HD       LYS  39   7.669   1.206  13.425
  310   2HD   LYS  39          2HD       LYS  39   9.144   0.689  12.603
  311   1HE   LYS  39          1HE       LYS  39   8.655   2.492  10.890
  312   2HE   LYS  39          2HE       LYS  39   7.422   3.084  12.004
  313   1HZ   LYS  39          1HZ       LYS  39   9.557   4.238  12.239
  314   2HZ   LYS  39          2HZ       LYS  39  10.299   2.772  12.668
  315   3HZ   LYS  39          3HZ       LYS  39   9.103   3.443  13.667
  316    H    ASP  40           H        ASP  40   6.169  -1.059   8.354
  317    HA   ASP  40           HA       ASP  40   6.946   1.371   6.876
  318   1HB   ASP  40          1HB       ASP  40   8.363  -1.251   7.242
  319   2HB   ASP  40          2HB       ASP  40   8.703  -0.230   5.837
  320    H    TRP  41           H        TRP  41   5.318  -1.657   6.705
  321    HA   TRP  41           HA       TRP  41   4.643  -1.113   3.903
  322   1HB   TRP  41          1HB       TRP  41   5.353  -3.796   5.109
  323   2HB   TRP  41          2HB       TRP  41   4.630  -3.589   3.527
  324    HD1  TRP  41           HD1      TRP  41   7.919  -3.173   5.388
  325    HE1  TRP  41           HE1      TRP  41   9.810  -2.839   3.666
  326    HE3  TRP  41           HE3      TRP  41   5.090  -2.625   1.167
  327    HZ2  TRP  41           HZ2      TRP  41  10.059  -2.388   0.895
  328    HZ3  TRP  41           HZ3      TRP  41   6.229  -2.240  -0.976
  329    HH2  TRP  41           HH2      TRP  41   8.663  -2.124  -1.108
  330    H    TRP  42           H        TRP  42   2.511  -1.179   3.473
  331    HA   TRP  42           HA       TRP  42   0.743  -2.386   5.499
  332   1HB   TRP  42          1HB       TRP  42   0.498   0.222   4.014
  333   2HB   TRP  42          2HB       TRP  42  -0.945  -0.611   4.600
  334    HD1  TRP  42           HD1      TRP  42   1.697  -1.242   7.017
  335    HE1  TRP  42           HE1      TRP  42   1.536   0.317   9.042
  336    HE3  TRP  42           HE3      TRP  42  -1.546   2.182   5.125
  337    HZ2  TRP  42           HZ2      TRP  42   0.203   2.699   9.736
  338    HZ3  TRP  42           HZ3      TRP  42  -2.236   4.087   6.540
  339    HH2  TRP  42           HH2      TRP  42  -1.367   4.331   8.797
  340    H    LYS  43           H        LYS  43  -0.798  -3.777   4.759
  341    HA   LYS  43           HA       LYS  43  -0.661  -4.449   1.926
  342   1HB   LYS  43          1HB       LYS  43  -0.603  -6.260   3.656
  343   2HB   LYS  43          2HB       LYS  43  -2.246  -5.820   4.111
  344   1HG   LYS  43          1HG       LYS  43  -3.054  -6.396   1.887
  345   2HG   LYS  43          2HG       LYS  43  -1.406  -6.759   1.369
  346   1HD   LYS  43          1HD       LYS  43  -3.143  -8.630   2.237
  347   2HD   LYS  43          2HD       LYS  43  -1.394  -8.783   2.359
  348   1HE   LYS  43          1HE       LYS  43  -1.537  -7.830   4.656
  349   2HE   LYS  43          2HE       LYS  43  -3.305  -7.880   4.513
  350   1HZ   LYS  43          1HZ       LYS  43  -2.603 -10.388   3.826
  351   2HZ   LYS  43          2HZ       LYS  43  -3.085  -9.910   5.380
  352   3HZ   LYS  43          3HZ       LYS  43  -1.434 -10.024   5.005
  353    H    VAL  44           H        VAL  44  -2.033  -3.699   0.517
  354    HA   VAL  44           HA       VAL  44  -4.721  -2.892   1.383
  355    HB   VAL  44           HB       VAL  44  -4.508  -0.906  -0.178
  356   1HG1  VAL  44          1HG1      VAL  44  -4.484  -0.620   2.238
  357   2HG1  VAL  44          2HG1      VAL  44  -3.352   0.501   1.481
  358   3HG1  VAL  44          3HG1      VAL  44  -2.751  -0.953   2.277
  359   1HG2  VAL  44          1HG2      VAL  44  -1.573  -1.573   0.062
  360   2HG2  VAL  44          2HG2      VAL  44  -2.228  -0.087  -0.626
  361   3HG2  VAL  44          3HG2      VAL  44  -2.544  -1.634  -1.411
  362    H    GLU  45           H        GLU  45  -6.126  -2.452  -0.589
  363    HA   GLU  45           HA       GLU  45  -5.381  -4.258  -2.791
  364   1HB   GLU  45          1HB       GLU  45  -7.172  -5.223  -1.365
  365   2HB   GLU  45          2HB       GLU  45  -8.168  -3.812  -1.699
  366   1HG   GLU  45          1HG       GLU  45  -8.152  -4.366  -4.086
  367   2HG   GLU  45          2HG       GLU  45  -7.166  -5.785  -3.741
  368    H    VAL  46           H        VAL  46  -5.261  -3.333  -4.693
  369    HA   VAL  46           HA       VAL  46  -6.661  -0.773  -5.140
  370    HB   VAL  46           HB       VAL  46  -4.931  -1.273  -7.298
  371   1HG1  VAL  46          1HG1      VAL  46  -4.341   0.651  -5.086
  372   2HG1  VAL  46          2HG1      VAL  46  -5.692   0.879  -6.197
  373   3HG1  VAL  46          3HG1      VAL  46  -4.044   0.819  -6.817
  374   1HG2  VAL  46          1HG2      VAL  46  -2.731  -1.391  -6.214
  375   2HG2  VAL  46          2HG2      VAL  46  -3.693  -2.853  -6.001
  376   3HG2  VAL  46          3HG2      VAL  46  -3.532  -1.701  -4.674
  377    H    ASN  47           H        ASN  47  -8.419  -1.023  -6.278
  378    HA   ASN  47           HA       ASN  47  -9.946  -1.594  -7.779
  379   1HB   ASN  47          1HB       ASN  47  -9.300  -2.191 -10.002
  380   2HB   ASN  47          2HB       ASN  47  -8.229  -0.963  -9.412
  381   1HD2  ASN  47          1HD2      ASN  47  -6.042  -1.346  -9.540
  382   2HD2  ASN  47          2HD2      ASN  47  -5.360  -2.841 -10.065
  383    H    ASP  48           H        ASP  48  -7.631  -4.184  -7.710
  384    HA   ASP  48           HA       ASP  48  -9.507  -6.075  -6.618
  385   1HB   ASP  48          1HB       ASP  48 -10.199  -6.070  -8.995
  386   2HB   ASP  48          2HB       ASP  48  -8.550  -6.491  -9.460
  387    H    ARG  49           H        ARG  49  -6.417  -4.997  -7.193
  388    HA   ARG  49           HA       ARG  49  -5.185  -7.620  -6.816
  389   1HB   ARG  49          1HB       ARG  49  -3.947  -4.929  -7.420
  390   2HB   ARG  49          2HB       ARG  49  -3.046  -6.426  -7.234
  391   1HG   ARG  49          1HG       ARG  49  -5.117  -5.883  -9.358
  392   2HG   ARG  49          2HG       ARG  49  -3.372  -5.830  -9.584
  393   1HD   ARG  49          1HD       ARG  49  -3.846  -7.941 -10.345
  394   2HD   ARG  49          2HD       ARG  49  -3.463  -8.272  -8.658
  395    HE   ARG  49           HE       ARG  49  -6.279  -7.840  -9.284
  396   1HH1  ARG  49          1HH1      ARG  49  -3.700 -10.142  -8.756
  397   2HH1  ARG  49          2HH1      ARG  49  -4.770 -11.468  -8.431
  398   1HH2  ARG  49          1HH2      ARG  49  -7.710  -9.583  -8.861
  399   2HH2  ARG  49          2HH2      ARG  49  -7.051 -11.150  -8.467
  400    H    GLN  50           H        GLN  50  -4.538  -8.292  -4.924
  401    HA   GLN  50           HA       GLN  50  -4.476  -6.399  -2.678
  402   1HB   GLN  50          1HB       GLN  50  -4.844  -9.373  -2.894
  403   2HB   GLN  50          2HB       GLN  50  -4.292  -8.665  -1.382
  404   1HG   GLN  50          1HG       GLN  50  -6.338  -7.207  -1.442
  405   2HG   GLN  50          2HG       GLN  50  -6.901  -8.190  -2.795
  406   1HE2  GLN  50          1HE2      GLN  50  -5.009  -9.654  -0.304
  407   2HE2  GLN  50          2HE2      GLN  50  -6.298 -10.530   0.443
  408    H    GLY  51           H        GLY  51  -2.612  -5.875  -1.726
  409   1HA   GLY  51          1HA       GLY  51  -0.471  -7.552  -1.409
  410   2HA   GLY  51          2HA       GLY  51  -0.086  -6.674  -2.807
  411    H    PHE  52           H        PHE  52   1.714  -6.123  -1.323
  412    HA   PHE  52           HA       PHE  52   1.015  -4.224   0.775
  413   1HB   PHE  52          1HB       PHE  52   3.528  -5.739   0.110
  414   2HB   PHE  52          2HB       PHE  52   3.453  -4.494   1.354
  415    HD1  PHE  52           HD1      PHE  52   2.777  -5.016   3.512
  416    HD2  PHE  52           HD2      PHE  52   1.906  -7.712   0.313
  417    HE1  PHE  52           HE1      PHE  52   1.994  -6.696   5.142
  418    HE2  PHE  52           HE2      PHE  52   1.130  -9.389   1.950
  419    HZ   PHE  52           HZ       PHE  52   1.175  -8.883   4.358
  420    H    VAL  53           H        VAL  53   1.791  -2.235   0.946
  421    HA   VAL  53           HA       VAL  53   3.489  -1.123  -1.163
  422    HB   VAL  53           HB       VAL  53   2.150   0.892  -1.325
  423   1HG1  VAL  53          1HG1      VAL  53   0.187   0.043  -2.474
  424   2HG1  VAL  53          2HG1      VAL  53   0.412  -1.530  -1.705
  425   3HG1  VAL  53          3HG1      VAL  53   1.610  -0.929  -2.855
  426   1HG2  VAL  53          1HG2      VAL  53  -0.148   0.932  -0.278
  427   2HG2  VAL  53          2HG2      VAL  53   1.213   1.117   0.832
  428   3HG2  VAL  53          3HG2      VAL  53   0.378  -0.433   0.713
  429    HA   PRO  54           HA       PRO  54   5.637   0.758   2.207
  430   1HB   PRO  54          1HB       PRO  54   5.536   3.328   0.735
  431   2HB   PRO  54          2HB       PRO  54   6.942   2.427   1.305
  432   1HG   PRO  54          1HG       PRO  54   6.331   2.496  -1.279
  433   2HG   PRO  54          2HG       PRO  54   6.917   0.995  -0.534
  434   1HD   PRO  54          1HD       PRO  54   4.122   1.791  -1.264
  435   2HD   PRO  54          2HD       PRO  54   4.937   0.224  -1.460
  436    H    ALA  55           H        ALA  55   4.754   1.365   4.099
  437    HA   ALA  55           HA       ALA  55   2.235   2.620   4.361
  438   1HB   ALA  55          1HB       ALA  55   2.879   2.906   6.735
  439   2HB   ALA  55          2HB       ALA  55   4.506   2.361   6.328
  440   3HB   ALA  55          3HB       ALA  55   3.133   1.266   6.139
  441    H    ALA  56           H        ALA  56   5.473   3.826   4.031
  442    HA   ALA  56           HA       ALA  56   4.984   6.497   4.912
  443   1HB   ALA  56          1HB       ALA  56   7.188   6.980   4.140
  444   2HB   ALA  56          2HB       ALA  56   7.201   5.553   3.102
  445   3HB   ALA  56          3HB       ALA  56   7.226   5.368   4.856
  446    H    TYR  57           H        TYR  57   4.012   4.820   2.209
  447    HA   TYR  57           HA       TYR  57   3.976   7.221   0.485
  448   1HB   TYR  57          1HB       TYR  57   3.753   4.275  -0.101
  449   2HB   TYR  57          2HB       TYR  57   3.158   5.471  -1.251
  450    HD1  TYR  57           HD1      TYR  57   4.557   5.595  -3.036
  451    HD2  TYR  57           HD2      TYR  57   6.263   5.274   0.845
  452    HE1  TYR  57           HE1      TYR  57   6.801   5.775  -4.016
  453    HE2  TYR  57           HE2      TYR  57   8.507   5.462  -0.110
  454    HH   TYR  57           HH       TYR  57   9.695   5.335  -2.030
  455    H    VAL  58           H        VAL  58   2.121   5.794   2.721
  456    HA   VAL  58           HA       VAL  58  -0.357   6.585   1.383
  457    HB   VAL  58           HB       VAL  58   0.437   3.942   2.014
  458   1HG1  VAL  58          1HG1      VAL  58  -1.819   4.929   3.724
  459   2HG1  VAL  58          2HG1      VAL  58  -0.352   4.088   4.226
  460   3HG1  VAL  58          3HG1      VAL  58  -1.589   3.231   3.306
  461   1HG2  VAL  58          1HG2      VAL  58  -1.599   3.331   0.898
  462   2HG2  VAL  58          2HG2      VAL  58  -0.841   4.688   0.066
  463   3HG2  VAL  58          3HG2      VAL  58  -2.239   4.963   1.106
  464    H    LYS  59           H        LYS  59  -1.999   7.357   2.773
  465    HA   LYS  59           HA       LYS  59  -1.245   7.717   5.589
  466   1HB   LYS  59          1HB       LYS  59  -0.765   9.901   5.106
  467   2HB   LYS  59          2HB       LYS  59  -1.525   9.792   3.527
  468   1HG   LYS  59          1HG       LYS  59  -3.497   9.827   5.641
  469   2HG   LYS  59          2HG       LYS  59  -2.427  11.228   5.714
  470   1HD   LYS  59          1HD       LYS  59  -3.064  11.992   3.627
  471   2HD   LYS  59          2HD       LYS  59  -3.581  10.393   3.088
  472   1HE   LYS  59          1HE       LYS  59  -5.488  11.890   3.455
  473   2HE   LYS  59          2HE       LYS  59  -5.523  10.505   4.543
  474   1HZ   LYS  59          1HZ       LYS  59  -6.065  12.546   5.712
  475   2HZ   LYS  59          2HZ       LYS  59  -4.587  13.239   5.249
  476   3HZ   LYS  59          3HZ       LYS  59  -4.605  11.908   6.296
  477    H    LYS  60           H        LYS  60  -2.898   7.654   7.027
  478    HA   LYS  60           HA       LYS  60  -5.316   6.386   6.343
  479   1HB   LYS  60          1HB       LYS  60  -4.185   7.501   8.802
  480   2HB   LYS  60          2HB       LYS  60  -5.891   7.845   8.676
  481   1HG   LYS  60          1HG       LYS  60  -5.529   5.866   9.980
  482   2HG   LYS  60          2HG       LYS  60  -6.358   5.439   8.488
  483   1HD   LYS  60          1HD       LYS  60  -4.550   4.335   7.654
  484   2HD   LYS  60          2HD       LYS  60  -3.394   5.304   8.550
  485   1HE   LYS  60          1HE       LYS  60  -3.460   3.034   9.428
  486   2HE   LYS  60          2HE       LYS  60  -4.102   4.153  10.615
  487   1HZ   LYS  60          1HZ       LYS  60  -5.349   1.941  10.017
  488   2HZ   LYS  60          2HZ       LYS  60  -6.013   2.913   8.790
  489   3HZ   LYS  60          3HZ       LYS  60  -6.190   3.356  10.416
  490    H    LEU  61           H        LEU  61  -7.089   7.129   5.426
  491    HA   LEU  61           HA       LEU  61  -7.323   9.923   4.804
  492   1HB   LEU  61          1HB       LEU  61  -8.971   7.498   4.224
  493   2HB   LEU  61          2HB       LEU  61  -9.626   9.095   3.923
  494    HG   LEU  61           HG       LEU  61  -7.017   8.175   2.736
  495   1HD1  LEU  61          1HD1      LEU  61  -8.249   7.659   0.714
  496   2HD1  LEU  61          2HD1      LEU  61  -9.768   8.047   1.523
  497   3HD1  LEU  61          3HD1      LEU  61  -8.814   6.662   2.054
  498   1HD2  LEU  61          1HD2      LEU  61  -7.050  10.450   2.456
  499   2HD2  LEU  61          2HD2      LEU  61  -8.811  10.531   2.444
  500   3HD2  LEU  61          3HD2      LEU  61  -7.947   9.951   1.022
  501    H    ASP  62           H        ASP  62  -8.478   7.865   7.273
  502    HA   ASP  62           HA       ASP  62  -9.845  10.110   8.523
  503   1HB   ASP  62          1HB       ASP  62 -11.637   8.911   7.322
  504   2HB   ASP  62          2HB       ASP  62 -11.184   7.419   8.140
  505   1H    ACE   0          1H        ACE   0   4.472 -11.372   1.656
  506   2H    ACE   0          2H        ACE   0   3.053 -11.094   2.662
  507   3H    ACE   0          3H        ACE   0   4.442 -11.927   3.358
  508    H    ALA   1           H        ALA   1   4.483 -10.358   5.022
  509    HA   ALA   1           HA       ALA   1   5.001  -7.603   4.341
  510   1HB   ALA   1          1HB       ALA   1   5.220  -7.287   6.768
  511   2HB   ALA   1          2HB       ALA   1   5.102  -9.032   6.996
  512   3HB   ALA   1          3HB       ALA   1   3.732  -8.134   6.345
  513    HA   PRO   2           HA       PRO   2   9.376  -8.440   3.822
  514   1HB   PRO   2          1HB       PRO   2   9.518  -5.540   3.365
  515   2HB   PRO   2          2HB       PRO   2   9.931  -6.867   2.275
  516   1HG   PRO   2          1HG       PRO   2   7.769  -5.327   1.874
  517   2HG   PRO   2          2HG       PRO   2   7.768  -7.057   1.481
  518   1HD   PRO   2          1HD       PRO   2   6.632  -5.659   3.879
  519   2HD   PRO   2          2HD       PRO   2   5.925  -6.962   2.898
  520    H    SER   3           H        SER   3  11.183  -8.129   5.047
  521    HA   SER   3           HA       SER   3  10.797  -6.698   7.577
  522   1HB   SER   3          1HB       SER   3  13.073  -8.574   6.981
  523   2HB   SER   3          2HB       SER   3  12.326  -8.193   8.534
  524    HG   SER   3           HG       SER   3  11.703 -10.145   6.779
  525    H    TYR   4           H        TYR   4  11.220  -4.908   5.656
  526    HA   TYR   4           HA       TYR   4  13.700  -3.715   6.411
  527   1HB   TYR   4          1HB       TYR   4  14.596  -3.482   4.093
  528   2HB   TYR   4          2HB       TYR   4  14.617  -5.139   4.683
  529    HD1  TYR   4           HD1      TYR   4  12.732  -2.790   2.504
  530    HD2  TYR   4           HD2      TYR   4  13.555  -6.850   3.465
  531    HE1  TYR   4           HE1      TYR   4  11.529  -3.503   0.485
  532    HE2  TYR   4           HE2      TYR   4  12.351  -7.574   1.447
  533    HH   TYR   4           HH       TYR   4  10.735  -6.819  -0.108
  534    H    SER   5           H        SER   5  13.947  -1.543   5.422
  535    HA   SER   5           HA       SER   5  11.391  -0.231   5.358
  536   1HB   SER   5          1HB       SER   5  14.000   1.130   4.755
  537   2HB   SER   5          2HB       SER   5  12.588   1.756   5.608
  538    HG   SER   5           HG       SER   5  13.180   0.731   7.414
  539    HA   PRO   6           HA       PRO   6  10.852  -0.257   0.950
  540   1HB   PRO   6          1HB       PRO   6   9.045   1.767   0.762
  541   2HB   PRO   6          2HB       PRO   6   8.627   0.163   1.373
  542   1HG   PRO   6          1HG       PRO   6   9.272   2.663   2.894
  543   2HG   PRO   6          2HG       PRO   6   7.976   1.483   3.177
  544   1HD   PRO   6          1HD       PRO   6  10.256   1.479   4.616
  545   2HD   PRO   6          2HD       PRO   6   9.394  -0.017   4.209
  546    HA   PRO   7           HA       PRO   7  13.389   2.773  -1.026
  547   1HB   PRO   7          1HB       PRO   7  11.750   3.657  -3.087
  548   2HB   PRO   7          2HB       PRO   7  12.762   2.209  -3.138
  549   1HG   PRO   7          1HG       PRO   7   9.841   2.467  -2.555
  550   2HG   PRO   7          2HG       PRO   7  10.699   1.221  -3.481
  551   1HD   PRO   7          1HD       PRO   7   9.857   0.759  -0.986
  552   2HD   PRO   7          2HD       PRO   7  11.400   0.103  -1.574
  553    HA   PRO   8           HA       PRO   8  12.516   6.662   0.885
  554   1HB   PRO   8          1HB       PRO   8  13.977   8.205  -0.925
  555   2HB   PRO   8          2HB       PRO   8  14.614   7.435   0.529
  556   1HG   PRO   8          1HG       PRO   8  14.706   6.504  -2.304
  557   2HG   PRO   8          2HG       PRO   8  15.936   6.364  -1.033
  558   1HD   PRO   8          1HD       PRO   8  14.450   4.266  -1.740
  559   2HD   PRO   8          2HD       PRO   8  14.872   4.551  -0.037
  560    HA   PRO   9           HA       PRO   9   8.944   7.959  -1.474
  561   1HB   PRO   9          1HB       PRO   9   8.999  10.149   0.532
  562   2HB   PRO   9          2HB       PRO   9   7.685   9.048   0.102
  563   1HG   PRO   9          1HG       PRO   9   9.012   8.744   2.390
  564   2HG   PRO   9          2HG       PRO   9   8.508   7.335   1.436
  565   1HD   PRO   9          1HD       PRO   9  11.211   8.594   1.669
  566   2HD   PRO   9          2HD       PRO   9  10.770   6.875   1.596
  567    HA   PRO  10           HA       PRO  10  10.964  11.038  -4.015
  568   1HB   PRO  10          1HB       PRO  10   8.914  11.339  -5.787
  569   2HB   PRO  10          2HB       PRO  10  10.049   9.985  -5.832
  570   1HG   PRO  10          1HG       PRO  10   7.277  10.099  -4.713
  571   2HG   PRO  10          2HG       PRO  10   8.056   8.813  -5.652
  572   1HD   PRO  10          1HD       PRO  10   7.778   8.693  -2.962
  573   2HD   PRO  10          2HD       PRO  10   9.147   7.960  -3.819
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1 -20.668  -7.994  -1.934
    2   2H    MET   1          2H        MET   1 -20.905  -6.327  -1.724
    3   3H    MET   1          3H        MET   1 -19.492  -7.063  -1.143
    4    HA   MET   1           HA       MET   1 -18.783  -7.572  -3.363
    5   1HB   MET   1          1HB       MET   1 -21.350  -6.171  -4.124
    6   2HB   MET   1          2HB       MET   1 -20.049  -6.505  -5.260
    7   1HG   MET   1          1HG       MET   1 -21.868  -8.431  -3.862
    8   2HG   MET   1          2HG       MET   1 -21.587  -8.221  -5.589
    9   1HE   MET   1          1HE       MET   1 -21.238 -10.794  -6.066
   10   2HE   MET   1          2HE       MET   1 -21.703 -11.056  -4.386
   11   3HE   MET   1          3HE       MET   1 -20.261 -11.838  -5.033
   12    H    ASP   2           H        ASP   2 -18.072  -5.860  -1.372
   13    HA   ASP   2           HA       ASP   2 -17.318  -3.476  -2.904
   14   1HB   ASP   2          1HB       ASP   2 -18.344  -3.295  -0.046
   15   2HB   ASP   2          2HB       ASP   2 -17.635  -1.983  -0.971
   16    H    GLU   3           H        GLU   3 -15.404  -4.710  -3.128
   17    HA   GLU   3           HA       GLU   3 -13.816  -5.465  -0.859
   18   1HB   GLU   3          1HB       GLU   3 -12.767  -4.794  -3.686
   19   2HB   GLU   3          2HB       GLU   3 -11.726  -5.329  -2.381
   20   1HG   GLU   3          1HG       GLU   3 -13.082  -6.933  -4.207
   21   2HG   GLU   3          2HG       GLU   3 -12.180  -7.439  -2.786
   22    H    THR   4           H        THR   4 -14.509  -2.357  -1.968
   23    HA   THR   4           HA       THR   4 -12.189  -1.280  -0.556
   24    HB   THR   4           HB       THR   4 -12.672  -0.478  -2.972
   25    HG1  THR   4           HG1      THR   4 -11.414   0.568  -1.079
   26   1HG2  THR   4          1HG2      THR   4 -14.156   1.725  -2.678
   27   2HG2  THR   4          2HG2      THR   4 -14.982   0.698  -1.508
   28   3HG2  THR   4          3HG2      THR   4 -14.854   0.190  -3.194
   29    H    GLY   5           H        GLY   5 -14.740  -2.405   0.481
   30   1HA   GLY   5          1HA       GLY   5 -15.881  -0.086   1.877
   31   2HA   GLY   5          2HA       GLY   5 -16.558  -1.713   1.854
   32    H    LYS   6           H        LYS   6 -13.412  -0.317   2.698
   33    HA   LYS   6           HA       LYS   6 -13.610  -1.367   5.388
   34   1HB   LYS   6          1HB       LYS   6 -11.164  -1.871   3.641
   35   2HB   LYS   6          2HB       LYS   6 -11.454  -2.407   5.262
   36   1HG   LYS   6          1HG       LYS   6 -12.906  -4.102   4.612
   37   2HG   LYS   6          2HG       LYS   6 -13.219  -3.368   3.051
   38   1HD   LYS   6          1HD       LYS   6 -10.699  -3.753   2.630
   39   2HD   LYS   6          2HD       LYS   6 -10.822  -4.893   3.968
   40   1HE   LYS   6          1HE       LYS   6 -12.580  -6.102   2.788
   41   2HE   LYS   6          2HE       LYS   6 -12.502  -4.944   1.464
   42   1HZ   LYS   6          1HZ       LYS   6 -10.172  -6.576   2.300
   43   2HZ   LYS   6          2HZ       LYS   6 -10.361  -5.687   0.863
   44   3HZ   LYS   6          3HZ       LYS   6 -11.274  -7.091   1.120
   45    H    GLU   7           H        GLU   7 -11.015  -0.718   6.154
   46    HA   GLU   7           HA       GLU   7 -11.153   2.083   6.475
   47   1HB   GLU   7          1HB       GLU   7  -9.933   0.264   7.888
   48   2HB   GLU   7          2HB       GLU   7  -8.610   0.496   6.755
   49   1HG   GLU   7          1HG       GLU   7  -8.306   2.739   7.419
   50   2HG   GLU   7          2HG       GLU   7  -9.832   2.754   8.304
   51    H    LEU   8           H        LEU   8 -10.639   3.642   5.005
   52    HA   LEU   8           HA       LEU   8  -9.074   2.808   2.686
   53   1HB   LEU   8          1HB       LEU   8 -10.797   5.216   3.179
   54   2HB   LEU   8          2HB       LEU   8  -9.848   4.984   1.721
   55    HG   LEU   8           HG       LEU   8 -11.974   3.082   2.675
   56   1HD1  LEU   8          1HD1      LEU   8 -13.369   3.971   0.864
   57   2HD1  LEU   8          2HD1      LEU   8 -12.141   5.184   0.514
   58   3HD1  LEU   8          3HD1      LEU   8 -12.997   5.215   2.056
   59   1HD2  LEU   8          1HD2      LEU   8 -11.804   2.176   0.384
   60   2HD2  LEU   8          2HD2      LEU   8 -10.323   1.975   1.318
   61   3HD2  LEU   8          3HD2      LEU   8 -10.432   3.244   0.095
   62    H    VAL   9           H        VAL   9  -7.468   3.996   1.797
   63    HA   VAL   9           HA       VAL   9  -6.098   5.982   3.467
   64    HB   VAL   9           HB       VAL   9  -3.919   4.917   2.545
   65   1HG1  VAL   9          1HG1      VAL   9  -4.311   5.068   4.862
   66   2HG1  VAL   9          2HG1      VAL   9  -3.785   3.419   4.519
   67   3HG1  VAL   9          3HG1      VAL   9  -5.492   3.757   4.815
   68   1HG2  VAL   9          1HG2      VAL   9  -4.814   3.272   1.092
   69   2HG2  VAL   9          2HG2      VAL   9  -5.822   2.599   2.372
   70   3HG2  VAL   9          3HG2      VAL   9  -4.068   2.425   2.448
   71    H    LEU  10           H        LEU  10  -4.518   7.227   2.255
   72    HA   LEU  10           HA       LEU  10  -5.286   7.501  -0.581
   73   1HB   LEU  10          1HB       LEU  10  -5.958   9.436   0.696
   74   2HB   LEU  10          2HB       LEU  10  -4.368   9.566   1.421
   75    HG   LEU  10           HG       LEU  10  -3.639   9.833  -1.123
   76   1HD1  LEU  10          1HD1      LEU  10  -5.382  11.329  -2.201
   77   2HD1  LEU  10          2HD1      LEU  10  -6.526  10.652  -1.041
   78   3HD1  LEU  10          3HD1      LEU  10  -5.712   9.597  -2.197
   79   1HD2  LEU  10          1HD2      LEU  10  -4.805  12.001   0.609
   80   2HD2  LEU  10          2HD2      LEU  10  -3.765  12.268  -0.789
   81   3HD2  LEU  10          3HD2      LEU  10  -3.141  11.413   0.623
   82    H    ALA  11           H        ALA  11  -3.691   7.431  -2.094
   83    HA   ALA  11           HA       ALA  11  -1.044   6.708  -1.189
   84   1HB   ALA  11          1HB       ALA  11  -1.530   7.175  -4.075
   85   2HB   ALA  11          2HB       ALA  11  -2.476   5.896  -3.307
   86   3HB   ALA  11          3HB       ALA  11  -0.714   5.838  -3.258
   87    H    LEU  12           H        LEU  12   0.438   8.188  -0.743
   88    HA   LEU  12           HA       LEU  12   0.197  10.905  -1.581
   89   1HB   LEU  12          1HB       LEU  12   2.171   9.363   0.065
   90   2HB   LEU  12          2HB       LEU  12   2.490  11.029  -0.411
   91    HG   LEU  12           HG       LEU  12   0.290  11.634   0.656
   92   1HD1  LEU  12          1HD1      LEU  12  -0.766   9.503   0.713
   93   2HD1  LEU  12          2HD1      LEU  12  -0.569  10.098   2.363
   94   3HD1  LEU  12          3HD1      LEU  12   0.511   8.848   1.741
   95   1HD2  LEU  12          1HD2      LEU  12   2.400  12.131   1.760
   96   2HD2  LEU  12          2HD2      LEU  12   2.470  10.490   2.402
   97   3HD2  LEU  12          3HD2      LEU  12   1.214  11.598   2.953
   98    H    TYR  13           H        TYR  13   2.124   8.144  -2.609
   99    HA   TYR  13           HA       TYR  13   3.226   9.814  -4.749
  100   1HB   TYR  13          1HB       TYR  13   5.045   7.824  -3.435
  101   2HB   TYR  13          2HB       TYR  13   5.459   9.245  -4.384
  102    HD1  TYR  13           HD1      TYR  13   5.216  11.517  -3.340
  103    HD2  TYR  13           HD2      TYR  13   4.881   7.928  -1.082
  104    HE1  TYR  13           HE1      TYR  13   5.581  12.793  -1.270
  105    HE2  TYR  13           HE2      TYR  13   5.245   9.194   0.993
  106    HH   TYR  13           HH       TYR  13   5.162  12.621   1.103
  107    H    ASP  14           H        ASP  14   4.314   8.469  -6.432
  108    HA   ASP  14           HA       ASP  14   2.615   6.294  -7.211
  109   1HB   ASP  14          1HB       ASP  14   3.355   7.872  -8.923
  110   2HB   ASP  14          2HB       ASP  14   5.040   7.582  -8.506
  111    H    TYR  15           H        TYR  15   3.081   4.193  -7.141
  112    HA   TYR  15           HA       TYR  15   5.802   3.364  -6.470
  113   1HB   TYR  15          1HB       TYR  15   4.566   3.525  -4.344
  114   2HB   TYR  15          2HB       TYR  15   3.356   2.409  -4.971
  115    HD1  TYR  15           HD1      TYR  15   3.562   0.168  -4.417
  116    HD2  TYR  15           HD2      TYR  15   7.050   2.604  -4.460
  117    HE1  TYR  15           HE1      TYR  15   4.896  -1.731  -3.603
  118    HE2  TYR  15           HE2      TYR  15   8.386   0.718  -3.655
  119    HH   TYR  15           HH       TYR  15   7.212  -2.488  -3.556
  120    H    GLN  16           H        GLN  16   6.375   1.295  -7.100
  121    HA   GLN  16           HA       GLN  16   4.465  -0.128  -8.854
  122   1HB   GLN  16          1HB       GLN  16   7.093   0.975  -9.366
  123   2HB   GLN  16          2HB       GLN  16   7.165  -0.766  -9.509
  124   1HG   GLN  16          1HG       GLN  16   5.518   1.171 -11.118
  125   2HG   GLN  16          2HG       GLN  16   6.784   0.084 -11.665
  126   1HE2  GLN  16          1HE2      GLN  16   6.069  -2.291 -10.510
  127   2HE2  GLN  16          2HE2      GLN  16   4.550  -2.816 -11.162
  128    H    GLU  17           H        GLU  17   4.242  -2.268  -8.446
  129    HA   GLU  17           HA       GLU  17   5.140  -3.363  -6.007
  130   1HB   GLU  17          1HB       GLU  17   4.203  -5.484  -6.862
  131   2HB   GLU  17          2HB       GLU  17   3.102  -4.130  -7.079
  132   1HG   GLU  17          1HG       GLU  17   4.079  -3.976  -9.444
  133   2HG   GLU  17          2HG       GLU  17   4.703  -5.596  -9.136
  134    H    LYS  18           H        LYS  18   6.891  -4.597  -5.453
  135    HA   LYS  18           HA       LYS  18   8.815  -5.120  -7.634
  136   1HB   LYS  18          1HB       LYS  18   9.387  -5.075  -4.670
  137   2HB   LYS  18          2HB       LYS  18  10.563  -5.167  -5.975
  138   1HG   LYS  18          1HG       LYS  18   9.975  -2.895  -6.684
  139   2HG   LYS  18          2HG       LYS  18   8.757  -2.805  -5.411
  140   1HD   LYS  18          1HD       LYS  18  11.658  -3.347  -4.798
  141   2HD   LYS  18          2HD       LYS  18  11.029  -1.709  -4.963
  142   1HE   LYS  18          1HE       LYS  18  11.071  -2.353  -2.623
  143   2HE   LYS  18          2HE       LYS  18   9.404  -2.165  -3.164
  144   1HZ   LYS  18          1HZ       LYS  18  10.057  -4.204  -1.751
  145   2HZ   LYS  18          2HZ       LYS  18  10.666  -4.830  -3.199
  146   3HZ   LYS  18          3HZ       LYS  18   9.023  -4.418  -3.076
  147    H    SER  19           H        SER  19   7.140  -6.646  -4.919
  148    HA   SER  19           HA       SER  19   8.237  -9.235  -5.794
  149   1HB   SER  19          1HB       SER  19   7.860 -10.026  -3.509
  150   2HB   SER  19          2HB       SER  19   8.854  -8.564  -3.480
  151    HG   SER  19           HG       SER  19   7.263  -7.462  -2.576
  152    HA   PRO  20           HA       PRO  20   4.177 -10.759  -6.730
  153   1HB   PRO  20          1HB       PRO  20   4.572 -13.031  -4.860
  154   2HB   PRO  20          2HB       PRO  20   4.260 -13.055  -6.603
  155   1HG   PRO  20          1HG       PRO  20   6.666 -13.651  -5.691
  156   2HG   PRO  20          2HG       PRO  20   6.500 -12.603  -7.117
  157   1HD   PRO  20          1HD       PRO  20   6.972 -11.825  -4.255
  158   2HD   PRO  20          2HD       PRO  20   7.848 -11.288  -5.710
  159    H    ALA  21           H        ALA  21   5.024  -9.959  -3.559
  160    HA   ALA  21           HA       ALA  21   2.249 -10.203  -2.621
  161   1HB   ALA  21          1HB       ALA  21   3.699 -11.404  -1.156
  162   2HB   ALA  21          2HB       ALA  21   3.228  -9.915  -0.332
  163   3HB   ALA  21          3HB       ALA  21   4.826 -10.049  -1.071
  164    H    GLU  22           H        GLU  22   3.587  -8.169  -4.330
  165    HA   GLU  22           HA       GLU  22   3.024  -5.808  -2.664
  166   1HB   GLU  22          1HB       GLU  22   5.345  -6.422  -4.352
  167   2HB   GLU  22          2HB       GLU  22   4.620  -4.858  -4.689
  168   1HG   GLU  22          1HG       GLU  22   5.116  -4.027  -2.633
  169   2HG   GLU  22          2HG       GLU  22   5.183  -5.615  -1.867
  170    H    VAL  23           H        VAL  23   2.013  -4.048  -3.724
  171    HA   VAL  23           HA       VAL  23   0.870  -4.700  -6.345
  172    HB   VAL  23           HB       VAL  23  -1.213  -3.416  -5.551
  173   1HG1  VAL  23          1HG1      VAL  23  -2.193  -5.483  -4.580
  174   2HG1  VAL  23          2HG1      VAL  23  -0.574  -6.185  -4.596
  175   3HG1  VAL  23          3HG1      VAL  23  -1.350  -5.714  -6.111
  176   1HG2  VAL  23          1HG2      VAL  23   0.268  -3.662  -3.045
  177   2HG2  VAL  23          2HG2      VAL  23  -1.409  -4.193  -2.953
  178   3HG2  VAL  23          3HG2      VAL  23  -1.032  -2.560  -3.495
  179    H    THR  24           H        THR  24   0.310  -2.935  -7.640
  180    HA   THR  24           HA       THR  24   2.100  -0.687  -7.242
  181    HB   THR  24           HB       THR  24   0.397  -1.525  -9.588
  182    HG1  THR  24           HG1      THR  24   2.027  -2.930  -9.548
  183   1HG2  THR  24          1HG2      THR  24   0.706   0.855  -9.718
  184   2HG2  THR  24          2HG2      THR  24   1.773   0.080 -10.888
  185   3HG2  THR  24          3HG2      THR  24   2.425   0.688  -9.366
  186    H    MET  25           H        MET  25   1.484   1.447  -7.122
  187    HA   MET  25           HA       MET  25  -1.362   2.112  -7.104
  188   1HB   MET  25          1HB       MET  25  -1.226   3.284  -4.974
  189   2HB   MET  25          2HB       MET  25  -0.771   1.592  -4.748
  190   1HG   MET  25          1HG       MET  25   1.483   2.114  -4.465
  191   2HG   MET  25          2HG       MET  25   1.294   3.717  -5.190
  192   1HE   MET  25          1HE       MET  25  -1.441   2.493  -2.804
  193   2HE   MET  25          2HE       MET  25  -0.831   2.890  -1.198
  194   3HE   MET  25          3HE       MET  25  -0.106   1.566  -2.114
  195    H    LYS  26           H        LYS  26  -1.640   4.544  -6.955
  196    HA   LYS  26           HA       LYS  26   0.660   6.002  -8.040
  197   1HB   LYS  26          1HB       LYS  26  -1.984   5.615  -9.401
  198   2HB   LYS  26          2HB       LYS  26  -1.182   7.170  -9.550
  199   1HG   LYS  26          1HG       LYS  26  -0.393   6.091 -11.399
  200   2HG   LYS  26          2HG       LYS  26   0.879   5.725 -10.234
  201   1HD   LYS  26          1HD       LYS  26  -0.388   3.580  -9.744
  202   2HD   LYS  26          2HD       LYS  26  -1.351   3.936 -11.179
  203   1HE   LYS  26          1HE       LYS  26   0.399   2.459 -11.834
  204   2HE   LYS  26          2HE       LYS  26   0.779   4.057 -12.476
  205   1HZ   LYS  26          1HZ       LYS  26   1.945   2.868 -10.018
  206   2HZ   LYS  26          2HZ       LYS  26   2.316   4.399 -10.640
  207   3HZ   LYS  26          3HZ       LYS  26   2.727   3.003 -11.515
  208    H    LYS  27           H        LYS  27   0.554   8.263  -7.776
  209    HA   LYS  27           HA       LYS  27  -0.514   9.105  -5.314
  210   1HB   LYS  27          1HB       LYS  27   1.309  10.387  -5.937
  211   2HB   LYS  27          2HB       LYS  27   0.833  10.450  -7.625
  212   1HG   LYS  27          1HG       LYS  27   0.571  12.632  -6.930
  213   2HG   LYS  27          2HG       LYS  27  -1.067  11.987  -6.806
  214   1HD   LYS  27          1HD       LYS  27  -0.892  11.772  -4.450
  215   2HD   LYS  27          2HD       LYS  27   0.846  12.073  -4.485
  216   1HE   LYS  27          1HE       LYS  27   0.393  14.360  -5.309
  217   2HE   LYS  27          2HE       LYS  27  -1.336  14.046  -5.156
  218   1HZ   LYS  27          1HZ       LYS  27   0.682  14.181  -2.988
  219   2HZ   LYS  27          2HZ       LYS  27  -0.884  13.572  -2.754
  220   3HZ   LYS  27          3HZ       LYS  27  -0.663  15.190  -3.219
  221    H    GLY  28           H        GLY  28  -2.499   9.706  -4.773
  222   1HA   GLY  28          1HA       GLY  28  -4.470  11.077  -5.143
  223   2HA   GLY  28          2HA       GLY  28  -4.239  10.838  -6.876
  224    H    ASP  29           H        ASP  29  -3.664   7.914  -5.567
  225    HA   ASP  29           HA       ASP  29  -6.336   6.986  -6.240
  226   1HB   ASP  29          1HB       ASP  29  -3.766   5.935  -6.655
  227   2HB   ASP  29          2HB       ASP  29  -4.503   4.896  -5.433
  228    H    ILE  30           H        ILE  30  -7.699   6.022  -4.849
  229    HA   ILE  30           HA       ILE  30  -7.007   6.201  -2.020
  230    HB   ILE  30           HB       ILE  30  -9.631   5.969  -3.489
  231   1HG1  ILE  30          1HG1      ILE  30 -10.223   7.959  -2.192
  232   2HG1  ILE  30          2HG1      ILE  30  -8.705   7.875  -1.316
  233   1HG2  ILE  30          1HG2      ILE  30  -9.734   4.329  -1.686
  234   2HG2  ILE  30          2HG2      ILE  30 -10.794   5.701  -1.355
  235   3HG2  ILE  30          3HG2      ILE  30  -9.243   5.566  -0.527
  236   1HD1  ILE  30          1HD1      ILE  30  -9.082   8.488  -4.236
  237   2HD1  ILE  30          2HD1      ILE  30  -7.512   8.275  -3.457
  238   3HD1  ILE  30          3HD1      ILE  30  -8.571   9.598  -2.963
  239    H    LEU  31           H        LEU  31  -6.117   4.474  -1.184
  240    HA   LEU  31           HA       LEU  31  -6.614   1.844  -2.362
  241   1HB   LEU  31          1HB       LEU  31  -4.495   3.058  -0.661
  242   2HB   LEU  31          2HB       LEU  31  -4.751   1.334  -0.532
  243    HG   LEU  31           HG       LEU  31  -2.914   2.103  -2.094
  244   1HD1  LEU  31          1HD1      LEU  31  -3.824  -0.158  -2.155
  245   2HD1  LEU  31          2HD1      LEU  31  -3.368   0.415  -3.758
  246   3HD1  LEU  31          3HD1      LEU  31  -5.066   0.378  -3.291
  247   1HD2  LEU  31          1HD2      LEU  31  -4.165   3.977  -3.100
  248   2HD2  LEU  31          2HD2      LEU  31  -5.221   2.807  -3.896
  249   3HD2  LEU  31          3HD2      LEU  31  -3.503   2.863  -4.297
  250    H    THR  32           H        THR  32  -7.106   0.036  -1.023
  251    HA   THR  32           HA       THR  32  -8.660   0.753   1.352
  252    HB   THR  32           HB       THR  32  -8.637  -1.911  -0.070
  253    HG1  THR  32           HG1      THR  32  -9.552  -0.833  -1.651
  254   1HG2  THR  32          1HG2      THR  32 -10.879  -2.099   0.970
  255   2HG2  THR  32          2HG2      THR  32 -10.592  -0.561   1.790
  256   3HG2  THR  32          3HG2      THR  32  -9.575  -1.959   2.151
  257    H    LEU  33           H        LEU  33  -7.892   0.230   3.332
  258    HA   LEU  33           HA       LEU  33  -5.349  -1.119   3.515
  259   1HB   LEU  33          1HB       LEU  33  -6.978   0.551   5.246
  260   2HB   LEU  33          2HB       LEU  33  -6.298  -0.819   6.102
  261    HG   LEU  33           HG       LEU  33  -4.769   1.295   4.591
  262   1HD1  LEU  33          1HD1      LEU  33  -3.870   1.774   6.850
  263   2HD1  LEU  33          2HD1      LEU  33  -5.037   0.638   7.517
  264   3HD1  LEU  33          3HD1      LEU  33  -5.597   2.088   6.689
  265   1HD2  LEU  33          1HD2      LEU  33  -3.732  -1.104   6.103
  266   2HD2  LEU  33          2HD2      LEU  33  -2.746   0.196   5.430
  267   3HD2  LEU  33          3HD2      LEU  33  -3.655  -0.869   4.356
  268    H    LEU  34           H        LEU  34  -4.948  -3.095   4.142
  269    HA   LEU  34           HA       LEU  34  -7.219  -4.802   4.904
  270   1HB   LEU  34          1HB       LEU  34  -4.659  -5.739   3.633
  271   2HB   LEU  34          2HB       LEU  34  -6.170  -6.606   3.779
  272    HG   LEU  34           HG       LEU  34  -5.681  -4.222   2.004
  273   1HD1  LEU  34          1HD1      LEU  34  -4.767  -6.680   1.546
  274   2HD1  LEU  34          2HD1      LEU  34  -5.381  -5.630   0.264
  275   3HD1  LEU  34          3HD1      LEU  34  -6.417  -6.884   0.948
  276   1HD2  LEU  34          1HD2      LEU  34  -7.958  -4.129   2.647
  277   2HD2  LEU  34          2HD2      LEU  34  -8.144  -5.879   2.518
  278   3HD2  LEU  34          3HD2      LEU  34  -7.934  -4.905   1.062
  279    H    ASN  35           H        ASN  35  -3.793  -4.111   5.405
  280    HA   ASN  35           HA       ASN  35  -3.997  -4.903   8.175
  281   1HB   ASN  35          1HB       ASN  35  -3.429  -7.005   6.788
  282   2HB   ASN  35          2HB       ASN  35  -1.860  -6.250   6.529
  283   1HD2  ASN  35          1HD2      ASN  35  -2.492  -8.718   7.910
  284   2HD2  ASN  35          2HD2      ASN  35  -1.901  -8.536   9.531
  285    H    SER  36           H        SER  36  -2.872  -3.473   9.320
  286    HA   SER  36           HA       SER  36  -0.590  -2.127   8.038
  287   1HB   SER  36          1HB       SER  36  -1.315  -0.160   9.589
  288   2HB   SER  36          2HB       SER  36  -2.206  -0.435   8.088
  289    HG   SER  36           HG       SER  36  -3.315  -1.930   9.993
  290    H    THR  37           H        THR  37  -0.601  -4.484   9.736
  291    HA   THR  37           HA       THR  37   0.172  -3.744  12.373
  292    HB   THR  37           HB       THR  37  -0.745  -5.991  11.608
  293    HG1  THR  37           HG1      THR  37   0.520  -5.324  13.688
  294   1HG2  THR  37          1HG2      THR  37   0.800  -6.498   9.809
  295   2HG2  THR  37          2HG2      THR  37   0.963  -7.706  11.083
  296   3HG2  THR  37          3HG2      THR  37   2.166  -6.427  10.929
  297    H    ASN  38           H        ASN  38   1.755  -3.476   9.453
  298    HA   ASN  38           HA       ASN  38   4.427  -3.637  10.670
  299   1HB   ASN  38          1HB       ASN  38   3.942  -4.958   8.574
  300   2HB   ASN  38          2HB       ASN  38   3.694  -3.437   7.742
  301   1HD2  ASN  38          1HD2      ASN  38   5.716  -5.654   7.423
  302   2HD2  ASN  38          2HD2      ASN  38   7.241  -4.845   7.445
  303    H    LYS  39           H        LYS  39   5.799  -1.780  10.499
  304    HA   LYS  39           HA       LYS  39   4.323   0.690  10.524
  305   1HB   LYS  39          1HB       LYS  39   6.932  -0.378  11.417
  306   2HB   LYS  39          2HB       LYS  39   6.906   1.308  11.012
  307   1HG   LYS  39          1HG       LYS  39   5.231   1.728  12.726
  308   2HG   LYS  39          2HG       LYS  39   5.148  -0.009  13.066
  309   1HD   LYS  39          1HD       LYS  39   7.471   0.004  13.755
  310   2HD   LYS  39          2HD       LYS  39   7.593   1.719  13.360
  311   1HE   LYS  39          1HE       LYS  39   5.721   2.086  15.030
  312   2HE   LYS  39          2HE       LYS  39   5.994   0.421  15.546
  313   1HZ   LYS  39          1HZ       LYS  39   7.263   1.802  16.959
  314   2HZ   LYS  39          2HZ       LYS  39   7.899   2.691  15.660
  315   3HZ   LYS  39          3HZ       LYS  39   8.372   1.078  15.896
  316    H    ASP  40           H        ASP  40   6.632  -0.929   8.489
  317    HA   ASP  40           HA       ASP  40   6.991   1.532   6.925
  318   1HB   ASP  40          1HB       ASP  40   8.580  -1.040   6.870
  319   2HB   ASP  40          2HB       ASP  40   8.915   0.393   5.888
  320    H    TRP  41           H        TRP  41   5.450  -1.526   6.776
  321    HA   TRP  41           HA       TRP  41   4.763  -1.006   3.961
  322   1HB   TRP  41          1HB       TRP  41   5.525  -3.673   5.168
  323   2HB   TRP  41          2HB       TRP  41   4.804  -3.481   3.580
  324    HD1  TRP  41           HD1      TRP  41   8.072  -2.958   5.467
  325    HE1  TRP  41           HE1      TRP  41   9.966  -2.566   3.771
  326    HE3  TRP  41           HE3      TRP  41   5.267  -2.569   1.205
  327    HZ2  TRP  41           HZ2      TRP  41  10.227  -2.149   0.988
  328    HZ3  TRP  41           HZ3      TRP  41   6.417  -2.174  -0.928
  329    HH2  TRP  41           HH2      TRP  41   8.845  -1.968  -1.034
  330    H    TRP  42           H        TRP  42   2.623  -1.100   3.527
  331    HA   TRP  42           HA       TRP  42   0.895  -2.334   5.576
  332   1HB   TRP  42          1HB       TRP  42   0.548   0.235   4.040
  333   2HB   TRP  42          2HB       TRP  42  -0.849  -0.628   4.695
  334    HD1  TRP  42           HD1      TRP  42   1.786  -1.175   7.099
  335    HE1  TRP  42           HE1      TRP  42   1.674   0.475   9.057
  336    HE3  TRP  42           HE3      TRP  42  -1.404   2.226   5.085
  337    HZ2  TRP  42           HZ2      TRP  42   0.397   2.925   9.652
  338    HZ3  TRP  42           HZ3      TRP  42  -2.034   4.211   6.406
  339    HH2  TRP  42           HH2      TRP  42  -1.141   4.541   8.645
  340    H    LYS  43           H        LYS  43  -0.706  -3.661   4.890
  341    HA   LYS  43           HA       LYS  43  -0.576  -4.536   2.120
  342   1HB   LYS  43          1HB       LYS  43  -0.694  -6.122   4.106
  343   2HB   LYS  43          2HB       LYS  43  -2.352  -5.585   4.328
  344   1HG   LYS  43          1HG       LYS  43  -2.898  -6.378   2.058
  345   2HG   LYS  43          2HG       LYS  43  -1.255  -7.002   1.898
  346   1HD   LYS  43          1HD       LYS  43  -1.704  -8.353   3.988
  347   2HD   LYS  43          2HD       LYS  43  -3.392  -7.867   3.844
  348   1HE   LYS  43          1HE       LYS  43  -1.784  -9.507   1.880
  349   2HE   LYS  43          2HE       LYS  43  -3.138 -10.041   2.878
  350   1HZ   LYS  43          1HZ       LYS  43  -3.657  -9.582   0.492
  351   2HZ   LYS  43          2HZ       LYS  43  -3.422  -7.937   0.823
  352   3HZ   LYS  43          3HZ       LYS  43  -4.647  -8.793   1.622
  353    H    VAL  44           H        VAL  44  -1.869  -3.695   0.631
  354    HA   VAL  44           HA       VAL  44  -4.485  -2.665   1.485
  355    HB   VAL  44           HB       VAL  44  -4.225  -0.866  -0.267
  356   1HG1  VAL  44          1HG1      VAL  44  -2.282  -0.784   2.040
  357   2HG1  VAL  44          2HG1      VAL  44  -3.997  -0.376   2.115
  358   3HG1  VAL  44          3HG1      VAL  44  -2.899   0.613   1.153
  359   1HG2  VAL  44          1HG2      VAL  44  -1.942  -0.268  -0.940
  360   2HG2  VAL  44          2HG2      VAL  44  -2.412  -1.859  -1.539
  361   3HG2  VAL  44          3HG2      VAL  44  -1.338  -1.721  -0.147
  362    H    GLU  45           H        GLU  45  -5.862  -2.180  -0.500
  363    HA   GLU  45           HA       GLU  45  -5.593  -4.304  -2.521
  364   1HB   GLU  45          1HB       GLU  45  -7.245  -4.769  -0.652
  365   2HB   GLU  45          2HB       GLU  45  -8.174  -3.399  -1.239
  366   1HG   GLU  45          1HG       GLU  45  -8.679  -4.496  -3.268
  367   2HG   GLU  45          2HG       GLU  45  -7.486  -5.759  -2.964
  368    H    VAL  46           H        VAL  46  -5.660  -3.541  -4.547
  369    HA   VAL  46           HA       VAL  46  -7.053  -0.979  -5.072
  370    HB   VAL  46           HB       VAL  46  -5.264  -1.405  -7.177
  371   1HG1  VAL  46          1HG1      VAL  46  -4.432   0.723  -6.673
  372   2HG1  VAL  46          2HG1      VAL  46  -4.849   0.565  -4.966
  373   3HG1  VAL  46          3HG1      VAL  46  -6.124   0.720  -6.177
  374   1HG2  VAL  46          1HG2      VAL  46  -3.868  -1.752  -4.544
  375   2HG2  VAL  46          2HG2      VAL  46  -3.068  -1.398  -6.076
  376   3HG2  VAL  46          3HG2      VAL  46  -3.954  -2.911  -5.872
  377    H    ASN  47           H        ASN  47  -8.756  -1.343  -6.251
  378    HA   ASN  47           HA       ASN  47 -10.234  -2.034  -7.754
  379   1HB   ASN  47          1HB       ASN  47  -9.507  -2.547  -9.982
  380   2HB   ASN  47          2HB       ASN  47  -8.580  -1.228  -9.345
  381   1HD2  ASN  47          1HD2      ASN  47  -6.362  -1.392  -9.365
  382   2HD2  ASN  47          2HD2      ASN  47  -5.504  -2.800  -9.900
  383    H    ASP  48           H        ASP  48  -7.741  -4.443  -7.693
  384    HA   ASP  48           HA       ASP  48  -9.541  -6.521  -6.798
  385   1HB   ASP  48          1HB       ASP  48 -10.049  -6.446  -9.228
  386   2HB   ASP  48          2HB       ASP  48  -8.346  -6.725  -9.580
  387    H    ARG  49           H        ARG  49  -6.526  -5.180  -7.171
  388    HA   ARG  49           HA       ARG  49  -5.075  -7.689  -6.758
  389   1HB   ARG  49          1HB       ARG  49  -4.041  -4.902  -7.323
  390   2HB   ARG  49          2HB       ARG  49  -3.045  -6.337  -7.145
  391   1HG   ARG  49          1HG       ARG  49  -5.115  -5.925  -9.301
  392   2HG   ARG  49          2HG       ARG  49  -3.380  -5.696  -9.491
  393   1HD   ARG  49          1HD       ARG  49  -3.665  -7.823 -10.319
  394   2HD   ARG  49          2HD       ARG  49  -3.233  -8.149  -8.644
  395    HE   ARG  49           HE       ARG  49  -6.068  -8.036  -9.392
  396   1HH1  ARG  49          1HH1      ARG  49  -3.297  -9.853  -8.265
  397   2HH1  ARG  49          2HH1      ARG  49  -4.229 -11.270  -7.876
  398   1HH2  ARG  49          1HH2      ARG  49  -7.308  -9.886  -8.841
  399   2HH2  ARG  49          2HH2      ARG  49  -6.499 -11.279  -8.180
  400    H    GLN  50           H        GLN  50  -4.380  -8.260  -4.837
  401    HA   GLN  50           HA       GLN  50  -4.403  -6.270  -2.668
  402   1HB   GLN  50          1HB       GLN  50  -4.688  -9.278  -2.655
  403   2HB   GLN  50          2HB       GLN  50  -4.389  -8.348  -1.194
  404   1HG   GLN  50          1HG       GLN  50  -6.478  -7.065  -1.722
  405   2HG   GLN  50          2HG       GLN  50  -6.805  -8.264  -2.973
  406   1HE2  GLN  50          1HE2      GLN  50  -5.530 -10.355  -1.312
  407   2HE2  GLN  50          2HE2      GLN  50  -6.713 -10.777  -0.115
  408    H    GLY  51           H        GLY  51  -2.560  -5.928  -1.497
  409   1HA   GLY  51          1HA       GLY  51  -0.436  -7.588  -1.228
  410   2HA   GLY  51          2HA       GLY  51  -0.034  -6.738  -2.645
  411    H    PHE  52           H        PHE  52   1.798  -6.169  -1.160
  412    HA   PHE  52           HA       PHE  52   1.095  -4.202   0.874
  413   1HB   PHE  52          1HB       PHE  52   3.574  -5.798   0.300
  414   2HB   PHE  52          2HB       PHE  52   3.553  -4.470   1.465
  415    HD1  PHE  52           HD1      PHE  52   3.041  -4.910   3.657
  416    HD2  PHE  52           HD2      PHE  52   1.732  -7.617   0.627
  417    HE1  PHE  52           HE1      PHE  52   2.208  -6.446   5.394
  418    HE2  PHE  52           HE2      PHE  52   0.898  -9.154   2.367
  419    HZ   PHE  52           HZ       PHE  52   1.134  -8.568   4.748
  420    H    VAL  53           H        VAL  53   1.957  -2.222   1.028
  421    HA   VAL  53           HA       VAL  53   3.678  -1.174  -1.093
  422    HB   VAL  53           HB       VAL  53   2.352   0.842  -1.342
  423   1HG1  VAL  53          1HG1      VAL  53   0.387  -0.044  -2.478
  424   2HG1  VAL  53          2HG1      VAL  53   0.632  -1.599  -1.679
  425   3HG1  VAL  53          3HG1      VAL  53   1.826  -1.002  -2.834
  426   1HG2  VAL  53          1HG2      VAL  53   0.468  -0.425   0.646
  427   2HG2  VAL  53          2HG2      VAL  53   0.089   1.002  -0.322
  428   3HG2  VAL  53          3HG2      VAL  53   1.407   1.055   0.850
  429    HA   PRO  54           HA       PRO  54   5.812   0.846   2.221
  430   1HB   PRO  54          1HB       PRO  54   5.556   3.378   0.676
  431   2HB   PRO  54          2HB       PRO  54   7.012   2.603   1.313
  432   1HG   PRO  54          1HG       PRO  54   6.483   2.507  -1.280
  433   2HG   PRO  54          2HG       PRO  54   7.108   1.069  -0.448
  434   1HD   PRO  54          1HD       PRO  54   4.306   1.691  -1.307
  435   2HD   PRO  54          2HD       PRO  54   5.195   0.155  -1.384
  436    H    ALA  55           H        ALA  55   4.950   1.484   4.120
  437    HA   ALA  55           HA       ALA  55   2.352   2.600   4.348
  438   1HB   ALA  55          1HB       ALA  55   3.001   2.961   6.738
  439   2HB   ALA  55          2HB       ALA  55   4.608   2.365   6.322
  440   3HB   ALA  55          3HB       ALA  55   3.202   1.309   6.151
  441    H    ALA  56           H        ALA  56   5.472   3.970   3.898
  442    HA   ALA  56           HA       ALA  56   4.808   6.617   4.809
  443   1HB   ALA  56          1HB       ALA  56   7.129   5.871   3.046
  444   2HB   ALA  56          2HB       ALA  56   7.130   5.585   4.788
  445   3HB   ALA  56          3HB       ALA  56   6.993   7.229   4.167
  446    H    TYR  57           H        TYR  57   3.825   4.868   2.242
  447    HA   TYR  57           HA       TYR  57   3.766   7.169   0.386
  448   1HB   TYR  57          1HB       TYR  57   3.694   4.196  -0.049
  449   2HB   TYR  57          2HB       TYR  57   2.997   5.284  -1.251
  450    HD1  TYR  57           HD1      TYR  57   4.379   5.418  -3.078
  451    HD2  TYR  57           HD2      TYR  57   6.132   5.402   0.802
  452    HE1  TYR  57           HE1      TYR  57   6.597   5.723  -4.084
  453    HE2  TYR  57           HE2      TYR  57   8.345   5.723  -0.194
  454    HH   TYR  57           HH       TYR  57   9.522   5.531  -2.163
  455    H    VAL  58           H        VAL  58   1.946   5.874   2.706
  456    HA   VAL  58           HA       VAL  58  -0.531   6.547   1.314
  457    HB   VAL  58           HB       VAL  58   0.288   3.940   2.085
  458   1HG1  VAL  58          1HG1      VAL  58  -2.051   4.984   3.632
  459   2HG1  VAL  58          2HG1      VAL  58  -0.610   4.164   4.232
  460   3HG1  VAL  58          3HG1      VAL  58  -1.808   3.272   3.291
  461   1HG2  VAL  58          1HG2      VAL  58  -0.896   4.549   0.037
  462   2HG2  VAL  58          2HG2      VAL  58  -2.346   4.880   0.984
  463   3HG2  VAL  58          3HG2      VAL  58  -1.694   3.242   0.911
  464    H    LYS  59           H        LYS  59  -2.196   7.323   2.652
  465    HA   LYS  59           HA       LYS  59  -1.462   7.895   5.448
  466   1HB   LYS  59          1HB       LYS  59  -1.043   9.924   4.227
  467   2HB   LYS  59          2HB       LYS  59  -2.585   9.802   3.391
  468   1HG   LYS  59          1HG       LYS  59  -3.434   9.887   5.948
  469   2HG   LYS  59          2HG       LYS  59  -1.956  10.841   6.071
  470   1HD   LYS  59          1HD       LYS  59  -3.412  12.495   5.498
  471   2HD   LYS  59          2HD       LYS  59  -2.955  11.958   3.879
  472   1HE   LYS  59          1HE       LYS  59  -5.090  11.505   3.447
  473   2HE   LYS  59          2HE       LYS  59  -5.090  10.313   4.746
  474   1HZ   LYS  59          1HZ       LYS  59  -5.536  13.204   5.226
  475   2HZ   LYS  59          2HZ       LYS  59  -5.838  11.916   6.284
  476   3HZ   LYS  59          3HZ       LYS  59  -6.805  12.124   4.908
  477    H    LYS  60           H        LYS  60  -3.015   7.544   6.908
  478    HA   LYS  60           HA       LYS  60  -5.398   6.190   6.356
  479   1HB   LYS  60          1HB       LYS  60  -4.240   7.483   8.736
  480   2HB   LYS  60          2HB       LYS  60  -5.980   7.587   8.686
  481   1HG   LYS  60          1HG       LYS  60  -5.236   5.714  10.014
  482   2HG   LYS  60          2HG       LYS  60  -6.153   5.166   8.621
  483   1HD   LYS  60          1HD       LYS  60  -4.346   4.236   7.638
  484   2HD   LYS  60          2HD       LYS  60  -3.213   5.350   8.373
  485   1HE   LYS  60          1HE       LYS  60  -3.101   2.965   9.245
  486   2HE   LYS  60          2HE       LYS  60  -3.351   4.177  10.471
  487   1HZ   LYS  60          1HZ       LYS  60  -4.779   2.260  10.791
  488   2HZ   LYS  60          2HZ       LYS  60  -5.512   2.527   9.286
  489   3HZ   LYS  60          3HZ       LYS  60  -5.685   3.665  10.528
  490    H    LEU  61           H        LEU  61  -7.193   6.864   5.393
  491    HA   LEU  61           HA       LEU  61  -7.772   9.719   5.221
  492   1HB   LEU  61          1HB       LEU  61  -9.163   7.299   4.084
  493   2HB   LEU  61          2HB       LEU  61  -9.768   8.929   3.890
  494    HG   LEU  61           HG       LEU  61  -7.054   8.053   2.924
  495   1HD1  LEU  61          1HD1      LEU  61  -8.054   7.888   0.715
  496   2HD1  LEU  61          2HD1      LEU  61  -9.643   8.238   1.397
  497   3HD1  LEU  61          3HD1      LEU  61  -8.803   6.751   1.836
  498   1HD2  LEU  61          1HD2      LEU  61  -8.710  10.531   2.649
  499   2HD2  LEU  61          2HD2      LEU  61  -7.575  10.079   1.378
  500   3HD2  LEU  61          3HD2      LEU  61  -6.991  10.365   3.015
  501    H    ASP  62           H        ASP  62  -8.533   7.104   7.169
  502    HA   ASP  62           HA       ASP  62 -10.970   8.341   8.223
  503   1HB   ASP  62          1HB       ASP  62 -11.156   5.979   7.464
  504   2HB   ASP  62          2HB       ASP  62  -9.918   5.529   8.632
  505   1H    ACE   0          1H        ACE   0   4.998 -11.370   1.333
  506   2H    ACE   0          2H        ACE   0   3.565 -11.703   2.301
  507   3H    ACE   0          3H        ACE   0   4.970 -12.752   2.469
  508    H    ALA   1           H        ALA   1   4.002  -9.360   2.761
  509    HA   ALA   1           HA       ALA   1   4.608  -7.693   4.167
  510   1HB   ALA   1          1HB       ALA   1   4.909  -8.270   6.520
  511   2HB   ALA   1          2HB       ALA   1   5.086  -9.969   6.082
  512   3HB   ALA   1          3HB       ALA   1   3.553  -9.143   5.808
  513    HA   PRO   2           HA       PRO   2   9.063  -8.069   3.016
  514   1HB   PRO   2          1HB       PRO   2   8.578  -5.150   2.750
  515   2HB   PRO   2          2HB       PRO   2   9.390  -6.263   1.644
  516   1HG   PRO   2          1HG       PRO   2   6.955  -5.352   1.095
  517   2HG   PRO   2          2HG       PRO   2   7.394  -7.038   0.748
  518   1HD   PRO   2          1HD       PRO   2   5.777  -5.924   3.008
  519   2HD   PRO   2          2HD       PRO   2   5.520  -7.405   2.062
  520    H    SER   3           H        SER   3  10.419  -8.198   4.667
  521    HA   SER   3           HA       SER   3  10.100  -6.369   6.932
  522   1HB   SER   3          1HB       SER   3  11.946  -8.744   6.858
  523   2HB   SER   3          2HB       SER   3  11.194  -7.971   8.257
  524    HG   SER   3           HG       SER   3   9.307  -8.827   6.535
  525    H    TYR   4           H        TYR   4  11.031  -4.753   5.291
  526    HA   TYR   4           HA       TYR   4  13.718  -4.217   6.071
  527   1HB   TYR   4          1HB       TYR   4  14.657  -4.081   3.760
  528   2HB   TYR   4          2HB       TYR   4  14.319  -5.722   4.289
  529    HD1  TYR   4           HD1      TYR   4  13.205  -2.996   2.073
  530    HD2  TYR   4           HD2      TYR   4  12.721  -7.085   3.144
  531    HE1  TYR   4           HE1      TYR   4  11.891  -3.370   0.029
  532    HE2  TYR   4           HE2      TYR   4  11.403  -7.468   1.105
  533    HH   TYR   4           HH       TYR   4  10.448  -6.542  -0.668
  534    H    SER   5           H        SER   5  14.496  -2.154   4.941
  535    HA   SER   5           HA       SER   5  12.524  -0.171   5.322
  536   1HB   SER   5          1HB       SER   5  15.199   0.118   3.936
  537   2HB   SER   5          2HB       SER   5  14.255   1.400   4.697
  538    HG   SER   5           HG       SER   5  14.492  -0.264   6.603
  539    HA   PRO   6           HA       PRO   6  10.766  -0.187   1.236
  540   1HB   PRO   6          1HB       PRO   6   9.083   1.886   1.557
  541   2HB   PRO   6          2HB       PRO   6   8.804   0.327   2.343
  542   1HG   PRO   6          1HG       PRO   6   9.945   2.846   3.477
  543   2HG   PRO   6          2HG       PRO   6   8.797   1.709   4.206
  544   1HD   PRO   6          1HD       PRO   6  11.481   1.747   4.766
  545   2HD   PRO   6          2HD       PRO   6  10.458   0.307   4.923
  546    HA   PRO   7           HA       PRO   7  13.025   2.682  -1.256
  547   1HB   PRO   7          1HB       PRO   7  11.013   3.434  -3.028
  548   2HB   PRO   7          2HB       PRO   7  12.048   2.014  -3.196
  549   1HG   PRO   7          1HG       PRO   7   9.276   2.228  -2.113
  550   2HG   PRO   7          2HG       PRO   7   9.997   0.950  -3.108
  551   1HD   PRO   7          1HD       PRO   7   9.616   0.615  -0.484
  552   2HD   PRO   7          2HD       PRO   7  11.063  -0.031  -1.291
  553    HA   PRO   8           HA       PRO   8  12.316   6.509   0.930
  554   1HB   PRO   8          1HB       PRO   8  13.867   7.933  -0.958
  555   2HB   PRO   8          2HB       PRO   8  14.407   7.279   0.590
  556   1HG   PRO   8          1HG       PRO   8  14.669   6.142  -2.144
  557   2HG   PRO   8          2HG       PRO   8  15.755   5.994  -0.751
  558   1HD   PRO   8          1HD       PRO   8  14.207   3.957  -1.516
  559   2HD   PRO   8          2HD       PRO   8  14.496   4.292   0.207
  560    HA   PRO   9           HA       PRO   9   8.854   8.016  -1.458
  561   1HB   PRO   9          1HB       PRO   9   8.940  10.158   0.594
  562   2HB   PRO   9          2HB       PRO   9   7.609   9.096   0.124
  563   1HG   PRO   9          1HG       PRO   9   8.889   8.729   2.429
  564   2HG   PRO   9          2HG       PRO   9   8.352   7.350   1.448
  565   1HD   PRO   9          1HD       PRO   9  11.095   8.524   1.724
  566   2HD   PRO   9          2HD       PRO   9  10.600   6.819   1.644
  567    HA   PRO  10           HA       PRO  10  11.030  11.190  -3.723
  568   1HB   PRO  10          1HB       PRO  10   8.868  11.249  -5.605
  569   2HB   PRO  10          2HB       PRO  10  10.445  10.482  -5.784
  570   1HG   PRO  10          1HG       PRO  10   8.054   9.124  -5.603
  571   2HG   PRO  10          2HG       PRO  10   9.638   8.429  -5.220
  572   1HD   PRO  10          1HD       PRO  10   7.540   9.502  -3.380
  573   2HD   PRO  10          2HD       PRO  10   8.612   8.097  -3.177
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1 -10.268  -8.802  -1.329
    2   2H    MET   1          2H        MET   1 -10.303  -7.622  -2.548
    3   3H    MET   1          3H        MET   1  -9.990  -9.240  -2.943
    4    HA   MET   1           HA       MET   1 -12.234  -8.671  -3.542
    5   1HB   MET   1          1HB       MET   1 -11.451 -10.886  -2.143
    6   2HB   MET   1          2HB       MET   1 -12.772 -10.300  -1.143
    7   1HG   MET   1          1HG       MET   1 -12.899 -11.020  -4.063
    8   2HG   MET   1          2HG       MET   1 -13.601 -11.912  -2.717
    9   1HE   MET   1          1HE       MET   1 -15.278 -11.094  -5.309
   10   2HE   MET   1          2HE       MET   1 -16.781 -10.585  -4.540
   11   3HE   MET   1          3HE       MET   1 -15.919 -11.999  -3.936
   12    H    ASP   2           H        ASP   2 -11.853  -6.293  -2.464
   13    HA   ASP   2           HA       ASP   2 -14.076  -6.024  -0.541
   14   1HB   ASP   2          1HB       ASP   2 -11.594  -5.708   0.404
   15   2HB   ASP   2          2HB       ASP   2 -11.783  -4.109  -0.314
   16    H    GLU   3           H        GLU   3 -14.473  -3.474  -0.361
   17    HA   GLU   3           HA       GLU   3 -14.227  -2.232  -3.019
   18   1HB   GLU   3          1HB       GLU   3 -16.924  -2.917  -1.751
   19   2HB   GLU   3          2HB       GLU   3 -16.778  -1.604  -2.918
   20   1HG   GLU   3          1HG       GLU   3 -16.058  -3.125  -4.616
   21   2HG   GLU   3          2HG       GLU   3 -15.954  -4.453  -3.459
   22    H    THR   4           H        THR   4 -12.796  -1.336  -1.071
   23    HA   THR   4           HA       THR   4 -12.289   0.341   0.384
   24    HB   THR   4           HB       THR   4 -13.007   2.587  -0.264
   25    HG1  THR   4           HG1      THR   4 -15.084   1.194  -1.420
   26   1HG2  THR   4          1HG2      THR   4 -12.130   2.659  -2.489
   27   2HG2  THR   4          2HG2      THR   4 -12.510   0.962  -2.756
   28   3HG2  THR   4          3HG2      THR   4 -11.255   1.413  -1.603
   29    H    GLY   5           H        GLY   5 -14.391  -1.368   1.330
   30   1HA   GLY   5          1HA       GLY   5 -16.176   0.514   2.735
   31   2HA   GLY   5          2HA       GLY   5 -16.467  -1.208   2.541
   32    H    LYS   6           H        LYS   6 -13.881   0.847   3.824
   33    HA   LYS   6           HA       LYS   6 -14.050   0.290   6.496
   34   1HB   LYS   6          1HB       LYS   6 -12.349  -1.432   6.890
   35   2HB   LYS   6          2HB       LYS   6 -13.711  -2.074   5.987
   36   1HG   LYS   6          1HG       LYS   6 -12.307  -1.678   3.899
   37   2HG   LYS   6          2HG       LYS   6 -10.957  -1.443   5.009
   38   1HD   LYS   6          1HD       LYS   6 -11.395  -3.790   3.985
   39   2HD   LYS   6          2HD       LYS   6 -10.952  -3.643   5.686
   40   1HE   LYS   6          1HE       LYS   6 -12.775  -5.222   5.442
   41   2HE   LYS   6          2HE       LYS   6 -13.332  -3.791   6.304
   42   1HZ   LYS   6          1HZ       LYS   6 -14.876  -4.647   4.558
   43   2HZ   LYS   6          2HZ       LYS   6 -13.734  -4.199   3.389
   44   3HZ   LYS   6          3HZ       LYS   6 -14.448  -3.018   4.379
   45    H    GLU   7           H        GLU   7 -11.230  -0.125   6.943
   46    HA   GLU   7           HA       GLU   7 -10.279   2.440   7.094
   47   1HB   GLU   7          1HB       GLU   7  -9.215  -0.212   7.390
   48   2HB   GLU   7          2HB       GLU   7  -8.027   0.822   6.624
   49   1HG   GLU   7          1HG       GLU   7  -9.208   0.994   9.347
   50   2HG   GLU   7          2HG       GLU   7  -7.525   1.075   8.849
   51    H    LEU   8           H        LEU   8  -9.760   3.903   5.579
   52    HA   LEU   8           HA       LEU   8  -8.777   2.903   2.999
   53   1HB   LEU   8          1HB       LEU   8 -10.481   5.314   3.567
   54   2HB   LEU   8          2HB       LEU   8  -9.757   4.961   2.006
   55    HG   LEU   8           HG       LEU   8 -11.628   3.118   3.438
   56   1HD1  LEU   8          1HD1      LEU   8 -13.321   3.828   1.758
   57   2HD1  LEU   8          2HD1      LEU   8 -12.227   5.118   1.262
   58   3HD1  LEU   8          3HD1      LEU   8 -12.883   5.098   2.900
   59   1HD2  LEU   8          1HD2      LEU   8 -10.263   1.912   1.926
   60   2HD2  LEU   8          2HD2      LEU   8 -10.499   3.112   0.652
   61   3HD2  LEU   8          3HD2      LEU   8 -11.843   2.094   1.170
   62    H    VAL   9           H        VAL   9  -7.243   3.999   1.945
   63    HA   VAL   9           HA       VAL   9  -5.822   6.104   3.429
   64    HB   VAL   9           HB       VAL   9  -3.674   5.055   2.494
   65   1HG1  VAL   9          1HG1      VAL   9  -3.443   3.592   4.442
   66   2HG1  VAL   9          2HG1      VAL   9  -5.179   3.722   4.725
   67   3HG1  VAL   9          3HG1      VAL   9  -4.153   5.155   4.843
   68   1HG2  VAL   9          1HG2      VAL   9  -5.483   2.650   2.390
   69   2HG2  VAL   9          2HG2      VAL   9  -3.726   2.621   2.241
   70   3HG2  VAL   9          3HG2      VAL   9  -4.701   3.435   1.018
   71    H    LEU  10           H        LEU  10  -4.399   7.367   2.155
   72    HA   LEU  10           HA       LEU  10  -5.284   7.559  -0.647
   73   1HB   LEU  10          1HB       LEU  10  -5.795   9.550   0.642
   74   2HB   LEU  10          2HB       LEU  10  -4.142   9.640   1.219
   75    HG   LEU  10           HG       LEU  10  -3.630   9.800  -1.384
   76   1HD1  LEU  10          1HD1      LEU  10  -5.398  11.293  -2.389
   77   2HD1  LEU  10          2HD1      LEU  10  -6.459  10.773  -1.082
   78   3HD1  LEU  10          3HD1      LEU  10  -5.828   9.589  -2.227
   79   1HD2  LEU  10          1HD2      LEU  10  -3.440  12.158  -1.128
   80   2HD2  LEU  10          2HD2      LEU  10  -3.063  11.413   0.427
   81   3HD2  LEU  10          3HD2      LEU  10  -4.635  12.173   0.168
   82    H    ALA  11           H        ALA  11  -3.797   7.370  -2.251
   83    HA   ALA  11           HA       ALA  11  -1.134   6.550  -1.510
   84   1HB   ALA  11          1HB       ALA  11  -2.536   5.601  -3.428
   85   2HB   ALA  11          2HB       ALA  11  -0.841   5.943  -3.767
   86   3HB   ALA  11          3HB       ALA  11  -2.090   7.058  -4.322
   87    H    LEU  12           H        LEU  12   0.232   8.115  -0.880
   88    HA   LEU  12           HA       LEU  12   0.072  10.811  -1.719
   89   1HB   LEU  12          1HB       LEU  12   2.065   9.225  -0.140
   90   2HB   LEU  12          2HB       LEU  12   2.401  10.889  -0.606
   91    HG   LEU  12           HG       LEU  12   0.230  11.525   0.509
   92   1HD1  LEU  12          1HD1      LEU  12   0.460   8.745   1.623
   93   2HD1  LEU  12          2HD1      LEU  12  -0.807   9.349   0.550
   94   3HD1  LEU  12          3HD1      LEU  12  -0.653   9.992   2.186
   95   1HD2  LEU  12          1HD2      LEU  12   2.457  10.337   2.163
   96   2HD2  LEU  12          2HD2      LEU  12   1.211  11.410   2.799
   97   3HD2  LEU  12          3HD2      LEU  12   2.347  11.999   1.582
   98    H    TYR  13           H        TYR  13   2.076   8.101  -2.769
   99    HA   TYR  13           HA       TYR  13   3.025   9.785  -4.971
  100   1HB   TYR  13          1HB       TYR  13   4.995   7.903  -3.745
  101   2HB   TYR  13          2HB       TYR  13   5.277   9.389  -4.640
  102    HD1  TYR  13           HD1      TYR  13   5.034  11.587  -3.487
  103    HD2  TYR  13           HD2      TYR  13   4.800   7.901  -1.373
  104    HE1  TYR  13           HE1      TYR  13   5.397  12.785  -1.369
  105    HE2  TYR  13           HE2      TYR  13   5.162   9.089   0.748
  106    HH   TYR  13           HH       TYR  13   5.130  12.570   0.939
  107    H    ASP  14           H        ASP  14   4.183   8.363  -6.637
  108    HA   ASP  14           HA       ASP  14   2.471   6.128  -7.199
  109   1HB   ASP  14          1HB       ASP  14   3.629   6.012  -9.360
  110   2HB   ASP  14          2HB       ASP  14   3.152   7.673  -9.024
  111    H    TYR  15           H        TYR  15   2.983   4.061  -7.020
  112    HA   TYR  15           HA       TYR  15   5.747   3.326  -6.395
  113   1HB   TYR  15          1HB       TYR  15   4.700   3.468  -4.226
  114   2HB   TYR  15          2HB       TYR  15   3.324   2.515  -4.774
  115    HD1  TYR  15           HD1      TYR  15   3.307   0.232  -4.342
  116    HD2  TYR  15           HD2      TYR  15   7.027   2.290  -4.444
  117    HE1  TYR  15           HE1      TYR  15   4.463  -1.832  -3.668
  118    HE2  TYR  15           HE2      TYR  15   8.190   0.236  -3.776
  119    HH   TYR  15           HH       TYR  15   6.570  -2.839  -3.645
  120    H    GLN  16           H        GLN  16   6.370   1.338  -7.139
  121    HA   GLN  16           HA       GLN  16   4.342  -0.184  -8.642
  122   1HB   GLN  16          1HB       GLN  16   6.019   1.023 -10.082
  123   2HB   GLN  16          2HB       GLN  16   7.279   0.054  -9.330
  124   1HG   GLN  16          1HG       GLN  16   6.905  -1.615 -10.723
  125   2HG   GLN  16          2HG       GLN  16   5.196  -1.653 -10.300
  126   1HE2  GLN  16          1HE2      GLN  16   4.751   1.095 -11.214
  127   2HE2  GLN  16          2HE2      GLN  16   4.754   1.025 -12.941
  128    H    GLU  17           H        GLU  17   4.268  -2.342  -8.276
  129    HA   GLU  17           HA       GLU  17   5.364  -3.369  -5.905
  130   1HB   GLU  17          1HB       GLU  17   4.519  -5.547  -6.703
  131   2HB   GLU  17          2HB       GLU  17   3.320  -4.264  -6.837
  132   1HG   GLU  17          1HG       GLU  17   4.289  -4.084  -9.280
  133   2HG   GLU  17          2HG       GLU  17   4.760  -5.753  -8.963
  134    H    LYS  18           H        LYS  18   7.121  -4.662  -5.462
  135    HA   LYS  18           HA       LYS  18   9.010  -5.005  -7.711
  136   1HB   LYS  18          1HB       LYS  18   9.615  -5.089  -4.748
  137   2HB   LYS  18          2HB       LYS  18  10.787  -5.110  -6.060
  138   1HG   LYS  18          1HG       LYS  18  10.244  -2.827  -6.652
  139   2HG   LYS  18          2HG       LYS  18   8.916  -2.807  -5.491
  140   1HD   LYS  18          1HD       LYS  18  11.747  -3.329  -4.623
  141   2HD   LYS  18          2HD       LYS  18  11.128  -1.690  -4.818
  142   1HE   LYS  18          1HE       LYS  18  10.902  -2.317  -2.507
  143   2HE   LYS  18          2HE       LYS  18   9.293  -2.257  -3.226
  144   1HZ   LYS  18          1HZ       LYS  18   9.866  -4.244  -1.756
  145   2HZ   LYS  18          2HZ       LYS  18  10.799  -4.796  -3.054
  146   3HZ   LYS  18          3HZ       LYS  18   9.129  -4.565  -3.246
  147    H    SER  19           H        SER  19   7.596  -6.623  -4.899
  148    HA   SER  19           HA       SER  19   8.465  -9.202  -6.020
  149   1HB   SER  19          1HB       SER  19   8.548 -10.089  -3.835
  150   2HB   SER  19          2HB       SER  19   9.210  -8.461  -3.645
  151    HG   SER  19           HG       SER  19   7.466  -7.847  -2.551
  152    HA   PRO  20           HA       PRO  20   4.305 -10.556  -6.681
  153   1HB   PRO  20          1HB       PRO  20   4.768 -12.871  -4.873
  154   2HB   PRO  20          2HB       PRO  20   4.272 -12.856  -6.571
  155   1HG   PRO  20          1HG       PRO  20   6.730 -13.562  -5.939
  156   2HG   PRO  20          2HG       PRO  20   6.465 -12.468  -7.315
  157   1HD   PRO  20          1HD       PRO  20   7.267 -11.797  -4.498
  158   2HD   PRO  20          2HD       PRO  20   7.997 -11.240  -6.022
  159    H    ALA  21           H        ALA  21   5.332  -9.820  -3.531
  160    HA   ALA  21           HA       ALA  21   2.639 -10.161  -2.419
  161   1HB   ALA  21          1HB       ALA  21   3.738  -9.682  -0.228
  162   2HB   ALA  21          2HB       ALA  21   5.288  -9.674  -1.075
  163   3HB   ALA  21          3HB       ALA  21   4.317 -11.146  -1.029
  164    H    GLU  22           H        GLU  22   4.007  -7.971  -4.198
  165    HA   GLU  22           HA       GLU  22   3.063  -5.691  -2.582
  166   1HB   GLU  22          1HB       GLU  22   5.362  -5.933  -4.494
  167   2HB   GLU  22          2HB       GLU  22   4.555  -4.386  -4.316
  168   1HG   GLU  22          1HG       GLU  22   5.694  -3.961  -2.469
  169   2HG   GLU  22          2HG       GLU  22   5.148  -5.466  -1.725
  170    H    VAL  23           H        VAL  23   2.024  -3.959  -3.755
  171    HA   VAL  23           HA       VAL  23   0.950  -4.756  -6.370
  172    HB   VAL  23           HB       VAL  23  -1.188  -3.491  -5.636
  173   1HG1  VAL  23          1HG1      VAL  23  -0.535  -6.229  -4.595
  174   2HG1  VAL  23          2HG1      VAL  23  -1.242  -5.818  -6.159
  175   3HG1  VAL  23          3HG1      VAL  23  -2.160  -5.549  -4.679
  176   1HG2  VAL  23          1HG2      VAL  23  -1.080  -2.611  -3.596
  177   2HG2  VAL  23          2HG2      VAL  23   0.268  -3.640  -3.118
  178   3HG2  VAL  23          3HG2      VAL  23  -1.382  -4.249  -3.021
  179    H    THR  24           H        THR  24   0.335  -3.013  -7.734
  180    HA   THR  24           HA       THR  24   2.060  -0.705  -7.342
  181    HB   THR  24           HB       THR  24   0.400  -1.569  -9.720
  182    HG1  THR  24           HG1      THR  24   2.090  -2.980  -9.503
  183   1HG2  THR  24          1HG2      THR  24   0.744   0.851  -9.759
  184   2HG2  THR  24          2HG2      THR  24   1.708   0.066 -11.006
  185   3HG2  THR  24          3HG2      THR  24   2.476   0.623  -9.521
  186    H    MET  25           H        MET  25   1.375   1.410  -7.229
  187    HA   MET  25           HA       MET  25  -1.484   2.000  -7.305
  188   1HB   MET  25          1HB       MET  25  -1.496   3.124  -5.166
  189   2HB   MET  25          2HB       MET  25  -0.949   1.462  -4.930
  190   1HG   MET  25          1HG       MET  25   1.273   2.124  -4.577
  191   2HG   MET  25          2HG       MET  25   0.985   3.730  -5.255
  192   1HE   MET  25          1HE       MET  25  -1.731   2.258  -2.984
  193   2HE   MET  25          2HE       MET  25  -1.171   2.617  -1.351
  194   3HE   MET  25          3HE       MET  25  -0.353   1.385  -2.310
  195    H    LYS  26           H        LYS  26  -1.924   4.285  -7.460
  196    HA   LYS  26           HA       LYS  26   0.411   5.849  -8.349
  197   1HB   LYS  26          1HB       LYS  26  -2.354   5.886  -9.589
  198   2HB   LYS  26          2HB       LYS  26  -1.037   6.960 -10.030
  199   1HG   LYS  26          1HG       LYS  26  -0.760   5.431 -11.661
  200   2HG   LYS  26          2HG       LYS  26   0.196   4.624 -10.418
  201   1HD   LYS  26          1HD       LYS  26  -1.777   3.292  -9.797
  202   2HD   LYS  26          2HD       LYS  26  -2.700   4.079 -11.080
  203   1HE   LYS  26          1HE       LYS  26  -1.052   3.207 -12.720
  204   2HE   LYS  26          2HE       LYS  26  -0.267   2.327 -11.409
  205   1HZ   LYS  26          1HZ       LYS  26  -2.419   1.186 -11.022
  206   2HZ   LYS  26          2HZ       LYS  26  -1.737   0.853 -12.540
  207   3HZ   LYS  26          3HZ       LYS  26  -3.036   1.937 -12.416
  208    H    LYS  27           H        LYS  27   0.414   8.043  -7.884
  209    HA   LYS  27           HA       LYS  27  -0.739   8.841  -5.466
  210   1HB   LYS  27          1HB       LYS  27   1.065  10.177  -5.937
  211   2HB   LYS  27          2HB       LYS  27   0.736  10.211  -7.661
  212   1HG   LYS  27          1HG       LYS  27   0.345  12.386  -7.107
  213   2HG   LYS  27          2HG       LYS  27  -1.279  11.718  -6.942
  214   1HD   LYS  27          1HD       LYS  27  -1.072  11.604  -4.570
  215   2HD   LYS  27          2HD       LYS  27   0.650  11.985  -4.645
  216   1HE   LYS  27          1HE       LYS  27  -0.108  14.169  -5.777
  217   2HE   LYS  27          2HE       LYS  27  -1.703  13.777  -5.139
  218   1HZ   LYS  27          1HZ       LYS  27  -0.604  15.203  -3.605
  219   2HZ   LYS  27          2HZ       LYS  27   0.786  14.234  -3.586
  220   3HZ   LYS  27          3HZ       LYS  27  -0.655  13.660  -2.900
  221    H    GLY  28           H        GLY  28  -2.674   9.578  -4.923
  222   1HA   GLY  28          1HA       GLY  28  -4.593  11.017  -5.325
  223   2HA   GLY  28          2HA       GLY  28  -4.398  10.702  -7.047
  224    H    ASP  29           H        ASP  29  -3.941   7.802  -5.589
  225    HA   ASP  29           HA       ASP  29  -6.690   7.007  -6.154
  226   1HB   ASP  29          1HB       ASP  29  -4.218   5.835  -6.741
  227   2HB   ASP  29          2HB       ASP  29  -4.905   4.830  -5.460
  228    H    ILE  30           H        ILE  30  -7.907   5.762  -4.725
  229    HA   ILE  30           HA       ILE  30  -7.108   6.052  -1.915
  230    HB   ILE  30           HB       ILE  30  -9.785   5.943  -3.277
  231   1HG1  ILE  30          1HG1      ILE  30 -10.289   7.859  -1.864
  232   2HG1  ILE  30          2HG1      ILE  30  -8.777   7.665  -0.994
  233   1HG2  ILE  30          1HG2      ILE  30  -9.292   5.230  -0.395
  234   2HG2  ILE  30          2HG2      ILE  30  -9.997   4.205  -1.645
  235   3HG2  ILE  30          3HG2      ILE  30 -10.873   5.624  -1.071
  236   1HD1  ILE  30          1HD1      ILE  30  -8.530   9.482  -2.499
  237   2HD1  ILE  30          2HD1      ILE  30  -9.155   8.530  -3.845
  238   3HD1  ILE  30          3HD1      ILE  30  -7.585   8.138  -3.145
  239    H    LEU  31           H        LEU  31  -6.300   4.314  -1.030
  240    HA   LEU  31           HA       LEU  31  -6.893   1.679  -2.181
  241   1HB   LEU  31          1HB       LEU  31  -4.643   2.806  -0.576
  242   2HB   LEU  31          2HB       LEU  31  -4.946   1.088  -0.521
  243    HG   LEU  31           HG       LEU  31  -3.164   1.868  -2.121
  244   1HD1  LEU  31          1HD1      LEU  31  -5.460   0.196  -3.068
  245   2HD1  LEU  31          2HD1      LEU  31  -3.943  -0.331  -2.331
  246   3HD1  LEU  31          3HD1      LEU  31  -3.944   0.356  -3.957
  247   1HD2  LEU  31          1HD2      LEU  31  -5.509   2.769  -3.778
  248   2HD2  LEU  31          2HD2      LEU  31  -3.819   2.728  -4.279
  249   3HD2  LEU  31          3HD2      LEU  31  -4.335   3.836  -3.007
  250    H    THR  32           H        THR  32  -7.478  -0.059  -0.850
  251    HA   THR  32           HA       THR  32  -8.796   0.717   1.645
  252    HB   THR  32           HB       THR  32  -8.999  -1.936   0.204
  253    HG1  THR  32           HG1      THR  32 -10.071  -0.757  -1.216
  254   1HG2  THR  32          1HG2      THR  32 -10.513  -0.639   2.457
  255   2HG2  THR  32          2HG2      THR  32  -9.725  -2.222   2.427
  256   3HG2  THR  32          3HG2      THR  32 -11.207  -1.955   1.506
  257    H    LEU  33           H        LEU  33  -7.918   0.225   3.555
  258    HA   LEU  33           HA       LEU  33  -5.405  -1.140   3.662
  259   1HB   LEU  33          1HB       LEU  33  -7.065   0.418   5.473
  260   2HB   LEU  33          2HB       LEU  33  -6.284  -0.934   6.268
  261    HG   LEU  33           HG       LEU  33  -4.925   1.290   4.761
  262   1HD1  LEU  33          1HD1      LEU  33  -4.054   1.906   6.935
  263   2HD1  LEU  33          2HD1      LEU  33  -4.905   0.558   7.686
  264   3HD1  LEU  33          3HD1      LEU  33  -5.821   1.888   6.975
  265   1HD2  LEU  33          1HD2      LEU  33  -3.698  -0.785   4.436
  266   2HD2  LEU  33          2HD2      LEU  33  -3.728  -1.095   6.171
  267   3HD2  LEU  33          3HD2      LEU  33  -2.824   0.282   5.535
  268    H    LEU  34           H        LEU  34  -5.053  -3.201   3.890
  269    HA   LEU  34           HA       LEU  34  -7.257  -4.927   4.781
  270   1HB   LEU  34          1HB       LEU  34  -4.729  -5.736   3.341
  271   2HB   LEU  34          2HB       LEU  34  -6.146  -6.722   3.620
  272    HG   LEU  34           HG       LEU  34  -6.010  -4.303   1.821
  273   1HD1  LEU  34          1HD1      LEU  34  -6.324  -7.222   1.144
  274   2HD1  LEU  34          2HD1      LEU  34  -4.841  -6.288   0.958
  275   3HD1  LEU  34          3HD1      LEU  34  -6.266  -5.877   0.006
  276   1HD2  LEU  34          1HD2      LEU  34  -8.277  -4.982   1.120
  277   2HD2  LEU  34          2HD2      LEU  34  -8.211  -4.473   2.807
  278   3HD2  LEU  34          3HD2      LEU  34  -8.291  -6.190   2.406
  279    H    ASN  35           H        ASN  35  -3.858  -4.147   5.276
  280    HA   ASN  35           HA       ASN  35  -3.997  -5.065   8.013
  281   1HB   ASN  35          1HB       ASN  35  -3.437  -7.119   6.618
  282   2HB   ASN  35          2HB       ASN  35  -1.923  -6.325   6.210
  283   1HD2  ASN  35          1HD2      ASN  35  -2.668  -8.790   7.796
  284   2HD2  ASN  35          2HD2      ASN  35  -1.780  -8.616   9.276
  285    H    SER  36           H        SER  36  -2.815  -3.737   9.249
  286    HA   SER  36           HA       SER  36  -0.575  -2.287   8.025
  287   1HB   SER  36          1HB       SER  36  -1.301  -0.340   9.545
  288   2HB   SER  36          2HB       SER  36  -2.288  -0.649   8.107
  289    HG   SER  36           HG       SER  36  -3.811  -1.669   9.397
  290    H    THR  37           H        THR  37  -0.543  -4.696   9.631
  291    HA   THR  37           HA       THR  37   0.155  -4.077  12.317
  292    HB   THR  37           HB       THR  37  -0.644  -6.315  11.426
  293    HG1  THR  37           HG1      THR  37   0.768  -5.698  13.503
  294   1HG2  THR  37          1HG2      THR  37   2.278  -6.578  10.704
  295   2HG2  THR  37          2HG2      THR  37   0.915  -6.600   9.582
  296   3HG2  THR  37          3HG2      THR  37   1.116  -7.906  10.749
  297    H    ASN  38           H        ASN  38   1.751  -3.526   9.465
  298    HA   ASN  38           HA       ASN  38   4.417  -3.617  10.705
  299   1HB   ASN  38          1HB       ASN  38   4.013  -4.933   8.596
  300   2HB   ASN  38          2HB       ASN  38   3.684  -3.422   7.773
  301   1HD2  ASN  38          1HD2      ASN  38   5.757  -5.452   7.278
  302   2HD2  ASN  38          2HD2      ASN  38   7.270  -4.615   7.380
  303    H    LYS  39           H        LYS  39   5.728  -1.685  10.509
  304    HA   LYS  39           HA       LYS  39   4.039   0.704  10.271
  305   1HB   LYS  39          1HB       LYS  39   5.837   1.896  11.484
  306   2HB   LYS  39          2HB       LYS  39   5.123   0.578  12.396
  307   1HG   LYS  39          1HG       LYS  39   7.065  -0.557  12.507
  308   2HG   LYS  39          2HG       LYS  39   7.555  -0.103  10.875
  309   1HD   LYS  39          1HD       LYS  39   7.567   1.827  13.180
  310   2HD   LYS  39          2HD       LYS  39   8.963   0.835  12.749
  311   1HE   LYS  39          1HE       LYS  39   9.028   1.829  10.544
  312   2HE   LYS  39          2HE       LYS  39   7.566   2.753  10.888
  313   1HZ   LYS  39          1HZ       LYS  39  10.144   3.034  12.333
  314   2HZ   LYS  39          2HZ       LYS  39   8.745   3.957  12.591
  315   3HZ   LYS  39          3HZ       LYS  39   9.583   4.079  11.121
  316    H    ASP  40           H        ASP  40   6.174  -0.959   8.377
  317    HA   ASP  40           HA       ASP  40   6.960   1.513   6.966
  318   1HB   ASP  40          1HB       ASP  40   8.365  -1.156   7.105
  319   2HB   ASP  40          2HB       ASP  40   8.819   0.129   5.979
  320    H    TRP  41           H        TRP  41   5.362  -1.513   6.724
  321    HA   TRP  41           HA       TRP  41   4.720  -0.968   3.917
  322   1HB   TRP  41          1HB       TRP  41   5.469  -3.643   5.124
  323   2HB   TRP  41          2HB       TRP  41   4.734  -3.449   3.543
  324    HD1  TRP  41           HD1      TRP  41   8.015  -2.919   5.398
  325    HE1  TRP  41           HE1      TRP  41   9.895  -2.541   3.685
  326    HE3  TRP  41           HE3      TRP  41   5.181  -2.551   1.157
  327    HZ2  TRP  41           HZ2      TRP  41  10.139  -2.130   0.898
  328    HZ3  TRP  41           HZ3      TRP  41   6.314  -2.160  -0.988
  329    HH2  TRP  41           HH2      TRP  41   8.745  -1.953  -1.112
  330    H    TRP  42           H        TRP  42   2.592  -1.038   3.483
  331    HA   TRP  42           HA       TRP  42   0.816  -2.281   5.484
  332   1HB   TRP  42          1HB       TRP  42   0.562   0.336   4.011
  333   2HB   TRP  42          2HB       TRP  42  -0.875  -0.508   4.594
  334    HD1  TRP  42           HD1      TRP  42   1.754  -1.133   7.026
  335    HE1  TRP  42           HE1      TRP  42   1.571   0.428   9.044
  336    HE3  TRP  42           HE3      TRP  42  -1.482   2.302   5.111
  337    HZ2  TRP  42           HZ2      TRP  42   0.243   2.808   9.731
  338    HZ3  TRP  42           HZ3      TRP  42  -2.170   4.212   6.522
  339    HH2  TRP  42           HH2      TRP  42  -1.317   4.445   8.785
  340    H    LYS  43           H        LYS  43  -0.734  -3.650   4.712
  341    HA   LYS  43           HA       LYS  43  -0.584  -4.283   1.870
  342   1HB   LYS  43          1HB       LYS  43  -0.541  -6.131   3.548
  343   2HB   LYS  43          2HB       LYS  43  -2.173  -5.684   4.032
  344   1HG   LYS  43          1HG       LYS  43  -2.991  -6.161   1.774
  345   2HG   LYS  43          2HG       LYS  43  -1.361  -6.592   1.273
  346   1HD   LYS  43          1HD       LYS  43  -3.209  -8.383   2.098
  347   2HD   LYS  43          2HD       LYS  43  -1.473  -8.640   2.207
  348   1HE   LYS  43          1HE       LYS  43  -1.541  -7.775   4.525
  349   2HE   LYS  43          2HE       LYS  43  -3.302  -7.652   4.404
  350   1HZ   LYS  43          1HZ       LYS  43  -1.609 -10.029   4.630
  351   2HZ   LYS  43          2HZ       LYS  43  -3.021 -10.162   3.703
  352   3HZ   LYS  43          3HZ       LYS  43  -3.116  -9.695   5.331
  353    H    VAL  44           H        VAL  44  -1.987  -3.555   0.458
  354    HA   VAL  44           HA       VAL  44  -4.661  -2.747   1.356
  355    HB   VAL  44           HB       VAL  44  -4.491  -0.794  -0.258
  356   1HG1  VAL  44          1HG1      VAL  44  -4.465  -0.421   2.132
  357   2HG1  VAL  44          2HG1      VAL  44  -3.293   0.648   1.363
  358   3HG1  VAL  44          3HG1      VAL  44  -2.743  -0.801   2.202
  359   1HG2  VAL  44          1HG2      VAL  44  -1.549  -1.414  -0.015
  360   2HG2  VAL  44          2HG2      VAL  44  -2.233   0.041  -0.739
  361   3HG2  VAL  44          3HG2      VAL  44  -2.523  -1.531  -1.481
  362    H    GLU  45           H        GLU  45  -6.099  -2.333  -0.606
  363    HA   GLU  45           HA       GLU  45  -5.431  -4.251  -2.745
  364   1HB   GLU  45          1HB       GLU  45  -7.194  -5.138  -1.268
  365   2HB   GLU  45          2HB       GLU  45  -8.145  -3.681  -1.519
  366   1HG   GLU  45          1HG       GLU  45  -7.864  -4.431  -4.064
  367   2HG   GLU  45          2HG       GLU  45  -7.734  -6.008  -3.291
  368    H    VAL  46           H        VAL  46  -5.477  -3.498  -4.755
  369    HA   VAL  46           HA       VAL  46  -6.906  -0.960  -5.290
  370    HB   VAL  46           HB       VAL  46  -5.123  -1.460  -7.401
  371   1HG1  VAL  46          1HG1      VAL  46  -4.958   0.586  -5.208
  372   2HG1  VAL  46          2HG1      VAL  46  -5.891   0.711  -6.702
  373   3HG1  VAL  46          3HG1      VAL  46  -4.128   0.665  -6.764
  374   1HG2  VAL  46          1HG2      VAL  46  -2.928  -1.426  -6.293
  375   2HG2  VAL  46          2HG2      VAL  46  -3.819  -2.928  -6.043
  376   3HG2  VAL  46          3HG2      VAL  46  -3.733  -1.727  -4.751
  377    H    ASN  47           H        ASN  47  -8.604  -1.282  -6.526
  378    HA   ASN  47           HA       ASN  47 -10.085  -2.025  -8.007
  379   1HB   ASN  47          1HB       ASN  47  -9.356  -2.832 -10.153
  380   2HB   ASN  47          2HB       ASN  47  -8.396  -1.481  -9.663
  381   1HD2  ASN  47          1HD2      ASN  47  -6.190  -1.700  -9.648
  382   2HD2  ASN  47          2HD2      ASN  47  -5.372  -3.180 -10.001
  383    H    ASP  48           H        ASP  48  -7.714  -4.522  -7.631
  384    HA   ASP  48           HA       ASP  48  -9.529  -6.356  -6.390
  385   1HB   ASP  48          1HB       ASP  48 -10.196  -6.568  -8.810
  386   2HB   ASP  48          2HB       ASP  48  -8.564  -7.150  -9.151
  387    H    ARG  49           H        ARG  49  -6.487  -5.281  -7.261
  388    HA   ARG  49           HA       ARG  49  -5.108  -7.776  -6.734
  389   1HB   ARG  49          1HB       ARG  49  -4.072  -5.014  -7.399
  390   2HB   ARG  49          2HB       ARG  49  -3.046  -6.412  -7.125
  391   1HG   ARG  49          1HG       ARG  49  -5.065  -6.095  -9.345
  392   2HG   ARG  49          2HG       ARG  49  -3.316  -5.999  -9.495
  393   1HD   ARG  49          1HD       ARG  49  -3.790  -8.150 -10.214
  394   2HD   ARG  49          2HD       ARG  49  -3.316  -8.389  -8.533
  395    HE   ARG  49           HE       ARG  49  -6.155  -8.259  -9.386
  396   1HH1  ARG  49          1HH1      ARG  49  -3.545  -9.718  -7.554
  397   2HH1  ARG  49          2HH1      ARG  49  -4.553 -10.944  -6.834
  398   1HH2  ARG  49          1HH2      ARG  49  -7.495  -9.870  -8.426
  399   2HH2  ARG  49          2HH2      ARG  49  -6.790 -11.034  -7.340
  400    H    GLN  50           H        GLN  50  -4.309  -8.346  -4.868
  401    HA   GLN  50           HA       GLN  50  -4.383  -6.395  -2.668
  402   1HB   GLN  50          1HB       GLN  50  -4.564  -9.416  -2.617
  403   2HB   GLN  50          2HB       GLN  50  -4.482  -8.402  -1.183
  404   1HG   GLN  50          1HG       GLN  50  -6.598  -7.446  -1.621
  405   2HG   GLN  50          2HG       GLN  50  -6.658  -8.136  -3.239
  406   1HE2  GLN  50          1HE2      GLN  50  -5.557  -9.842  -0.391
  407   2HE2  GLN  50          2HE2      GLN  50  -6.865 -10.970  -0.327
  408    H    GLY  51           H        GLY  51  -2.566  -5.969  -1.558
  409   1HA   GLY  51          1HA       GLY  51  -0.425  -7.585  -1.195
  410   2HA   GLY  51          2HA       GLY  51  -0.014  -6.783  -2.640
  411    H    PHE  52           H        PHE  52   1.772  -6.169  -1.156
  412    HA   PHE  52           HA       PHE  52   1.063  -4.179   0.843
  413   1HB   PHE  52          1HB       PHE  52   3.564  -5.740   0.252
  414   2HB   PHE  52          2HB       PHE  52   3.523  -4.413   1.415
  415    HD1  PHE  52           HD1      PHE  52   2.972  -4.837   3.612
  416    HD2  PHE  52           HD2      PHE  52   1.836  -7.633   0.598
  417    HE1  PHE  52           HE1      PHE  52   2.207  -6.392   5.356
  418    HE2  PHE  52           HE2      PHE  52   1.070  -9.195   2.351
  419    HZ   PHE  52           HZ       PHE  52   1.260  -8.577   4.725
  420    H    VAL  53           H        VAL  53   1.890  -2.193   0.970
  421    HA   VAL  53           HA       VAL  53   3.585  -1.144  -1.170
  422    HB   VAL  53           HB       VAL  53   2.233   0.852  -1.429
  423   1HG1  VAL  53          1HG1      VAL  53   0.461  -1.560  -1.682
  424   2HG1  VAL  53          2HG1      VAL  53   1.708  -1.096  -2.840
  425   3HG1  VAL  53          3HG1      VAL  53   0.312  -0.047  -2.578
  426   1HG2  VAL  53          1HG2      VAL  53  -0.114   0.831  -0.383
  427   2HG2  VAL  53          2HG2      VAL  53   1.258   1.246   0.649
  428   3HG2  VAL  53          3HG2      VAL  53   0.548  -0.367   0.733
  429    HA   PRO  54           HA       PRO  54   5.733   0.826   2.164
  430   1HB   PRO  54          1HB       PRO  54   5.552   3.367   0.623
  431   2HB   PRO  54          2HB       PRO  54   6.986   2.544   1.259
  432   1HG   PRO  54          1HG       PRO  54   6.437   2.490  -1.337
  433   2HG   PRO  54          2HG       PRO  54   7.058   1.043  -0.519
  434   1HD   PRO  54          1HD       PRO  54   4.265   1.695  -1.375
  435   2HD   PRO  54          2HD       PRO  54   5.134   0.146  -1.448
  436    H    ALA  55           H        ALA  55   4.834   1.452   4.045
  437    HA   ALA  55           HA       ALA  55   2.277   2.641   4.261
  438   1HB   ALA  55          1HB       ALA  55   2.916   3.026   6.646
  439   2HB   ALA  55          2HB       ALA  55   4.537   2.454   6.254
  440   3HB   ALA  55          3HB       ALA  55   3.155   1.364   6.104
  441    H    ALA  56           H        ALA  56   5.490   3.922   3.943
  442    HA   ALA  56           HA       ALA  56   4.906   6.604   4.719
  443   1HB   ALA  56          1HB       ALA  56   7.102   7.114   4.059
  444   2HB   ALA  56          2HB       ALA  56   7.163   5.770   2.913
  445   3HB   ALA  56          3HB       ALA  56   7.183   5.454   4.653
  446    H    TYR  57           H        TYR  57   3.983   4.806   2.089
  447    HA   TYR  57           HA       TYR  57   3.899   7.129   0.266
  448   1HB   TYR  57          1HB       TYR  57   3.817   4.161  -0.206
  449   2HB   TYR  57          2HB       TYR  57   3.122   5.266  -1.390
  450    HD1  TYR  57           HD1      TYR  57   4.488   5.450  -3.211
  451    HD2  TYR  57           HD2      TYR  57   6.258   5.357   0.658
  452    HE1  TYR  57           HE1      TYR  57   6.691   5.838  -4.220
  453    HE2  TYR  57           HE2      TYR  57   8.462   5.756  -0.332
  454    HH   TYR  57           HH       TYR  57   9.637   5.719  -2.302
  455    H    VAL  58           H        VAL  58   2.079   5.749   2.549
  456    HA   VAL  58           HA       VAL  58  -0.404   6.500   1.212
  457    HB   VAL  58           HB       VAL  58   0.409   3.861   1.843
  458   1HG1  VAL  58          1HG1      VAL  58  -1.884   4.809   3.517
  459   2HG1  VAL  58          2HG1      VAL  58  -0.399   4.023   4.051
  460   3HG1  VAL  58          3HG1      VAL  58  -1.595   3.115   3.122
  461   1HG2  VAL  58          1HG2      VAL  58  -1.733   3.269   0.782
  462   2HG2  VAL  58          2HG2      VAL  58  -0.798   4.452  -0.133
  463   3HG2  VAL  58          3HG2      VAL  58  -2.188   4.973   0.821
  464    H    LYS  59           H        LYS  59  -2.054   7.241   2.649
  465    HA   LYS  59           HA       LYS  59  -1.288   7.518   5.458
  466   1HB   LYS  59          1HB       LYS  59  -0.683   9.686   5.177
  467   2HB   LYS  59          2HB       LYS  59  -1.206   9.651   3.501
  468   1HG   LYS  59          1HG       LYS  59  -3.395   9.840   5.425
  469   2HG   LYS  59          2HG       LYS  59  -2.279  11.205   5.447
  470   1HD   LYS  59          1HD       LYS  59  -2.735  11.773   3.235
  471   2HD   LYS  59          2HD       LYS  59  -3.350  10.164   2.851
  472   1HE   LYS  59          1HE       LYS  59  -5.230  11.610   2.945
  473   2HE   LYS  59          2HE       LYS  59  -5.261  10.635   4.412
  474   1HZ   LYS  59          1HZ       LYS  59  -4.477  13.475   4.130
  475   2HZ   LYS  59          2HZ       LYS  59  -4.092  12.567   5.508
  476   3HZ   LYS  59          3HZ       LYS  59  -5.712  12.816   5.082
  477    H    LYS  60           H        LYS  60  -2.924   7.499   6.866
  478    HA   LYS  60           HA       LYS  60  -5.431   6.467   6.224
  479   1HB   LYS  60          1HB       LYS  60  -4.226   7.628   8.648
  480   2HB   LYS  60          2HB       LYS  60  -5.937   7.964   8.514
  481   1HG   LYS  60          1HG       LYS  60  -5.540   6.020   9.878
  482   2HG   LYS  60          2HG       LYS  60  -6.415   5.571   8.419
  483   1HD   LYS  60          1HD       LYS  60  -4.653   4.409   7.574
  484   2HD   LYS  60          2HD       LYS  60  -3.454   5.414   8.373
  485   1HE   LYS  60          1HE       LYS  60  -3.453   3.204   9.378
  486   2HE   LYS  60          2HE       LYS  60  -4.084   4.364  10.525
  487   1HZ   LYS  60          1HZ       LYS  60  -6.012   3.320  10.627
  488   2HZ   LYS  60          2HZ       LYS  60  -5.295   2.039   9.782
  489   3HZ   LYS  60          3HZ       LYS  60  -6.167   3.233   8.938
  490    H    LEU  61           H        LEU  61  -7.316   7.325   5.559
  491    HA   LEU  61           HA       LEU  61  -7.325  10.136   4.847
  492   1HB   LEU  61          1HB       LEU  61  -9.261   7.882   4.374
  493   2HB   LEU  61          2HB       LEU  61  -9.641   9.537   3.946
  494    HG   LEU  61           HG       LEU  61  -7.193   8.153   2.878
  495   1HD1  LEU  61          1HD1      LEU  61  -8.361   7.317   1.062
  496   2HD1  LEU  61          2HD1      LEU  61  -9.760   8.348   1.354
  497   3HD1  LEU  61          3HD1      LEU  61  -9.444   6.970   2.408
  498   1HD2  LEU  61          1HD2      LEU  61  -8.762  10.613   2.181
  499   2HD2  LEU  61          2HD2      LEU  61  -7.710   9.827   1.005
  500   3HD2  LEU  61          3HD2      LEU  61  -7.036  10.455   2.507
  501    H    ASP  62           H        ASP  62  -8.555   8.108   7.330
  502    HA   ASP  62           HA       ASP  62  -9.532  10.380   8.793
  503   1HB   ASP  62          1HB       ASP  62 -11.518   9.941   7.446
  504   2HB   ASP  62          2HB       ASP  62 -11.486   8.243   7.912
  505   1H    ACE   0          1H        ACE   0   2.831 -11.631   3.583
  506   2H    ACE   0          2H        ACE   0   4.247 -12.262   4.420
  507   3H    ACE   0          3H        ACE   0   4.239 -12.243   2.659
  508    H    ALA   1           H        ALA   1   4.084 -10.145   5.499
  509    HA   ALA   1           HA       ALA   1   4.536  -7.715   4.169
  510   1HB   ALA   1          1HB       ALA   1   3.687  -7.949   6.493
  511   2HB   ALA   1          2HB       ALA   1   5.002  -6.787   6.329
  512   3HB   ALA   1          3HB       ALA   1   5.320  -8.386   7.001
  513    HA   PRO   2           HA       PRO   2   8.795  -8.184   2.909
  514   1HB   PRO   2          1HB       PRO   2   8.592  -5.219   2.784
  515   2HB   PRO   2          2HB       PRO   2   9.113  -6.365   1.543
  516   1HG   PRO   2          1HG       PRO   2   6.734  -5.199   1.376
  517   2HG   PRO   2          2HG       PRO   2   6.935  -6.909   0.944
  518   1HD   PRO   2          1HD       PRO   2   5.802  -5.703   3.441
  519   2HD   PRO   2          2HD       PRO   2   5.241  -7.112   2.515
  520    H    SER   3           H        SER   3  10.339  -8.518   4.353
  521    HA   SER   3           HA       SER   3  10.446  -6.927   6.787
  522   1HB   SER   3          1HB       SER   3  12.281  -9.208   6.089
  523   2HB   SER   3          2HB       SER   3  11.774  -8.647   7.684
  524    HG   SER   3           HG       SER   3   9.557  -9.253   6.516
  525    H    TYR   4           H        TYR   4  11.093  -5.230   4.868
  526    HA   TYR   4           HA       TYR   4  13.841  -4.626   5.464
  527   1HB   TYR   4          1HB       TYR   4  14.430  -4.285   3.032
  528   2HB   TYR   4          2HB       TYR   4  14.305  -5.956   3.554
  529    HD1  TYR   4           HD1      TYR   4  12.681  -3.293   1.594
  530    HD2  TYR   4           HD2      TYR   4  12.668  -7.422   2.614
  531    HE1  TYR   4           HE1      TYR   4  11.136  -3.741  -0.262
  532    HE2  TYR   4           HE2      TYR   4  11.115  -7.881   0.764
  533    HH   TYR   4           HH       TYR   4   9.396  -6.577  -0.573
  534    H    SER   5           H        SER   5  14.446  -2.479   4.288
  535    HA   SER   5           HA       SER   5  12.427  -0.603   5.068
  536   1HB   SER   5          1HB       SER   5  15.132  -0.188   3.777
  537   2HB   SER   5          2HB       SER   5  14.117   1.095   4.435
  538    HG   SER   5           HG       SER   5  14.700   0.567   6.387
  539    HA   PRO   6           HA       PRO   6  10.568  -0.134   1.055
  540   1HB   PRO   6          1HB       PRO   6   9.001   1.989   1.642
  541   2HB   PRO   6          2HB       PRO   6   8.645   0.363   2.235
  542   1HG   PRO   6          1HG       PRO   6   9.929   2.660   3.654
  543   2HG   PRO   6          2HG       PRO   6   8.730   1.500   4.253
  544   1HD   PRO   6          1HD       PRO   6  11.403   1.326   4.790
  545   2HD   PRO   6          2HD       PRO   6  10.317  -0.075   4.738
  546    HA   PRO   7           HA       PRO   7  13.021   2.859  -1.095
  547   1HB   PRO   7          1HB       PRO   7  11.150   3.783  -2.920
  548   2HB   PRO   7          2HB       PRO   7  12.117   2.318  -3.113
  549   1HG   PRO   7          1HG       PRO   7   9.302   2.619  -2.158
  550   2HG   PRO   7          2HG       PRO   7  10.006   1.374  -3.206
  551   1HD   PRO   7          1HD       PRO   7   9.482   0.896  -0.621
  552   2HD   PRO   7          2HD       PRO   7  10.911   0.206  -1.421
  553    HA   PRO   8           HA       PRO   8  12.191   6.532   1.337
  554   1HB   PRO   8          1HB       PRO   8  13.930   8.076  -0.257
  555   2HB   PRO   8          2HB       PRO   8  14.335   7.245   1.247
  556   1HG   PRO   8          1HG       PRO   8  14.765   6.383  -1.570
  557   2HG   PRO   8          2HG       PRO   8  15.766   6.091  -0.135
  558   1HD   PRO   8          1HD       PRO   8  14.251   4.155  -1.168
  559   2HD   PRO   8          2HD       PRO   8  14.425   4.333   0.592
  560    HA   PRO   9           HA       PRO   9   9.026   8.238  -1.350
  561   1HB   PRO   9          1HB       PRO   9   8.655  10.061   0.947
  562   2HB   PRO   9          2HB       PRO   9   7.492   8.985   0.166
  563   1HG   PRO   9          1HG       PRO   9   8.491   8.441   2.588
  564   2HG   PRO   9          2HG       PRO   9   8.143   7.157   1.415
  565   1HD   PRO   9          1HD       PRO   9  10.767   8.382   2.164
  566   2HD   PRO   9          2HD       PRO   9  10.370   6.684   1.829
  567    HA   PRO  10           HA       PRO  10  11.124  11.822  -2.897
  568   1HB   PRO  10          1HB       PRO  10   8.652  12.618  -4.209
  569   2HB   PRO  10          2HB       PRO  10  10.138  11.998  -4.931
  570   1HG   PRO  10          1HG       PRO  10   7.816  10.591  -4.879
  571   2HG   PRO  10          2HG       PRO  10   9.416   9.825  -4.866
  572   1HD   PRO  10          1HD       PRO  10   7.528  10.320  -2.596
  573   2HD   PRO  10          2HD       PRO  10   8.539   8.896  -2.931
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1 -20.485  -8.314  -2.263
    2   2H    MET   1          2H        MET   1 -20.975  -6.707  -2.495
    3   3H    MET   1          3H        MET   1 -19.879  -7.086  -1.260
    4    HA   MET   1           HA       MET   1 -18.291  -7.853  -2.978
    5   1HB   MET   1          1HB       MET   1 -20.390  -6.619  -4.768
    6   2HB   MET   1          2HB       MET   1 -18.741  -6.945  -5.286
    7   1HG   MET   1          1HG       MET   1 -20.015  -8.746  -6.062
    8   2HG   MET   1          2HG       MET   1 -19.165  -9.357  -4.643
    9   1HE   MET   1          1HE       MET   1 -20.731 -11.413  -4.280
   10   2HE   MET   1          2HE       MET   1 -21.517 -10.978  -5.797
   11   3HE   MET   1          3HE       MET   1 -22.491 -11.330  -4.368
   12    H    ASP   2           H        ASP   2 -18.077  -6.087  -1.039
   13    HA   ASP   2           HA       ASP   2 -17.387  -3.564  -2.408
   14   1HB   ASP   2          1HB       ASP   2 -18.179  -3.686   0.525
   15   2HB   ASP   2          2HB       ASP   2 -17.823  -2.263  -0.437
   16    H    GLU   3           H        GLU   3 -15.488  -5.006  -2.738
   17    HA   GLU   3           HA       GLU   3 -13.674  -5.598  -0.631
   18   1HB   GLU   3          1HB       GLU   3 -12.882  -4.854  -3.528
   19   2HB   GLU   3          2HB       GLU   3 -11.763  -5.509  -2.344
   20   1HG   GLU   3          1HG       GLU   3 -12.595  -7.194  -3.921
   21   2HG   GLU   3          2HG       GLU   3 -12.954  -7.582  -2.244
   22    H    THR   4           H        THR   4 -14.499  -2.536  -1.862
   23    HA   THR   4           HA       THR   4 -12.162  -1.344  -0.566
   24    HB   THR   4           HB       THR   4 -12.666  -0.701  -3.005
   25    HG1  THR   4           HG1      THR   4 -11.343   0.489  -1.361
   26   1HG2  THR   4          1HG2      THR   4 -14.231   1.477  -2.831
   27   2HG2  THR   4          2HG2      THR   4 -15.036   0.457  -1.642
   28   3HG2  THR   4          3HG2      THR   4 -14.850  -0.102  -3.307
   29    H    GLY   5           H        GLY   5 -14.702  -2.390   0.596
   30   1HA   GLY   5          1HA       GLY   5 -15.759   0.029   1.884
   31   2HA   GLY   5          2HA       GLY   5 -16.502  -1.565   1.927
   32    H    LYS   6           H        LYS   6 -13.359  -0.163   2.765
   33    HA   LYS   6           HA       LYS   6 -13.562  -1.140   5.475
   34   1HB   LYS   6          1HB       LYS   6 -11.124  -1.712   3.737
   35   2HB   LYS   6          2HB       LYS   6 -11.397  -2.184   5.382
   36   1HG   LYS   6          1HG       LYS   6 -12.855  -3.899   4.811
   37   2HG   LYS   6          2HG       LYS   6 -13.203  -3.214   3.236
   38   1HD   LYS   6          1HD       LYS   6 -10.695  -3.630   2.772
   39   2HD   LYS   6          2HD       LYS   6 -10.804  -4.740   4.138
   40   1HE   LYS   6          1HE       LYS   6 -12.536  -5.996   3.042
   41   2HE   LYS   6          2HE       LYS   6 -12.626  -4.816   1.736
   42   1HZ   LYS   6          1HZ       LYS   6 -10.482  -5.460   0.964
   43   2HZ   LYS   6          2HZ       LYS   6 -11.375  -6.878   1.192
   44   3HZ   LYS   6          3HZ       LYS   6 -10.201  -6.430   2.329
   45    H    GLU   7           H        GLU   7 -10.937  -0.451   6.210
   46    HA   GLU   7           HA       GLU   7 -11.161   2.385   6.359
   47   1HB   GLU   7          1HB       GLU   7 -10.051   0.917   8.087
   48   2HB   GLU   7          2HB       GLU   7  -8.709   0.716   6.968
   49   1HG   GLU   7          1HG       GLU   7  -8.176   3.037   7.074
   50   2HG   GLU   7          2HG       GLU   7  -9.643   3.388   7.985
   51    H    LEU   8           H        LEU   8 -10.682   3.771   4.780
   52    HA   LEU   8           HA       LEU   8  -9.031   2.875   2.577
   53   1HB   LEU   8          1HB       LEU   8 -10.695   5.343   2.991
   54   2HB   LEU   8          2HB       LEU   8  -9.736   5.047   1.551
   55    HG   LEU   8           HG       LEU   8 -11.926   3.235   2.524
   56   1HD1  LEU   8          1HD1      LEU   8 -13.244   4.129   0.625
   57   2HD1  LEU   8          2HD1      LEU   8 -12.002   5.355   0.382
   58   3HD1  LEU   8          3HD1      LEU   8 -12.932   5.327   1.880
   59   1HD2  LEU   8          1HD2      LEU   8 -11.779   2.306   0.234
   60   2HD2  LEU   8          2HD2      LEU   8 -10.336   2.037   1.211
   61   3HD2  LEU   8          3HD2      LEU   8 -10.342   3.293  -0.029
   62    H    VAL   9           H        VAL   9  -7.351   3.935   1.733
   63    HA   VAL   9           HA       VAL   9  -5.974   5.952   3.375
   64    HB   VAL   9           HB       VAL   9  -3.820   4.830   2.408
   65   1HG1  VAL   9          1HG1      VAL   9  -4.032   5.029   4.709
   66   2HG1  VAL   9          2HG1      VAL   9  -3.768   3.304   4.436
   67   3HG1  VAL   9          3HG1      VAL   9  -5.392   3.907   4.780
   68   1HG2  VAL   9          1HG2      VAL   9  -4.834   3.165   1.038
   69   2HG2  VAL   9          2HG2      VAL   9  -5.763   2.534   2.395
   70   3HG2  VAL   9          3HG2      VAL   9  -4.008   2.356   2.368
   71    H    LEU  10           H        LEU  10  -4.387   7.165   2.144
   72    HA   LEU  10           HA       LEU  10  -5.203   7.432  -0.673
   73   1HB   LEU  10          1HB       LEU  10  -5.830   9.384   0.576
   74   2HB   LEU  10          2HB       LEU  10  -4.236   9.497   1.299
   75    HG   LEU  10           HG       LEU  10  -3.499   9.732  -1.238
   76   1HD1  LEU  10          1HD1      LEU  10  -5.290  11.285  -2.269
   77   2HD1  LEU  10          2HD1      LEU  10  -6.400  10.443  -1.189
   78   3HD1  LEU  10          3HD1      LEU  10  -5.487   9.537  -2.398
   79   1HD2  LEU  10          1HD2      LEU  10  -4.685  11.958   0.412
   80   2HD2  LEU  10          2HD2      LEU  10  -3.566  12.159  -0.938
   81   3HD2  LEU  10          3HD2      LEU  10  -3.039  11.335   0.530
   82    H    ALA  11           H        ALA  11  -3.663   7.333  -2.221
   83    HA   ALA  11           HA       ALA  11  -1.004   6.559  -1.408
   84   1HB   ALA  11          1HB       ALA  11  -1.340   7.088  -4.261
   85   2HB   ALA  11          2HB       ALA  11  -2.589   6.012  -3.616
   86   3HB   ALA  11          3HB       ALA  11  -0.886   5.594  -3.430
   87    H    LEU  12           H        LEU  12   0.358   8.101  -0.793
   88    HA   LEU  12           HA       LEU  12   0.147  10.811  -1.608
   89   1HB   LEU  12          1HB       LEU  12   2.152   9.260   0.001
   90   2HB   LEU  12          2HB       LEU  12   2.443  10.940  -0.445
   91    HG   LEU  12           HG       LEU  12   0.240  11.502   0.644
   92   1HD1  LEU  12          1HD1      LEU  12  -0.710   9.274   0.630
   93   2HD1  LEU  12          2HD1      LEU  12  -0.660   9.946   2.260
   94   3HD1  LEU  12          3HD1      LEU  12   0.525   8.733   1.768
   95   1HD2  LEU  12          1HD2      LEU  12   2.314  12.024   1.760
   96   2HD2  LEU  12          2HD2      LEU  12   2.474  10.358   2.319
   97   3HD2  LEU  12          3HD2      LEU  12   1.183  11.380   2.951
   98    H    TYR  13           H        TYR  13   2.169   8.103  -2.631
   99    HA   TYR  13           HA       TYR  13   3.177   9.802  -4.799
  100   1HB   TYR  13          1HB       TYR  13   5.062   7.875  -3.482
  101   2HB   TYR  13          2HB       TYR  13   5.430   9.296  -4.453
  102    HD1  TYR  13           HD1      TYR  13   5.034  11.582  -3.439
  103    HD2  TYR  13           HD2      TYR  13   4.969   8.006  -1.139
  104    HE1  TYR  13           HE1      TYR  13   5.333  12.903  -1.389
  105    HE2  TYR  13           HE2      TYR  13   5.272   9.313   0.915
  106    HH   TYR  13           HH       TYR  13   4.736  12.523   1.154
  107    H    ASP  14           H        ASP  14   4.282   8.469  -6.490
  108    HA   ASP  14           HA       ASP  14   2.610   6.276  -7.239
  109   1HB   ASP  14          1HB       ASP  14   3.477   7.959  -8.859
  110   2HB   ASP  14          2HB       ASP  14   5.104   7.359  -8.575
  111    H    TYR  15           H        TYR  15   3.105   4.186  -7.194
  112    HA   TYR  15           HA       TYR  15   5.807   3.366  -6.443
  113   1HB   TYR  15          1HB       TYR  15   4.587   3.470  -4.330
  114   2HB   TYR  15          2HB       TYR  15   3.306   2.462  -4.997
  115    HD1  TYR  15           HD1      TYR  15   3.358   0.198  -4.513
  116    HD2  TYR  15           HD2      TYR  15   7.007   2.387  -4.489
  117    HE1  TYR  15           HE1      TYR  15   4.558  -1.815  -3.772
  118    HE2  TYR  15           HE2      TYR  15   8.212   0.385  -3.759
  119    HH   TYR  15           HH       TYR  15   6.868  -2.715  -3.823
  120    H    GLN  16           H        GLN  16   6.417   1.357  -7.173
  121    HA   GLN  16           HA       GLN  16   4.528  -0.051  -8.956
  122   1HB   GLN  16          1HB       GLN  16   7.217   1.025  -9.368
  123   2HB   GLN  16          2HB       GLN  16   7.183  -0.697  -9.643
  124   1HG   GLN  16          1HG       GLN  16   5.603   1.423 -11.086
  125   2HG   GLN  16          2HG       GLN  16   6.887   0.407 -11.720
  126   1HE2  GLN  16          1HE2      GLN  16   6.071  -2.036 -10.607
  127   2HE2  GLN  16          2HE2      GLN  16   4.616  -2.532 -11.412
  128    H    GLU  17           H        GLU  17   4.238  -2.185  -8.505
  129    HA   GLU  17           HA       GLU  17   5.196  -3.274  -6.084
  130   1HB   GLU  17          1HB       GLU  17   4.179  -5.388  -6.865
  131   2HB   GLU  17          2HB       GLU  17   3.098  -4.014  -7.040
  132   1HG   GLU  17          1HG       GLU  17   3.932  -3.913  -9.458
  133   2HG   GLU  17          2HG       GLU  17   4.555  -5.536  -9.165
  134    H    LYS  18           H        LYS  18   6.894  -4.625  -5.595
  135    HA   LYS  18           HA       LYS  18   8.766  -5.106  -7.828
  136   1HB   LYS  18          1HB       LYS  18   9.450  -5.024  -4.894
  137   2HB   LYS  18          2HB       LYS  18  10.571  -5.062  -6.247
  138   1HG   LYS  18          1HG       LYS  18   9.931  -2.806  -6.891
  139   2HG   LYS  18          2HG       LYS  18   8.676  -2.782  -5.653
  140   1HD   LYS  18          1HD       LYS  18  11.579  -3.194  -4.975
  141   2HD   LYS  18          2HD       LYS  18  10.867  -1.588  -5.117
  142   1HE   LYS  18          1HE       LYS  18  10.856  -2.234  -2.795
  143   2HE   LYS  18          2HE       LYS  18   9.193  -2.233  -3.383
  144   1HZ   LYS  18          1HZ       LYS  18   9.064  -4.510  -3.296
  145   2HZ   LYS  18          2HZ       LYS  18  10.078  -4.208  -1.968
  146   3HZ   LYS  18          3HZ       LYS  18  10.741  -4.736  -3.432
  147    H    SER  19           H        SER  19   6.800  -6.708  -5.494
  148    HA   SER  19           HA       SER  19   8.003  -9.247  -6.325
  149   1HB   SER  19          1HB       SER  19   8.083 -10.104  -4.095
  150   2HB   SER  19          2HB       SER  19   8.839  -8.505  -4.030
  151    HG   SER  19           HG       SER  19   7.246  -7.780  -2.832
  152    HA   PRO  20           HA       PRO  20   3.892 -10.837  -6.807
  153   1HB   PRO  20          1HB       PRO  20   4.471 -13.017  -4.875
  154   2HB   PRO  20          2HB       PRO  20   3.970 -13.123  -6.570
  155   1HG   PRO  20          1HG       PRO  20   6.462 -13.683  -5.910
  156   2HG   PRO  20          2HG       PRO  20   6.142 -12.687  -7.348
  157   1HD   PRO  20          1HD       PRO  20   6.931 -11.814  -4.588
  158   2HD   PRO  20          2HD       PRO  20   7.626 -11.321  -6.152
  159    H    ALA  21           H        ALA  21   4.946  -9.946  -3.700
  160    HA   ALA  21           HA       ALA  21   2.210 -10.131  -2.641
  161   1HB   ALA  21          1HB       ALA  21   3.665 -11.399  -1.245
  162   2HB   ALA  21          2HB       ALA  21   3.276  -9.907  -0.386
  163   3HB   ALA  21          3HB       ALA  21   4.844 -10.088  -1.182
  164    H    GLU  22           H        GLU  22   3.406  -8.141  -4.409
  165    HA   GLU  22           HA       GLU  22   2.933  -5.770  -2.738
  166   1HB   GLU  22          1HB       GLU  22   5.226  -6.392  -4.496
  167   2HB   GLU  22          2HB       GLU  22   4.546  -4.784  -4.690
  168   1HG   GLU  22          1HG       GLU  22   5.303  -4.079  -2.699
  169   2HG   GLU  22          2HG       GLU  22   5.042  -5.636  -1.912
  170    H    VAL  23           H        VAL  23   1.852  -4.051  -3.774
  171    HA   VAL  23           HA       VAL  23   0.774  -4.708  -6.428
  172    HB   VAL  23           HB       VAL  23  -1.337  -3.437  -5.641
  173   1HG1  VAL  23          1HG1      VAL  23  -2.316  -5.545  -4.747
  174   2HG1  VAL  23          2HG1      VAL  23  -0.694  -6.237  -4.776
  175   3HG1  VAL  23          3HG1      VAL  23  -1.458  -5.714  -6.279
  176   1HG2  VAL  23          1HG2      VAL  23   0.112  -3.719  -3.129
  177   2HG2  VAL  23          2HG2      VAL  23  -1.542  -4.322  -3.064
  178   3HG2  VAL  23          3HG2      VAL  23  -1.230  -2.659  -3.557
  179    H    THR  24           H        THR  24   0.439  -3.035  -7.821
  180    HA   THR  24           HA       THR  24   2.084  -0.719  -7.322
  181    HB   THR  24           HB       THR  24   0.525  -1.565  -9.764
  182    HG1  THR  24           HG1      THR  24   2.190  -2.965  -9.521
  183   1HG2  THR  24          1HG2      THR  24   0.820   0.822  -9.833
  184   2HG2  THR  24          2HG2      THR  24   1.947   0.073 -10.963
  185   3HG2  THR  24          3HG2      THR  24   2.521   0.660  -9.401
  186    H    MET  25           H        MET  25   1.448   1.359  -7.167
  187    HA   MET  25           HA       MET  25  -1.412   1.990  -7.268
  188   1HB   MET  25          1HB       MET  25  -1.312   3.210  -5.160
  189   2HB   MET  25          2HB       MET  25  -0.825   1.533  -4.899
  190   1HG   MET  25          1HG       MET  25   1.438   2.112  -4.656
  191   2HG   MET  25          2HG       MET  25   1.188   3.715  -5.364
  192   1HE   MET  25          1HE       MET  25  -1.439   2.332  -2.914
  193   2HE   MET  25          2HE       MET  25  -0.799   2.754  -1.326
  194   3HE   MET  25          3HE       MET  25  -0.029   1.484  -2.275
  195    H    LYS  26           H        LYS  26  -1.696   4.460  -7.142
  196    HA   LYS  26           HA       LYS  26   0.587   5.854  -8.355
  197   1HB   LYS  26          1HB       LYS  26  -2.128   5.495  -9.566
  198   2HB   LYS  26          2HB       LYS  26  -1.341   7.053  -9.755
  199   1HG   LYS  26          1HG       LYS  26  -0.725   5.912 -11.660
  200   2HG   LYS  26          2HG       LYS  26   0.669   5.700 -10.602
  201   1HD   LYS  26          1HD       LYS  26  -0.588   3.515  -9.889
  202   2HD   LYS  26          2HD       LYS  26  -1.395   3.721 -11.447
  203   1HE   LYS  26          1HE       LYS  26   0.530   2.288 -11.713
  204   2HE   LYS  26          2HE       LYS  26   0.811   3.819 -12.541
  205   1HZ   LYS  26          1HZ       LYS  26   1.860   3.089  -9.860
  206   2HZ   LYS  26          2HZ       LYS  26   2.124   4.564 -10.651
  207   3HZ   LYS  26          3HZ       LYS  26   2.759   3.130 -11.295
  208    H    LYS  27           H        LYS  27   0.592   8.109  -8.063
  209    HA   LYS  27           HA       LYS  27  -0.349   8.990  -5.570
  210   1HB   LYS  27          1HB       LYS  27   1.411  10.312  -6.250
  211   2HB   LYS  27          2HB       LYS  27   0.927  10.280  -7.938
  212   1HG   LYS  27          1HG       LYS  27   0.199  12.349  -7.695
  213   2HG   LYS  27          2HG       LYS  27  -1.071  11.724  -6.643
  214   1HD   LYS  27          1HD       LYS  27   0.033  13.449  -5.447
  215   2HD   LYS  27          2HD       LYS  27   0.564  11.920  -4.740
  216   1HE   LYS  27          1HE       LYS  27   2.554  12.069  -6.318
  217   2HE   LYS  27          2HE       LYS  27   2.067  13.738  -6.605
  218   1HZ   LYS  27          1HZ       LYS  27   2.436  14.286  -4.357
  219   2HZ   LYS  27          2HZ       LYS  27   3.788  13.383  -4.840
  220   3HZ   LYS  27          3HZ       LYS  27   2.583  12.662  -3.892
  221    H    GLY  28           H        GLY  28  -2.245   9.770  -4.917
  222   1HA   GLY  28          1HA       GLY  28  -4.227  11.121  -5.182
  223   2HA   GLY  28          2HA       GLY  28  -4.077  10.914  -6.926
  224    H    ASP  29           H        ASP  29  -3.498   7.947  -5.824
  225    HA   ASP  29           HA       ASP  29  -6.199   7.077  -6.417
  226   1HB   ASP  29          1HB       ASP  29  -3.535   5.885  -6.524
  227   2HB   ASP  29          2HB       ASP  29  -4.730   4.810  -5.790
  228    H    ILE  30           H        ILE  30  -7.473   5.853  -5.064
  229    HA   ILE  30           HA       ILE  30  -6.802   6.122  -2.219
  230    HB   ILE  30           HB       ILE  30  -9.435   5.915  -3.672
  231   1HG1  ILE  30          1HG1      ILE  30 -10.018   7.885  -2.339
  232   2HG1  ILE  30          2HG1      ILE  30  -8.480   7.797  -1.495
  233   1HG2  ILE  30          1HG2      ILE  30  -9.183   5.650  -0.691
  234   2HG2  ILE  30          2HG2      ILE  30  -9.336   4.262  -1.767
  235   3HG2  ILE  30          3HG2      ILE  30 -10.629   5.462  -1.683
  236   1HD1  ILE  30          1HD1      ILE  30  -7.322   8.262  -3.625
  237   2HD1  ILE  30          2HD1      ILE  30  -8.437   9.547  -3.154
  238   3HD1  ILE  30          3HD1      ILE  30  -8.894   8.404  -4.415
  239    H    LEU  31           H        LEU  31  -6.131   4.410  -1.212
  240    HA   LEU  31           HA       LEU  31  -6.576   1.762  -2.397
  241   1HB   LEU  31          1HB       LEU  31  -4.431   2.981  -0.725
  242   2HB   LEU  31          2HB       LEU  31  -4.722   1.264  -0.556
  243    HG   LEU  31           HG       LEU  31  -2.873   1.935  -2.133
  244   1HD1  LEU  31          1HD1      LEU  31  -3.901  -0.288  -2.169
  245   2HD1  LEU  31          2HD1      LEU  31  -3.366   0.242  -3.762
  246   3HD1  LEU  31          3HD1      LEU  31  -5.078   0.294  -3.351
  247   1HD2  LEU  31          1HD2      LEU  31  -5.200   2.884  -3.783
  248   2HD2  LEU  31          2HD2      LEU  31  -3.595   2.558  -4.436
  249   3HD2  LEU  31          3HD2      LEU  31  -3.815   3.826  -3.230
  250    H    THR  32           H        THR  32  -7.034  -0.017  -0.966
  251    HA   THR  32           HA       THR  32  -8.613   0.800   1.367
  252    HB   THR  32           HB       THR  32  -8.688  -1.885  -0.014
  253    HG1  THR  32           HG1      THR  32  -9.399  -0.580  -1.605
  254   1HG2  THR  32          1HG2      THR  32 -10.959  -1.942   1.019
  255   2HG2  THR  32          2HG2      THR  32 -10.560  -0.435   1.851
  256   3HG2  THR  32          3HG2      THR  32  -9.633  -1.903   2.186
  257    H    LEU  33           H        LEU  33  -7.875   0.254   3.373
  258    HA   LEU  33           HA       LEU  33  -5.367  -1.162   3.546
  259   1HB   LEU  33          1HB       LEU  33  -6.941   0.549   5.292
  260   2HB   LEU  33          2HB       LEU  33  -6.264  -0.829   6.138
  261    HG   LEU  33           HG       LEU  33  -4.738   1.253   4.579
  262   1HD1  LEU  33          1HD1      LEU  33  -3.776   1.781   6.766
  263   2HD1  LEU  33          2HD1      LEU  33  -4.853   0.607   7.519
  264   3HD1  LEU  33          3HD1      LEU  33  -5.522   2.032   6.721
  265   1HD2  LEU  33          1HD2      LEU  33  -3.745  -1.205   6.018
  266   2HD2  LEU  33          2HD2      LEU  33  -2.721   0.111   5.437
  267   3HD2  LEU  33          3HD2      LEU  33  -3.633  -0.870   4.289
  268    H    LEU  34           H        LEU  34  -4.991  -3.125   4.210
  269    HA   LEU  34           HA       LEU  34  -7.279  -4.806   4.989
  270   1HB   LEU  34          1HB       LEU  34  -4.733  -5.775   3.710
  271   2HB   LEU  34          2HB       LEU  34  -6.245  -6.635   3.879
  272    HG   LEU  34           HG       LEU  34  -5.757  -4.275   2.070
  273   1HD1  LEU  34          1HD1      LEU  34  -6.029  -5.888   0.266
  274   2HD1  LEU  34          2HD1      LEU  34  -6.191  -7.192   1.448
  275   3HD1  LEU  34          3HD1      LEU  34  -4.668  -6.313   1.305
  276   1HD2  LEU  34          1HD2      LEU  34  -8.011  -4.087   2.624
  277   2HD2  LEU  34          2HD2      LEU  34  -8.226  -5.836   2.739
  278   3HD2  LEU  34          3HD2      LEU  34  -8.039  -5.074   1.160
  279    H    ASN  35           H        ASN  35  -3.840  -4.151   5.450
  280    HA   ASN  35           HA       ASN  35  -4.031  -4.913   8.235
  281   1HB   ASN  35          1HB       ASN  35  -3.462  -7.053   7.109
  282   2HB   ASN  35          2HB       ASN  35  -2.033  -6.289   6.418
  283   1HD2  ASN  35          1HD2      ASN  35  -3.434  -7.744   9.181
  284   2HD2  ASN  35          2HD2      ASN  35  -2.030  -7.694  10.196
  285    H    SER  36           H        SER  36  -2.643  -3.725   9.471
  286    HA   SER  36           HA       SER  36  -0.487  -2.262   8.130
  287   1HB   SER  36          1HB       SER  36  -1.312  -0.266   9.629
  288   2HB   SER  36          2HB       SER  36  -2.104  -0.584   8.074
  289    HG   SER  36           HG       SER  36  -3.456  -0.303  10.089
  290    H    THR  37           H        THR  37  -0.318  -4.539   9.841
  291    HA   THR  37           HA       THR  37   0.318  -3.651  12.496
  292    HB   THR  37           HB       THR  37  -0.511  -5.975  11.851
  293    HG1  THR  37           HG1      THR  37   0.409  -5.275  13.936
  294   1HG2  THR  37          1HG2      THR  37   1.085  -6.501  10.097
  295   2HG2  THR  37          2HG2      THR  37   1.268  -7.642  11.429
  296   3HG2  THR  37          3HG2      THR  37   2.424  -6.326  11.230
  297    H    ASN  38           H        ASN  38   1.889  -3.440   9.596
  298    HA   ASN  38           HA       ASN  38   4.579  -3.505  10.778
  299   1HB   ASN  38          1HB       ASN  38   4.063  -4.870   8.721
  300   2HB   ASN  38          2HB       ASN  38   3.776  -3.371   7.865
  301   1HD2  ASN  38          1HD2      ASN  38   5.736  -5.488   7.367
  302   2HD2  ASN  38          2HD2      ASN  38   7.287  -4.718   7.399
  303    H    LYS  39           H        LYS  39   5.898  -1.638  10.574
  304    HA   LYS  39           HA       LYS  39   4.321   0.808  10.312
  305   1HB   LYS  39          1HB       LYS  39   6.207   1.956  11.385
  306   2HB   LYS  39          2HB       LYS  39   5.563   0.651  12.363
  307   1HG   LYS  39          1HG       LYS  39   7.537  -0.390  12.425
  308   2HG   LYS  39          2HG       LYS  39   7.801  -0.188  10.696
  309   1HD   LYS  39          1HD       LYS  39   8.451   2.167  11.123
  310   2HD   LYS  39          2HD       LYS  39   8.329   1.839  12.853
  311   1HE   LYS  39          1HE       LYS  39  10.106   0.286  12.782
  312   2HE   LYS  39          2HE       LYS  39  10.081   0.225  11.019
  313   1HZ   LYS  39          1HZ       LYS  39  11.920   1.563  11.963
  314   2HZ   LYS  39          2HZ       LYS  39  10.777   2.648  12.586
  315   3HZ   LYS  39          3HZ       LYS  39  10.921   2.437  10.907
  316    H    ASP  40           H        ASP  40   6.277  -0.967   8.300
  317    HA   ASP  40           HA       ASP  40   7.037   1.478   6.834
  318   1HB   ASP  40          1HB       ASP  40   8.495  -1.132   7.127
  319   2HB   ASP  40          2HB       ASP  40   8.810  -0.048   5.769
  320    H    TRP  41           H        TRP  41   5.454  -1.573   6.661
  321    HA   TRP  41           HA       TRP  41   4.729  -1.034   3.874
  322   1HB   TRP  41          1HB       TRP  41   5.505  -3.712   5.058
  323   2HB   TRP  41          2HB       TRP  41   4.766  -3.503   3.483
  324    HD1  TRP  41           HD1      TRP  41   8.063  -3.017   5.330
  325    HE1  TRP  41           HE1      TRP  41   9.933  -2.646   3.598
  326    HE3  TRP  41           HE3      TRP  41   5.198  -2.576   1.109
  327    HZ2  TRP  41           HZ2      TRP  41  10.154  -2.210   0.823
  328    HZ3  TRP  41           HZ3      TRP  41   6.323  -2.181  -1.037
  329    HH2  TRP  41           HH2      TRP  41   8.751  -1.998  -1.178
  330    H    TRP  42           H        TRP  42   2.585  -1.192   3.462
  331    HA   TRP  42           HA       TRP  42   0.907  -2.402   5.565
  332   1HB   TRP  42          1HB       TRP  42   0.527   0.145   4.007
  333   2HB   TRP  42          2HB       TRP  42  -0.860  -0.716   4.676
  334    HD1  TRP  42           HD1      TRP  42   1.781  -1.229   7.085
  335    HE1  TRP  42           HE1      TRP  42   1.669   0.450   9.019
  336    HE3  TRP  42           HE3      TRP  42  -1.410   2.154   5.022
  337    HZ2  TRP  42           HZ2      TRP  42   0.403   2.910   9.574
  338    HZ3  TRP  42           HZ3      TRP  42  -2.028   4.168   6.316
  339    HH2  TRP  42           HH2      TRP  42  -1.131   4.520   8.550
  340    H    LYS  43           H        LYS  43  -0.671  -3.773   4.942
  341    HA   LYS  43           HA       LYS  43  -0.615  -4.729   2.204
  342   1HB   LYS  43          1HB       LYS  43  -0.756  -6.249   4.226
  343   2HB   LYS  43          2HB       LYS  43  -2.379  -5.635   4.490
  344   1HG   LYS  43          1HG       LYS  43  -2.956  -6.446   2.163
  345   2HG   LYS  43          2HG       LYS  43  -1.414  -7.315   2.170
  346   1HD   LYS  43          1HD       LYS  43  -2.211  -8.288   4.411
  347   2HD   LYS  43          2HD       LYS  43  -3.802  -7.676   3.972
  348   1HE   LYS  43          1HE       LYS  43  -2.162  -9.742   2.503
  349   2HE   LYS  43          2HE       LYS  43  -3.671  -9.987   3.384
  350   1HZ   LYS  43          1HZ       LYS  43  -3.295  -8.557   0.826
  351   2HZ   LYS  43          2HZ       LYS  43  -4.721  -8.454   1.738
  352   3HZ   LYS  43          3HZ       LYS  43  -4.211  -9.947   1.124
  353    H    VAL  44           H        VAL  44  -1.879  -3.825   0.688
  354    HA   VAL  44           HA       VAL  44  -4.484  -2.763   1.546
  355    HB   VAL  44           HB       VAL  44  -4.220  -0.957  -0.179
  356   1HG1  VAL  44          1HG1      VAL  44  -2.240  -0.953   2.096
  357   2HG1  VAL  44          2HG1      VAL  44  -3.935  -0.473   2.184
  358   3HG1  VAL  44          3HG1      VAL  44  -2.799   0.475   1.224
  359   1HG2  VAL  44          1HG2      VAL  44  -1.939  -0.391  -0.905
  360   2HG2  VAL  44          2HG2      VAL  44  -2.459  -1.967  -1.508
  361   3HG2  VAL  44          3HG2      VAL  44  -1.346  -1.868  -0.143
  362    H    GLU  45           H        GLU  45  -5.903  -2.310  -0.359
  363    HA   GLU  45           HA       GLU  45  -5.626  -4.380  -2.434
  364   1HB   GLU  45          1HB       GLU  45  -7.269  -4.887  -0.573
  365   2HB   GLU  45          2HB       GLU  45  -8.202  -3.506  -1.128
  366   1HG   GLU  45          1HG       GLU  45  -8.759  -4.546  -3.145
  367   2HG   GLU  45          2HG       GLU  45  -7.506  -5.773  -2.954
  368    H    VAL  46           H        VAL  46  -5.776  -3.630  -4.452
  369    HA   VAL  46           HA       VAL  46  -7.113  -1.031  -4.917
  370    HB   VAL  46           HB       VAL  46  -5.466  -1.563  -7.126
  371   1HG1  VAL  46          1HG1      VAL  46  -4.601   0.560  -6.766
  372   2HG1  VAL  46          2HG1      VAL  46  -4.816   0.453  -5.020
  373   3HG1  VAL  46          3HG1      VAL  46  -6.224   0.609  -6.075
  374   1HG2  VAL  46          1HG2      VAL  46  -4.046  -2.051  -4.548
  375   2HG2  VAL  46          2HG2      VAL  46  -3.206  -1.448  -5.978
  376   3HG2  VAL  46          3HG2      VAL  46  -4.036  -3.008  -6.030
  377    H    ASN  47           H        ASN  47  -8.916  -1.389  -5.926
  378    HA   ASN  47           HA       ASN  47 -10.520  -2.069  -7.296
  379   1HB   ASN  47          1HB       ASN  47  -9.984  -2.616  -9.569
  380   2HB   ASN  47          2HB       ASN  47  -8.995  -1.303  -9.030
  381   1HD2  ASN  47          1HD2      ASN  47  -6.780  -1.501  -9.165
  382   2HD2  ASN  47          2HD2      ASN  47  -5.996  -2.913  -9.792
  383    H    ASP  48           H        ASP  48  -8.061  -4.516  -7.426
  384    HA   ASP  48           HA       ASP  48  -9.799  -6.547  -6.340
  385   1HB   ASP  48          1HB       ASP  48 -10.441  -6.418  -8.787
  386   2HB   ASP  48          2HB       ASP  48  -8.812  -6.971  -9.164
  387    H    ARG  49           H        ARG  49  -6.788  -5.282  -7.030
  388    HA   ARG  49           HA       ARG  49  -5.373  -7.810  -6.635
  389   1HB   ARG  49          1HB       ARG  49  -4.325  -5.060  -7.333
  390   2HB   ARG  49          2HB       ARG  49  -3.330  -6.495  -7.138
  391   1HG   ARG  49          1HG       ARG  49  -5.485  -6.137  -9.219
  392   2HG   ARG  49          2HG       ARG  49  -3.755  -5.956  -9.488
  393   1HD   ARG  49          1HD       ARG  49  -4.064  -8.108 -10.204
  394   2HD   ARG  49          2HD       ARG  49  -3.648  -8.388  -8.518
  395    HE   ARG  49           HE       ARG  49  -6.481  -8.160  -9.005
  396   1HH1  ARG  49          1HH1      ARG  49  -3.735 -10.324  -8.875
  397   2HH1  ARG  49          2HH1      ARG  49  -4.706 -11.758  -8.711
  398   1HH2  ARG  49          1HH2      ARG  49  -7.774 -10.027  -8.746
  399   2HH2  ARG  49          2HH2      ARG  49  -7.000 -11.586  -8.595
  400    H    GLN  50           H        GLN  50  -4.486  -8.345  -4.787
  401    HA   GLN  50           HA       GLN  50  -4.420  -6.330  -2.645
  402   1HB   GLN  50          1HB       GLN  50  -4.762  -9.324  -2.581
  403   2HB   GLN  50          2HB       GLN  50  -4.342  -8.400  -1.146
  404   1HG   GLN  50          1HG       GLN  50  -6.418  -7.046  -1.530
  405   2HG   GLN  50          2HG       GLN  50  -6.849  -8.211  -2.785
  406   1HE2  GLN  50          1HE2      GLN  50  -8.771  -8.453  -1.308
  407   2HE2  GLN  50          2HE2      GLN  50  -8.632  -9.617  -0.028
  408    H    GLY  51           H        GLY  51  -2.580  -6.047  -1.472
  409   1HA   GLY  51          1HA       GLY  51  -0.430  -7.661  -1.281
  410   2HA   GLY  51          2HA       GLY  51  -0.068  -6.801  -2.702
  411    H    PHE  52           H        PHE  52   1.778  -6.246  -1.209
  412    HA   PHE  52           HA       PHE  52   1.077  -4.285   0.827
  413   1HB   PHE  52          1HB       PHE  52   3.558  -5.869   0.237
  414   2HB   PHE  52          2HB       PHE  52   3.545  -4.541   1.393
  415    HD1  PHE  52           HD1      PHE  52   3.075  -4.987   3.596
  416    HD2  PHE  52           HD2      PHE  52   1.683  -7.674   0.584
  417    HE1  PHE  52           HE1      PHE  52   2.263  -6.511   5.345
  418    HE2  PHE  52           HE2      PHE  52   0.867  -9.202   2.337
  419    HZ   PHE  52           HZ       PHE  52   1.154  -8.624   4.717
  420    H    VAL  53           H        VAL  53   1.934  -2.298   0.981
  421    HA   VAL  53           HA       VAL  53   3.610  -1.230  -1.168
  422    HB   VAL  53           HB       VAL  53   2.250   0.771  -1.380
  423   1HG1  VAL  53          1HG1      VAL  53   0.260  -0.159  -2.475
  424   2HG1  VAL  53          2HG1      VAL  53   0.605  -1.720  -1.729
  425   3HG1  VAL  53          3HG1      VAL  53   1.731  -1.035  -2.901
  426   1HG2  VAL  53          1HG2      VAL  53   0.408  -0.548   0.609
  427   2HG2  VAL  53          2HG2      VAL  53   0.001   0.891  -0.327
  428   3HG2  VAL  53          3HG2      VAL  53   1.330   0.938   0.834
  429    HA   PRO  54           HA       PRO  54   5.773   0.873   2.082
  430   1HB   PRO  54          1HB       PRO  54   5.405   3.386   0.526
  431   2HB   PRO  54          2HB       PRO  54   6.900   2.659   1.136
  432   1HG   PRO  54          1HG       PRO  54   6.311   2.528  -1.442
  433   2HG   PRO  54          2HG       PRO  54   7.000   1.116  -0.616
  434   1HD   PRO  54          1HD       PRO  54   4.160   1.651  -1.411
  435   2HD   PRO  54          2HD       PRO  54   5.090   0.140  -1.500
  436    H    ALA  55           H        ALA  55   4.926   1.448   3.984
  437    HA   ALA  55           HA       ALA  55   2.330   2.528   4.294
  438   1HB   ALA  55          1HB       ALA  55   3.037   2.854   6.670
  439   2HB   ALA  55          2HB       ALA  55   4.638   2.286   6.200
  440   3HB   ALA  55          3HB       ALA  55   3.243   1.213   6.049
  441    H    ALA  56           H        ALA  56   5.441   3.937   3.836
  442    HA   ALA  56           HA       ALA  56   4.731   6.557   4.791
  443   1HB   ALA  56          1HB       ALA  56   7.091   5.846   3.059
  444   2HB   ALA  56          2HB       ALA  56   7.064   5.580   4.804
  445   3HB   ALA  56          3HB       ALA  56   6.919   7.216   4.159
  446    H    TYR  57           H        TYR  57   3.909   4.818   2.128
  447    HA   TYR  57           HA       TYR  57   3.812   7.167   0.331
  448   1HB   TYR  57          1HB       TYR  57   3.794   4.201  -0.176
  449   2HB   TYR  57          2HB       TYR  57   3.117   5.313  -1.366
  450    HD1  TYR  57           HD1      TYR  57   4.552   5.402  -3.163
  451    HD2  TYR  57           HD2      TYR  57   6.178   5.523   0.768
  452    HE1  TYR  57           HE1      TYR  57   6.793   5.755  -4.108
  453    HE2  TYR  57           HE2      TYR  57   8.411   5.900  -0.158
  454    HH   TYR  57           HH       TYR  57   9.654   5.687  -2.077
  455    H    VAL  58           H        VAL  58   2.010   5.772   2.583
  456    HA   VAL  58           HA       VAL  58  -0.477   6.455   1.229
  457    HB   VAL  58           HB       VAL  58   0.371   3.825   1.902
  458   1HG1  VAL  58          1HG1      VAL  58  -2.030   4.762   3.431
  459   2HG1  VAL  58          2HG1      VAL  58  -0.546   4.055   4.072
  460   3HG1  VAL  58          3HG1      VAL  58  -1.653   3.069   3.114
  461   1HG2  VAL  58          1HG2      VAL  58  -0.795   4.453  -0.131
  462   2HG2  VAL  58          2HG2      VAL  58  -2.242   4.832   0.806
  463   3HG2  VAL  58          3HG2      VAL  58  -1.652   3.169   0.724
  464    H    LYS  59           H        LYS  59  -2.106   7.225   2.625
  465    HA   LYS  59           HA       LYS  59  -1.368   7.509   5.446
  466   1HB   LYS  59          1HB       LYS  59  -0.859   9.698   5.107
  467   2HB   LYS  59          2HB       LYS  59  -1.467   9.636   3.460
  468   1HG   LYS  59          1HG       LYS  59  -3.562   9.712   5.499
  469   2HG   LYS  59          2HG       LYS  59  -2.514  11.134   5.466
  470   1HD   LYS  59          1HD       LYS  59  -3.011  11.537   3.167
  471   2HD   LYS  59          2HD       LYS  59  -3.824   9.979   3.011
  472   1HE   LYS  59          1HE       LYS  59  -5.494  11.678   3.155
  473   2HE   LYS  59          2HE       LYS  59  -5.506  10.764   4.664
  474   1HZ   LYS  59          1HZ       LYS  59  -4.055  12.572   5.589
  475   2HZ   LYS  59          2HZ       LYS  59  -5.648  13.033   5.233
  476   3HZ   LYS  59          3HZ       LYS  59  -4.386  13.469   4.188
  477    H    LYS  60           H        LYS  60  -2.981   7.372   6.844
  478    HA   LYS  60           HA       LYS  60  -5.402   6.160   6.245
  479   1HB   LYS  60          1HB       LYS  60  -4.283   7.516   8.621
  480   2HB   LYS  60          2HB       LYS  60  -6.026   7.583   8.517
  481   1HG   LYS  60          1HG       LYS  60  -5.252   5.750   9.909
  482   2HG   LYS  60          2HG       LYS  60  -6.171   5.175   8.525
  483   1HD   LYS  60          1HD       LYS  60  -4.362   4.234   7.557
  484   2HD   LYS  60          2HD       LYS  60  -3.232   5.378   8.250
  485   1HE   LYS  60          1HE       LYS  60  -3.070   3.024   9.178
  486   2HE   LYS  60          2HE       LYS  60  -3.330   4.259  10.378
  487   1HZ   LYS  60          1HZ       LYS  60  -5.620   2.801   9.250
  488   2HZ   LYS  60          2HZ       LYS  60  -5.494   3.623  10.729
  489   3HZ   LYS  60          3HZ       LYS  60  -4.703   2.143  10.512
  490    H    LEU  61           H        LEU  61  -7.125   6.845   5.186
  491    HA   LEU  61           HA       LEU  61  -7.689   9.698   4.965
  492   1HB   LEU  61          1HB       LEU  61  -8.909   7.234   3.754
  493   2HB   LEU  61          2HB       LEU  61  -9.710   8.786   3.640
  494    HG   LEU  61           HG       LEU  61  -6.909   8.336   2.635
  495   1HD1  LEU  61          1HD1      LEU  61  -9.421   8.272   0.986
  496   2HD1  LEU  61          2HD1      LEU  61  -8.632   6.818   1.599
  497   3HD1  LEU  61          3HD1      LEU  61  -7.772   7.884   0.487
  498   1HD2  LEU  61          1HD2      LEU  61  -8.959  10.507   2.385
  499   2HD2  LEU  61          2HD2      LEU  61  -7.728  10.285   1.142
  500   3HD2  LEU  61          3HD2      LEU  61  -7.249  10.631   2.802
  501    H    ASP  62           H        ASP  62  -8.479   7.122   6.926
  502    HA   ASP  62           HA       ASP  62 -11.028   8.226   7.814
  503   1HB   ASP  62          1HB       ASP  62 -10.884   5.774   7.367
  504   2HB   ASP  62          2HB       ASP  62  -9.664   5.645   8.632
  505   1H    ACE   0          1H        ACE   0   3.671 -11.942   3.441
  506   2H    ACE   0          2H        ACE   0   4.901 -12.075   2.187
  507   3H    ACE   0          3H        ACE   0   3.330 -11.393   1.772
  508    H    ALA   1           H        ALA   1   4.495 -10.542   4.850
  509    HA   ALA   1           HA       ALA   1   4.719  -7.785   4.046
  510   1HB   ALA   1          1HB       ALA   1   5.112  -9.131   6.718
  511   2HB   ALA   1          2HB       ALA   1   3.661  -8.306   6.145
  512   3HB   ALA   1          3HB       ALA   1   5.133  -7.386   6.453
  513    HA   PRO   2           HA       PRO   2   9.082  -8.176   3.091
  514   1HB   PRO   2          1HB       PRO   2   8.880  -5.227   2.947
  515   2HB   PRO   2          2HB       PRO   2   9.429  -6.377   1.725
  516   1HG   PRO   2          1HG       PRO   2   7.075  -5.141   1.494
  517   2HG   PRO   2          2HG       PRO   2   7.282  -6.831   0.994
  518   1HD   PRO   2          1HD       PRO   2   6.038  -5.730   3.484
  519   2HD   PRO   2          2HD       PRO   2   5.509  -7.086   2.466
  520    H    SER   3           H        SER   3  10.696  -8.296   4.497
  521    HA   SER   3           HA       SER   3  10.529  -6.750   6.978
  522   1HB   SER   3          1HB       SER   3  12.354  -9.063   6.292
  523   2HB   SER   3          2HB       SER   3  12.081  -8.368   7.891
  524    HG   SER   3           HG       SER   3   9.745  -8.927   7.348
  525    H    TYR   4           H        TYR   4  11.167  -4.997   5.205
  526    HA   TYR   4           HA       TYR   4  13.847  -4.244   5.858
  527   1HB   TYR   4          1HB       TYR   4  14.624  -3.970   3.510
  528   2HB   TYR   4          2HB       TYR   4  14.413  -5.651   3.976
  529    HD1  TYR   4           HD1      TYR   4  12.957  -2.889   1.991
  530    HD2  TYR   4           HD2      TYR   4  12.879  -7.057   2.833
  531    HE1  TYR   4           HE1      TYR   4  11.546  -3.257   0.012
  532    HE2  TYR   4           HE2      TYR   4  11.465  -7.436   0.859
  533    HH   TYR   4           HH       TYR   4   9.981  -6.268  -0.595
  534    H    SER   5           H        SER   5  14.370  -2.060   4.871
  535    HA   SER   5           HA       SER   5  12.066  -0.378   5.241
  536   1HB   SER   5          1HB       SER   5  14.893   0.399   4.484
  537   2HB   SER   5          2HB       SER   5  13.643   1.462   5.131
  538    HG   SER   5           HG       SER   5  13.680  -0.254   6.940
  539    HA   PRO   6           HA       PRO   6  11.030  -0.114   0.930
  540   1HB   PRO   6          1HB       PRO   6   9.158   1.825   1.134
  541   2HB   PRO   6          2HB       PRO   6   8.868   0.171   1.684
  542   1HG   PRO   6          1HG       PRO   6   9.608   2.594   3.275
  543   2HG   PRO   6          2HG       PRO   6   8.417   1.332   3.645
  544   1HD   PRO   6          1HD       PRO   6  10.910   1.393   4.736
  545   2HD   PRO   6          2HD       PRO   6  10.012  -0.110   4.450
  546    HA   PRO   7           HA       PRO   7  13.294   3.201  -0.915
  547   1HB   PRO   7          1HB       PRO   7  11.540   4.095  -2.849
  548   2HB   PRO   7          2HB       PRO   7  12.582   2.680  -3.018
  549   1HG   PRO   7          1HG       PRO   7   9.689   2.826  -2.275
  550   2HG   PRO   7          2HG       PRO   7  10.524   1.667  -3.328
  551   1HD   PRO   7          1HD       PRO   7   9.842   1.028  -0.815
  552   2HD   PRO   7          2HD       PRO   7  11.353   0.444  -1.543
  553    HA   PRO   8           HA       PRO   8  12.046   6.695   1.578
  554   1HB   PRO   8          1HB       PRO   8  13.726   8.457   0.165
  555   2HB   PRO   8          2HB       PRO   8  14.122   7.579   1.644
  556   1HG   PRO   8          1HG       PRO   8  14.775   6.920  -1.184
  557   2HG   PRO   8          2HG       PRO   8  15.714   6.618   0.287
  558   1HD   PRO   8          1HD       PRO   8  14.411   4.649  -0.964
  559   2HD   PRO   8          2HD       PRO   8  14.508   4.706   0.811
  560    HA   PRO   9           HA       PRO   9   8.851   8.375  -1.042
  561   1HB   PRO   9          1HB       PRO   9   8.598  10.326   1.167
  562   2HB   PRO   9          2HB       PRO   9   7.388   9.235   0.488
  563   1HG   PRO   9          1HG       PRO   9   8.462   8.774   2.885
  564   2HG   PRO   9          2HG       PRO   9   8.086   7.442   1.774
  565   1HD   PRO   9          1HD       PRO   9  10.726   8.713   2.389
  566   2HD   PRO   9          2HD       PRO   9  10.328   6.998   2.152
  567    HA   PRO  10           HA       PRO  10  11.209  11.730  -2.844
  568   1HB   PRO  10          1HB       PRO  10   9.490  12.226  -4.887
  569   2HB   PRO  10          2HB       PRO  10  10.615  10.864  -4.890
  570   1HG   PRO  10          1HG       PRO  10   7.700  10.911  -4.218
  571   2HG   PRO  10          2HG       PRO  10   8.609   9.726  -5.170
  572   1HD   PRO  10          1HD       PRO  10   7.915   9.303  -2.586
  573   2HD   PRO  10          2HD       PRO  10   9.402   8.643  -3.297
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1 -19.953  -8.103  -1.141
    2   2H    MET   1          2H        MET   1 -20.558  -6.668  -1.815
    3   3H    MET   1          3H        MET   1 -21.621  -7.792  -1.120
    4    HA   MET   1           HA       MET   1 -21.217  -5.848   0.301
    5   1HB   MET   1          1HB       MET   1 -21.754  -8.244   1.090
    6   2HB   MET   1          2HB       MET   1 -20.059  -8.334   1.546
    7   1HG   MET   1          1HG       MET   1 -20.392  -6.356   2.996
    8   2HG   MET   1          2HG       MET   1 -22.110  -6.404   2.601
    9   1HE   MET   1          1HE       MET   1 -20.703  -6.525   5.547
   10   2HE   MET   1          2HE       MET   1 -21.759  -7.688   6.349
   11   3HE   MET   1          3HE       MET   1 -22.450  -6.433   5.321
   12    H    ASP   2           H        ASP   2 -18.813  -6.056  -1.523
   13    HA   ASP   2           HA       ASP   2 -16.954  -4.836   0.335
   14   1HB   ASP   2          1HB       ASP   2 -16.493  -7.366   0.226
   15   2HB   ASP   2          2HB       ASP   2 -15.884  -7.047  -1.397
   16    H    GLU   3           H        GLU   3 -17.204  -2.921  -0.808
   17    HA   GLU   3           HA       GLU   3 -15.861  -2.876  -3.438
   18   1HB   GLU   3          1HB       GLU   3 -18.452  -2.717  -3.534
   19   2HB   GLU   3          2HB       GLU   3 -18.234  -1.108  -2.841
   20   1HG   GLU   3          1HG       GLU   3 -18.428  -0.863  -5.191
   21   2HG   GLU   3          2HG       GLU   3 -16.744  -0.562  -4.763
   22    H    THR   4           H        THR   4 -14.260  -2.406  -1.601
   23    HA   THR   4           HA       THR   4 -12.869  -1.009  -0.486
   24    HB   THR   4           HB       THR   4 -12.407   1.206  -1.412
   25    HG1  THR   4           HG1      THR   4 -14.927   0.890  -2.523
   26   1HG2  THR   4          1HG2      THR   4 -12.889  -0.853  -3.565
   27   2HG2  THR   4          2HG2      THR   4 -11.458  -0.735  -2.540
   28   3HG2  THR   4          3HG2      THR   4 -11.821   0.546  -3.693
   29    H    GLY   5           H        GLY   5 -15.556  -1.319   0.552
   30   1HA   GLY   5          1HA       GLY   5 -16.095   1.297   1.770
   31   2HA   GLY   5          2HA       GLY   5 -17.152  -0.107   1.833
   32    H    LYS   6           H        LYS   6 -13.709  -0.020   2.579
   33    HA   LYS   6           HA       LYS   6 -14.308  -0.466   5.415
   34   1HB   LYS   6          1HB       LYS   6 -11.914  -1.769   4.160
   35   2HB   LYS   6          2HB       LYS   6 -12.848  -2.241   5.545
   36   1HG   LYS   6          1HG       LYS   6 -13.436  -3.920   4.165
   37   2HG   LYS   6          2HG       LYS   6 -14.688  -2.795   3.674
   38   1HD   LYS   6          1HD       LYS   6 -13.895  -3.274   1.613
   39   2HD   LYS   6          2HD       LYS   6 -12.700  -2.040   2.021
   40   1HE   LYS   6          1HE       LYS   6 -11.025  -3.554   2.288
   41   2HE   LYS   6          2HE       LYS   6 -12.107  -4.802   2.905
   42   1HZ   LYS   6          1HZ       LYS   6 -11.440  -4.134   0.115
   43   2HZ   LYS   6          2HZ       LYS   6 -12.964  -4.801   0.464
   44   3HZ   LYS   6          3HZ       LYS   6 -11.555  -5.646   0.871
   45    H    GLU   7           H        GLU   7 -11.592  -0.617   6.167
   46    HA   GLU   7           HA       GLU   7 -10.931   2.029   6.588
   47   1HB   GLU   7          1HB       GLU   7 -10.009  -0.233   7.585
   48   2HB   GLU   7          2HB       GLU   7  -8.766  -0.024   6.358
   49   1HG   GLU   7          1HG       GLU   7  -8.147   0.859   8.581
   50   2HG   GLU   7          2HG       GLU   7  -8.100   2.063   7.295
   51    H    LEU   8           H        LEU   8 -10.300   3.573   5.224
   52    HA   LEU   8           HA       LEU   8  -8.930   2.745   2.764
   53   1HB   LEU   8          1HB       LEU   8 -10.699   5.120   3.282
   54   2HB   LEU   8          2HB       LEU   8  -9.781   4.884   1.806
   55    HG   LEU   8           HG       LEU   8 -11.850   2.957   2.819
   56   1HD1  LEU   8          1HD1      LEU   8 -12.112   5.110   0.723
   57   2HD1  LEU   8          2HD1      LEU   8 -12.965   5.026   2.266
   58   3HD1  LEU   8          3HD1      LEU   8 -13.290   3.831   1.013
   59   1HD2  LEU   8          1HD2      LEU   8 -10.472   3.172   0.153
   60   2HD2  LEU   8          2HD2      LEU   8 -11.742   2.021   0.572
   61   3HD2  LEU   8          3HD2      LEU   8 -10.180   1.945   1.385
   62    H    VAL   9           H        VAL   9  -7.401   4.063   1.864
   63    HA   VAL   9           HA       VAL   9  -6.115   6.072   3.571
   64    HB   VAL   9           HB       VAL   9  -3.879   5.034   2.661
   65   1HG1  VAL   9          1HG1      VAL   9  -3.860   3.502   4.717
   66   2HG1  VAL   9          2HG1      VAL   9  -5.480   4.133   5.023
   67   3HG1  VAL   9          3HG1      VAL   9  -4.100   5.232   4.954
   68   1HG2  VAL   9          1HG2      VAL   9  -5.694   2.634   2.711
   69   2HG2  VAL   9          2HG2      VAL   9  -3.935   2.582   2.595
   70   3HG2  VAL   9          3HG2      VAL   9  -4.883   3.310   1.299
   71    H    LEU  10           H        LEU  10  -4.479   7.288   2.333
   72    HA   LEU  10           HA       LEU  10  -5.299   7.590  -0.481
   73   1HB   LEU  10          1HB       LEU  10  -5.913   9.515   0.849
   74   2HB   LEU  10          2HB       LEU  10  -4.298   9.616   1.522
   75    HG   LEU  10           HG       LEU  10  -3.644   9.913  -1.032
   76   1HD1  LEU  10          1HD1      LEU  10  -6.534  10.690  -0.865
   77   2HD1  LEU  10          2HD1      LEU  10  -5.721   9.694  -2.074
   78   3HD1  LEU  10          3HD1      LEU  10  -5.437  11.435  -2.025
   79   1HD2  LEU  10          1HD2      LEU  10  -4.774  12.073   0.747
   80   2HD2  LEU  10          2HD2      LEU  10  -3.766  12.351  -0.674
   81   3HD2  LEU  10          3HD2      LEU  10  -3.108  11.492   0.719
   82    H    ALA  11           H        ALA  11  -3.745   7.458  -2.016
   83    HA   ALA  11           HA       ALA  11  -1.087   6.698  -1.154
   84   1HB   ALA  11          1HB       ALA  11  -2.623   6.596  -3.693
   85   2HB   ALA  11          2HB       ALA  11  -1.599   5.373  -2.936
   86   3HB   ALA  11          3HB       ALA  11  -0.868   6.711  -3.827
   87    H    LEU  12           H        LEU  12   0.344   8.231  -0.682
   88    HA   LEU  12           HA       LEU  12   0.133  10.913  -1.607
   89   1HB   LEU  12          1HB       LEU  12   2.150   9.422   0.042
   90   2HB   LEU  12          2HB       LEU  12   2.438  11.081  -0.475
   91    HG   LEU  12           HG       LEU  12   0.252  11.688   0.615
   92   1HD1  LEU  12          1HD1      LEU  12   0.536   8.980   1.863
   93   2HD1  LEU  12          2HD1      LEU  12  -0.698   9.461   0.697
   94   3HD1  LEU  12          3HD1      LEU  12  -0.648  10.215   2.292
   95   1HD2  LEU  12          1HD2      LEU  12   2.387  12.212   1.676
   96   2HD2  LEU  12          2HD2      LEU  12   2.448  10.592   2.376
   97   3HD2  LEU  12          3HD2      LEU  12   1.201  11.728   2.890
   98    H    TYR  13           H        TYR  13   2.194   8.181  -2.477
   99    HA   TYR  13           HA       TYR  13   3.228   9.806  -4.692
  100   1HB   TYR  13          1HB       TYR  13   5.042   7.816  -3.378
  101   2HB   TYR  13          2HB       TYR  13   5.450   9.243  -4.319
  102    HD1  TYR  13           HD1      TYR  13   5.185  11.520  -3.253
  103    HD2  TYR  13           HD2      TYR  13   4.891   7.903  -1.033
  104    HE1  TYR  13           HE1      TYR  13   5.540  12.777  -1.169
  105    HE2  TYR  13           HE2      TYR  13   5.240   9.151   1.054
  106    HH   TYR  13           HH       TYR  13   5.075  12.558   1.211
  107    H    ASP  14           H        ASP  14   4.245   8.457  -6.380
  108    HA   ASP  14           HA       ASP  14   2.509   6.255  -7.038
  109   1HB   ASP  14          1HB       ASP  14   3.141   7.881  -8.776
  110   2HB   ASP  14          2HB       ASP  14   4.837   7.481  -8.549
  111    H    TYR  15           H        TYR  15   2.985   4.201  -6.821
  112    HA   TYR  15           HA       TYR  15   5.769   3.452  -6.243
  113   1HB   TYR  15          1HB       TYR  15   4.561   3.531  -4.115
  114   2HB   TYR  15          2HB       TYR  15   3.335   2.440  -4.758
  115    HD1  TYR  15           HD1      TYR  15   3.544   0.169  -4.310
  116    HD2  TYR  15           HD2      TYR  15   7.026   2.611  -4.255
  117    HE1  TYR  15           HE1      TYR  15   4.883  -1.762  -3.582
  118    HE2  TYR  15           HE2      TYR  15   8.366   0.694  -3.534
  119    HH   TYR  15           HH       TYR  15   7.168  -2.527  -3.523
  120    H    GLN  16           H        GLN  16   6.455   1.489  -6.986
  121    HA   GLN  16           HA       GLN  16   4.546  -0.022  -8.658
  122   1HB   GLN  16          1HB       GLN  16   6.114   1.111 -10.110
  123   2HB   GLN  16          2HB       GLN  16   7.476   0.577  -9.140
  124   1HG   GLN  16          1HG       GLN  16   7.540  -0.809 -10.994
  125   2HG   GLN  16          2HG       GLN  16   6.758  -1.784  -9.746
  126   1HE2  GLN  16          1HE2      GLN  16   5.929  -3.065 -11.662
  127   2HE2  GLN  16          2HE2      GLN  16   4.507  -2.481 -12.450
  128    H    GLU  17           H        GLU  17   4.400  -2.140  -8.251
  129    HA   GLU  17           HA       GLU  17   5.371  -3.280  -5.902
  130   1HB   GLU  17          1HB       GLU  17   4.587  -5.415  -6.844
  131   2HB   GLU  17          2HB       GLU  17   3.412  -4.125  -7.080
  132   1HG   GLU  17          1HG       GLU  17   4.394  -3.847  -9.395
  133   2HG   GLU  17          2HG       GLU  17   5.244  -5.365  -9.108
  134    H    LYS  18           H        LYS  18   7.140  -4.534  -5.374
  135    HA   LYS  18           HA       LYS  18   9.137  -4.859  -7.532
  136   1HB   LYS  18          1HB       LYS  18   9.630  -4.938  -4.553
  137   2HB   LYS  18          2HB       LYS  18  10.847  -4.947  -5.823
  138   1HG   LYS  18          1HG       LYS  18  10.216  -2.662  -6.457
  139   2HG   LYS  18          2HG       LYS  18   8.959  -2.658  -5.220
  140   1HD   LYS  18          1HD       LYS  18  11.849  -3.147  -4.532
  141   2HD   LYS  18          2HD       LYS  18  11.193  -1.518  -4.671
  142   1HE   LYS  18          1HE       LYS  18  11.170  -2.226  -2.351
  143   2HE   LYS  18          2HE       LYS  18   9.518  -2.062  -2.944
  144   1HZ   LYS  18          1HZ       LYS  18  10.120  -4.113  -1.570
  145   2HZ   LYS  18          2HZ       LYS  18  10.882  -4.682  -2.968
  146   3HZ   LYS  18          3HZ       LYS  18   9.217  -4.344  -2.986
  147    H    SER  19           H        SER  19   7.526  -6.530  -4.868
  148    HA   SER  19           HA       SER  19   8.576  -9.071  -5.915
  149   1HB   SER  19          1HB       SER  19   8.362  -9.989  -3.703
  150   2HB   SER  19          2HB       SER  19   9.192  -8.433  -3.540
  151    HG   SER  19           HG       SER  19   7.475  -7.584  -2.572
  152    HA   PRO  20           HA       PRO  20   4.486 -10.516  -6.889
  153   1HB   PRO  20          1HB       PRO  20   4.919 -12.866  -5.115
  154   2HB   PRO  20          2HB       PRO  20   4.509 -12.820  -6.835
  155   1HG   PRO  20          1HG       PRO  20   6.956 -13.471  -6.103
  156   2HG   PRO  20          2HG       PRO  20   6.722 -12.344  -7.458
  157   1HD   PRO  20          1HD       PRO  20   7.378 -11.734  -4.592
  158   2HD   PRO  20          2HD       PRO  20   8.155 -11.110  -6.067
  159    H    ALA  21           H        ALA  21   5.344  -9.844  -3.677
  160    HA   ALA  21           HA       ALA  21   2.595 -10.209  -2.709
  161   1HB   ALA  21          1HB       ALA  21   3.603  -9.782  -0.454
  162   2HB   ALA  21          2HB       ALA  21   5.189  -9.819  -1.233
  163   3HB   ALA  21          3HB       ALA  21   4.159 -11.252  -1.255
  164    H    GLU  22           H        GLU  22   4.032  -8.020  -4.368
  165    HA   GLU  22           HA       GLU  22   3.133  -5.749  -2.725
  166   1HB   GLU  22          1HB       GLU  22   5.492  -6.072  -4.506
  167   2HB   GLU  22          2HB       GLU  22   4.677  -4.519  -4.539
  168   1HG   GLU  22          1HG       GLU  22   5.392  -3.949  -2.499
  169   2HG   GLU  22          2HG       GLU  22   5.248  -5.586  -1.857
  170    H    VAL  23           H        VAL  23   2.155  -3.971  -3.866
  171    HA   VAL  23           HA       VAL  23   1.030  -4.716  -6.474
  172    HB   VAL  23           HB       VAL  23  -1.070  -3.445  -5.736
  173   1HG1  VAL  23          1HG1      VAL  23  -1.110  -5.801  -6.176
  174   2HG1  VAL  23          2HG1      VAL  23  -2.075  -5.447  -4.743
  175   3HG1  VAL  23          3HG1      VAL  23  -0.463  -6.142  -4.570
  176   1HG2  VAL  23          1HG2      VAL  23   0.367  -3.646  -3.172
  177   2HG2  VAL  23          2HG2      VAL  23  -1.355  -4.002  -3.144
  178   3HG2  VAL  23          3HG2      VAL  23  -0.793  -2.446  -3.740
  179    H    THR  24           H        THR  24   0.412  -2.952  -7.801
  180    HA   THR  24           HA       THR  24   2.134  -0.634  -7.351
  181    HB   THR  24           HB       THR  24   0.685  -1.565  -9.832
  182    HG1  THR  24           HG1      THR  24   2.305  -2.982  -9.568
  183   1HG2  THR  24          1HG2      THR  24   2.679   0.659  -9.408
  184   2HG2  THR  24          2HG2      THR  24   1.021   0.801  -9.990
  185   3HG2  THR  24          3HG2      THR  24   2.241   0.014 -10.991
  186    H    MET  25           H        MET  25   1.394   1.369  -7.017
  187    HA   MET  25           HA       MET  25  -1.432   1.955  -7.486
  188   1HB   MET  25          1HB       MET  25  -1.711   2.975  -5.305
  189   2HB   MET  25          2HB       MET  25  -1.206   1.296  -5.111
  190   1HG   MET  25          1HG       MET  25   1.055   1.996  -4.625
  191   2HG   MET  25          2HG       MET  25   0.617   3.687  -4.902
  192   1HE   MET  25          1HE       MET  25   1.418   4.605  -2.735
  193   2HE   MET  25          2HE       MET  25   2.042   3.075  -2.117
  194   3HE   MET  25          3HE       MET  25   0.963   4.053  -1.124
  195    H    LYS  26           H        LYS  26  -1.874   4.314  -7.347
  196    HA   LYS  26           HA       LYS  26   0.498   5.865  -8.170
  197   1HB   LYS  26          1HB       LYS  26  -2.193   5.750  -9.512
  198   2HB   LYS  26          2HB       LYS  26  -1.259   7.230  -9.562
  199   1HG   LYS  26          1HG       LYS  26  -0.763   6.087 -11.542
  200   2HG   LYS  26          2HG       LYS  26   0.641   5.873 -10.496
  201   1HD   LYS  26          1HD       LYS  26  -0.192   3.646  -9.868
  202   2HD   LYS  26          2HD       LYS  26  -1.563   3.863 -10.959
  203   1HE   LYS  26          1HE       LYS  26   0.204   2.517 -11.988
  204   2HE   LYS  26          2HE       LYS  26  -0.042   4.036 -12.854
  205   1HZ   LYS  26          1HZ       LYS  26   2.252   3.129 -11.306
  206   2HZ   LYS  26          2HZ       LYS  26   1.856   4.766 -11.153
  207   3HZ   LYS  26          3HZ       LYS  26   2.194   4.118 -12.682
  208    H    LYS  27           H        LYS  27   0.470   8.111  -7.744
  209    HA   LYS  27           HA       LYS  27  -0.570   8.787  -5.213
  210   1HB   LYS  27          1HB       LYS  27   1.217  10.154  -5.565
  211   2HB   LYS  27          2HB       LYS  27   1.007  10.161  -7.305
  212   1HG   LYS  27          1HG       LYS  27   0.720  12.378  -6.641
  213   2HG   LYS  27          2HG       LYS  27  -0.910  11.772  -6.931
  214   1HD   LYS  27          1HD       LYS  27  -1.229  11.442  -4.536
  215   2HD   LYS  27          2HD       LYS  27   0.417  11.997  -4.230
  216   1HE   LYS  27          1HE       LYS  27  -0.129  14.188  -5.112
  217   2HE   LYS  27          2HE       LYS  27  -1.758  13.646  -5.507
  218   1HZ   LYS  27          1HZ       LYS  27  -0.622  13.745  -2.765
  219   2HZ   LYS  27          2HZ       LYS  27  -2.215  13.326  -3.182
  220   3HZ   LYS  27          3HZ       LYS  27  -1.660  14.911  -3.430
  221    H    GLY  28           H        GLY  28  -2.458   9.648  -4.595
  222   1HA   GLY  28          1HA       GLY  28  -4.350  11.127  -4.917
  223   2HA   GLY  28          2HA       GLY  28  -4.152  10.923  -6.656
  224    H    ASP  29           H        ASP  29  -3.750   7.941  -5.436
  225    HA   ASP  29           HA       ASP  29  -6.478   7.197  -6.110
  226   1HB   ASP  29          1HB       ASP  29  -4.007   6.026  -6.648
  227   2HB   ASP  29          2HB       ASP  29  -4.717   4.995  -5.403
  228    H    ILE  30           H        ILE  30  -7.734   5.875  -4.769
  229    HA   ILE  30           HA       ILE  30  -7.081   6.197  -1.934
  230    HB   ILE  30           HB       ILE  30  -9.685   5.908  -3.407
  231   1HG1  ILE  30          1HG1      ILE  30 -10.341   7.848  -2.102
  232   2HG1  ILE  30          2HG1      ILE  30  -8.875   7.753  -1.139
  233   1HG2  ILE  30          1HG2      ILE  30  -9.259   5.319  -0.484
  234   2HG2  ILE  30          2HG2      ILE  30  -9.878   4.222  -1.719
  235   3HG2  ILE  30          3HG2      ILE  30 -10.833   5.618  -1.220
  236   1HD1  ILE  30          1HD1      ILE  30  -9.126   8.506  -4.041
  237   2HD1  ILE  30          2HD1      ILE  30  -7.581   8.224  -3.234
  238   3HD1  ILE  30          3HD1      ILE  30  -8.634   9.534  -2.696
  239    H    LEU  31           H        LEU  31  -6.095   4.548  -1.119
  240    HA   LEU  31           HA       LEU  31  -6.484   1.875  -2.209
  241   1HB   LEU  31          1HB       LEU  31  -4.445   3.195  -0.482
  242   2HB   LEU  31          2HB       LEU  31  -4.637   1.462  -0.358
  243    HG   LEU  31           HG       LEU  31  -2.801   2.226  -1.880
  244   1HD1  LEU  31          1HD1      LEU  31  -3.269   0.620  -3.628
  245   2HD1  LEU  31          2HD1      LEU  31  -4.967   0.590  -3.160
  246   3HD1  LEU  31          3HD1      LEU  31  -3.735  -0.007  -2.047
  247   1HD2  LEU  31          1HD2      LEU  31  -5.102   3.168  -3.570
  248   2HD2  LEU  31          2HD2      LEU  31  -3.447   2.975  -4.142
  249   3HD2  LEU  31          3HD2      LEU  31  -3.813   4.155  -2.883
  250    H    THR  32           H        THR  32  -6.992   0.103  -0.875
  251    HA   THR  32           HA       THR  32  -8.553   0.821   1.502
  252    HB   THR  32           HB       THR  32  -8.634  -1.771  -0.051
  253    HG1  THR  32           HG1      THR  32  -9.512   0.616  -0.786
  254   1HG2  THR  32          1HG2      THR  32 -10.488  -0.547   1.993
  255   2HG2  THR  32          2HG2      THR  32  -9.450  -1.954   2.229
  256   3HG2  THR  32          3HG2      THR  32 -10.803  -2.034   1.101
  257    H    LEU  33           H        LEU  33  -7.820   0.237   3.462
  258    HA   LEU  33           HA       LEU  33  -5.308  -1.162   3.637
  259   1HB   LEU  33          1HB       LEU  33  -6.981   0.453   5.413
  260   2HB   LEU  33          2HB       LEU  33  -6.173  -0.875   6.220
  261    HG   LEU  33           HG       LEU  33  -4.841   1.308   4.631
  262   1HD1  LEU  33          1HD1      LEU  33  -3.921   1.992   6.783
  263   2HD1  LEU  33          2HD1      LEU  33  -4.844   0.722   7.586
  264   3HD1  LEU  33          3HD1      LEU  33  -5.684   2.056   6.791
  265   1HD2  LEU  33          1HD2      LEU  33  -2.744   0.309   5.514
  266   2HD2  LEU  33          2HD2      LEU  33  -3.586  -0.718   4.357
  267   3HD2  LEU  33          3HD2      LEU  33  -3.689  -1.067   6.083
  268    H    LEU  34           H        LEU  34  -4.989  -3.207   3.997
  269    HA   LEU  34           HA       LEU  34  -7.266  -4.891   4.790
  270   1HB   LEU  34          1HB       LEU  34  -4.727  -5.766   3.428
  271   2HB   LEU  34          2HB       LEU  34  -6.194  -6.691   3.629
  272    HG   LEU  34           HG       LEU  34  -5.900  -4.252   1.881
  273   1HD1  LEU  34          1HD1      LEU  34  -6.552  -6.849   0.696
  274   2HD1  LEU  34          2HD1      LEU  34  -4.934  -6.751   1.392
  275   3HD1  LEU  34          3HD1      LEU  34  -5.434  -5.598   0.150
  276   1HD2  LEU  34          1HD2      LEU  34  -8.133  -5.084   1.007
  277   2HD2  LEU  34          2HD2      LEU  34  -8.148  -4.318   2.595
  278   3HD2  LEU  34          3HD2      LEU  34  -8.220  -6.075   2.462
  279    H    ASN  35           H        ASN  35  -3.843  -4.241   5.326
  280    HA   ASN  35           HA       ASN  35  -4.042  -5.177   8.056
  281   1HB   ASN  35          1HB       ASN  35  -3.500  -7.239   6.714
  282   2HB   ASN  35          2HB       ASN  35  -1.986  -6.466   6.248
  283   1HD2  ASN  35          1HD2      ASN  35  -2.410  -8.913   7.736
  284   2HD2  ASN  35          2HD2      ASN  35  -1.655  -8.697   9.283
  285    H    SER  36           H        SER  36  -3.087  -3.627   9.179
  286    HA   SER  36           HA       SER  36  -0.696  -2.344   8.043
  287   1HB   SER  36          1HB       SER  36  -1.541  -0.366   9.547
  288   2HB   SER  36          2HB       SER  36  -2.263  -0.630   7.953
  289    HG   SER  36           HG       SER  36  -3.472  -0.604  10.306
  290    H    THR  37           H        THR  37  -0.719  -4.670   9.733
  291    HA   THR  37           HA       THR  37  -0.149  -3.895  12.415
  292    HB   THR  37           HB       THR  37  -0.934  -6.186  11.581
  293    HG1  THR  37           HG1      THR  37   1.117  -6.685  13.358
  294   1HG2  THR  37          1HG2      THR  37   0.896  -7.842  11.294
  295   2HG2  THR  37          2HG2      THR  37   2.042  -6.506  11.193
  296   3HG2  THR  37          3HG2      THR  37   0.789  -6.689   9.965
  297    H    ASN  38           H        ASN  38   1.553  -3.660   9.565
  298    HA   ASN  38           HA       ASN  38   4.182  -3.626  10.886
  299   1HB   ASN  38          1HB       ASN  38   3.829  -5.024   8.797
  300   2HB   ASN  38          2HB       ASN  38   3.546  -3.529   7.922
  301   1HD2  ASN  38          1HD2      ASN  38   5.575  -5.521   7.442
  302   2HD2  ASN  38          2HD2      ASN  38   7.106  -4.734   7.619
  303    H    LYS  39           H        LYS  39   5.461  -1.696  10.661
  304    HA   LYS  39           HA       LYS  39   3.759   0.649  10.213
  305   1HB   LYS  39          1HB       LYS  39   5.290   1.944  11.519
  306   2HB   LYS  39          2HB       LYS  39   4.838   0.509  12.411
  307   1HG   LYS  39          1HG       LYS  39   7.043   0.491  12.865
  308   2HG   LYS  39          2HG       LYS  39   7.132  -0.361  11.331
  309   1HD   LYS  39          1HD       LYS  39   7.724   1.664  10.172
  310   2HD   LYS  39          2HD       LYS  39   7.442   2.623  11.627
  311   1HE   LYS  39          1HE       LYS  39   9.374   1.902  12.641
  312   2HE   LYS  39          2HE       LYS  39   9.421   0.395  11.728
  313   1HZ   LYS  39          1HZ       LYS  39   9.953   1.775   9.738
  314   2HZ   LYS  39          2HZ       LYS  39  11.156   1.761  10.931
  315   3HZ   LYS  39          3HZ       LYS  39  10.140   3.111  10.770
  316    H    ASP  40           H        ASP  40   6.141  -1.058   8.592
  317    HA   ASP  40           HA       ASP  40   6.966   1.352   7.113
  318   1HB   ASP  40          1HB       ASP  40   8.213  -1.405   7.205
  319   2HB   ASP  40          2HB       ASP  40   8.767  -0.085   6.168
  320    H    TRP  41           H        TRP  41   5.357  -1.702   6.842
  321    HA   TRP  41           HA       TRP  41   4.704  -1.078   4.042
  322   1HB   TRP  41          1HB       TRP  41   5.419  -3.787   5.182
  323   2HB   TRP  41          2HB       TRP  41   4.724  -3.540   3.590
  324    HD1  TRP  41           HD1      TRP  41   7.954  -3.031   5.559
  325    HE1  TRP  41           HE1      TRP  41   9.880  -2.609   3.896
  326    HE3  TRP  41           HE3      TRP  41   5.230  -2.598   1.251
  327    HZ2  TRP  41           HZ2      TRP  41  10.191  -2.136   1.132
  328    HZ3  TRP  41           HZ3      TRP  41   6.415  -2.152  -0.852
  329    HH2  TRP  41           HH2      TRP  41   8.844  -1.926  -0.913
  330    H    TRP  42           H        TRP  42   2.589  -1.173   3.550
  331    HA   TRP  42           HA       TRP  42   0.812  -2.376   5.570
  332   1HB   TRP  42          1HB       TRP  42   0.571   0.204   4.038
  333   2HB   TRP  42          2HB       TRP  42  -0.881  -0.647   4.576
  334    HD1  TRP  42           HD1      TRP  42   1.690  -1.190   7.120
  335    HE1  TRP  42           HE1      TRP  42   1.384   0.408   9.101
  336    HE3  TRP  42           HE3      TRP  42  -1.576   2.090   5.018
  337    HZ2  TRP  42           HZ2      TRP  42  -0.061   2.754   9.691
  338    HZ3  TRP  42           HZ3      TRP  42  -2.400   3.988   6.363
  339    HH2  TRP  42           HH2      TRP  42  -1.643   4.307   8.650
  340    H    LYS  43           H        LYS  43  -0.615  -3.842   4.874
  341    HA   LYS  43           HA       LYS  43  -0.538  -4.645   2.094
  342   1HB   LYS  43          1HB       LYS  43  -0.638  -6.277   4.033
  343   2HB   LYS  43          2HB       LYS  43  -2.284  -5.729   4.312
  344   1HG   LYS  43          1HG       LYS  43  -2.868  -6.441   2.000
  345   2HG   LYS  43          2HG       LYS  43  -1.256  -7.150   1.847
  346   1HD   LYS  43          1HD       LYS  43  -1.815  -8.461   3.957
  347   2HD   LYS  43          2HD       LYS  43  -3.478  -7.922   3.731
  348   1HE   LYS  43          1HE       LYS  43  -1.827  -9.670   1.913
  349   2HE   LYS  43          2HE       LYS  43  -3.317 -10.078   2.773
  350   1HZ   LYS  43          1HZ       LYS  43  -4.553  -8.613   1.371
  351   2HZ   LYS  43          2HZ       LYS  43  -3.656  -9.666   0.389
  352   3HZ   LYS  43          3HZ       LYS  43  -3.144  -8.067   0.602
  353    H    VAL  44           H        VAL  44  -1.781  -3.654   0.660
  354    HA   VAL  44           HA       VAL  44  -4.415  -2.689   1.547
  355    HB   VAL  44           HB       VAL  44  -4.147  -0.800  -0.092
  356   1HG1  VAL  44          1HG1      VAL  44  -2.816   0.590   1.396
  357   2HG1  VAL  44          2HG1      VAL  44  -2.145  -0.847   2.170
  358   3HG1  VAL  44          3HG1      VAL  44  -3.862  -0.480   2.329
  359   1HG2  VAL  44          1HG2      VAL  44  -1.253  -1.653  -0.049
  360   2HG2  VAL  44          2HG2      VAL  44  -1.896  -0.198  -0.808
  361   3HG2  VAL  44          3HG2      VAL  44  -2.348  -1.787  -1.424
  362    H    GLU  45           H        GLU  45  -5.770  -2.107  -0.381
  363    HA   GLU  45           HA       GLU  45  -5.546  -4.173  -2.469
  364   1HB   GLU  45          1HB       GLU  45  -7.337  -4.773  -0.944
  365   2HB   GLU  45          2HB       GLU  45  -7.955  -3.128  -0.961
  366   1HG   GLU  45          1HG       GLU  45  -8.113  -3.747  -3.585
  367   2HG   GLU  45          2HG       GLU  45  -8.394  -5.322  -2.850
  368    H    VAL  46           H        VAL  46  -5.612  -3.469  -4.499
  369    HA   VAL  46           HA       VAL  46  -6.822  -0.850  -5.094
  370    HB   VAL  46           HB       VAL  46  -4.897  -1.254  -7.072
  371   1HG1  VAL  46          1HG1      VAL  46  -4.198   0.911  -6.524
  372   2HG1  VAL  46          2HG1      VAL  46  -4.703   0.735  -4.841
  373   3HG1  VAL  46          3HG1      VAL  46  -5.919   0.827  -6.127
  374   1HG2  VAL  46          1HG2      VAL  46  -3.671  -1.534  -4.348
  375   2HG2  VAL  46          2HG2      VAL  46  -2.787  -1.203  -5.838
  376   3HG2  VAL  46          3HG2      VAL  46  -3.662  -2.723  -5.652
  377    H    ASN  47           H        ASN  47  -8.485  -1.354  -6.239
  378    HA   ASN  47           HA       ASN  47  -9.888  -2.625  -7.487
  379   1HB   ASN  47          1HB       ASN  47  -9.209  -2.512  -9.871
  380   2HB   ASN  47          2HB       ASN  47  -9.446  -1.033  -8.989
  381   1HD2  ASN  47          1HD2      ASN  47  -7.610   0.282  -8.534
  382   2HD2  ASN  47          2HD2      ASN  47  -6.131   0.080  -9.414
  383    H    ASP  48           H        ASP  48 -10.002  -4.360  -6.903
  384    HA   ASP  48           HA       ASP  48  -9.967  -6.643  -6.622
  385   1HB   ASP  48          1HB       ASP  48 -10.495  -6.336  -9.097
  386   2HB   ASP  48          2HB       ASP  48  -8.820  -6.790  -9.398
  387    H    ARG  49           H        ARG  49  -6.976  -5.078  -6.989
  388    HA   ARG  49           HA       ARG  49  -5.473  -7.585  -6.695
  389   1HB   ARG  49          1HB       ARG  49  -4.467  -4.765  -7.144
  390   2HB   ARG  49          2HB       ARG  49  -3.452  -6.193  -7.019
  391   1HG   ARG  49          1HG       ARG  49  -5.531  -5.727  -9.158
  392   2HG   ARG  49          2HG       ARG  49  -3.801  -5.449  -9.340
  393   1HD   ARG  49          1HD       ARG  49  -4.045  -7.548 -10.262
  394   2HD   ARG  49          2HD       ARG  49  -3.581  -7.930  -8.609
  395    HE   ARG  49           HE       ARG  49  -6.435  -7.830  -9.158
  396   1HH1  ARG  49          1HH1      ARG  49  -3.565  -9.805  -8.807
  397   2HH1  ARG  49          2HH1      ARG  49  -4.455 -11.277  -8.531
  398   1HH2  ARG  49          1HH2      ARG  49  -7.615  -9.755  -8.764
  399   2HH2  ARG  49          2HH2      ARG  49  -6.748 -11.246  -8.495
  400    H    GLN  50           H        GLN  50  -4.148  -7.974  -4.937
  401    HA   GLN  50           HA       GLN  50  -4.407  -6.121  -2.669
  402   1HB   GLN  50          1HB       GLN  50  -4.797  -9.120  -2.567
  403   2HB   GLN  50          2HB       GLN  50  -4.694  -8.073  -1.161
  404   1HG   GLN  50          1HG       GLN  50  -6.695  -6.874  -1.938
  405   2HG   GLN  50          2HG       GLN  50  -6.820  -7.997  -3.289
  406   1HE2  GLN  50          1HE2      GLN  50  -5.911 -10.228  -1.656
  407   2HE2  GLN  50          2HE2      GLN  50  -7.257 -10.679  -0.664
  408    H    GLY  51           H        GLY  51  -2.532  -5.694  -1.716
  409   1HA   GLY  51          1HA       GLY  51  -0.486  -7.496  -1.354
  410   2HA   GLY  51          2HA       GLY  51  -0.052  -6.649  -2.759
  411    H    PHE  52           H        PHE  52   1.793  -6.116  -1.296
  412    HA   PHE  52           HA       PHE  52   1.128  -4.193   0.795
  413   1HB   PHE  52          1HB       PHE  52   3.607  -5.771   0.159
  414   2HB   PHE  52          2HB       PHE  52   3.583  -4.488   1.368
  415    HD1  PHE  52           HD1      PHE  52   3.038  -4.985   3.536
  416    HD2  PHE  52           HD2      PHE  52   1.816  -7.640   0.427
  417    HE1  PHE  52           HE1      PHE  52   2.234  -6.580   5.229
  418    HE2  PHE  52           HE2      PHE  52   1.001  -9.240   2.123
  419    HZ   PHE  52           HZ       PHE  52   1.210  -8.710   4.523
  420    H    VAL  53           H        VAL  53   1.966  -2.230   0.981
  421    HA   VAL  53           HA       VAL  53   3.692  -1.113  -1.097
  422    HB   VAL  53           HB       VAL  53   2.353   0.884  -1.341
  423   1HG1  VAL  53          1HG1      VAL  53   0.393   0.035  -2.484
  424   2HG1  VAL  53          2HG1      VAL  53   0.582  -1.516  -1.665
  425   3HG1  VAL  53          3HG1      VAL  53   1.800  -0.977  -2.821
  426   1HG2  VAL  53          1HG2      VAL  53   0.490  -0.379   0.663
  427   2HG2  VAL  53          2HG2      VAL  53   0.094   1.047  -0.299
  428   3HG2  VAL  53          3HG2      VAL  53   1.427   1.104   0.856
  429    HA   PRO  54           HA       PRO  54   5.722   0.803   2.352
  430   1HB   PRO  54          1HB       PRO  54   5.598   3.347   0.809
  431   2HB   PRO  54          2HB       PRO  54   7.008   2.536   1.508
  432   1HG   PRO  54          1HG       PRO  54   6.594   2.460  -1.104
  433   2HG   PRO  54          2HG       PRO  54   7.131   0.997  -0.252
  434   1HD   PRO  54          1HD       PRO  54   4.391   1.734  -1.216
  435   2HD   PRO  54          2HD       PRO  54   5.228   0.169  -1.295
  436    H    ALA  55           H        ALA  55   4.768   1.416   4.205
  437    HA   ALA  55           HA       ALA  55   2.200   2.577   4.363
  438   1HB   ALA  55          1HB       ALA  55   4.395   2.458   6.432
  439   2HB   ALA  55          2HB       ALA  55   3.113   1.271   6.187
  440   3HB   ALA  55          3HB       ALA  55   2.718   2.893   6.757
  441    H    ALA  56           H        ALA  56   5.405   3.933   4.230
  442    HA   ALA  56           HA       ALA  56   4.740   6.578   5.044
  443   1HB   ALA  56          1HB       ALA  56   7.033   5.594   5.113
  444   2HB   ALA  56          2HB       ALA  56   6.950   7.172   4.330
  445   3HB   ALA  56          3HB       ALA  56   7.083   5.709   3.352
  446    H    TYR  57           H        TYR  57   3.832   4.891   2.368
  447    HA   TYR  57           HA       TYR  57   3.839   7.260   0.597
  448   1HB   TYR  57          1HB       TYR  57   3.650   4.299   0.060
  449   2HB   TYR  57          2HB       TYR  57   3.077   5.475  -1.126
  450    HD1  TYR  57           HD1      TYR  57   4.522   5.546  -2.883
  451    HD2  TYR  57           HD2      TYR  57   6.122   5.344   1.059
  452    HE1  TYR  57           HE1      TYR  57   6.786   5.690  -3.801
  453    HE2  TYR  57           HE2      TYR  57   8.393   5.516   0.152
  454    HH   TYR  57           HH       TYR  57   9.635   5.403  -1.724
  455    H    VAL  58           H        VAL  58   1.968   5.957   2.855
  456    HA   VAL  58           HA       VAL  58  -0.492   6.639   1.430
  457    HB   VAL  58           HB       VAL  58   0.311   4.047   2.264
  458   1HG1  VAL  58          1HG1      VAL  58  -1.844   3.441   3.451
  459   2HG1  VAL  58          2HG1      VAL  58  -1.996   5.164   3.796
  460   3HG1  VAL  58          3HG1      VAL  58  -0.599   4.265   4.389
  461   1HG2  VAL  58          1HG2      VAL  58  -1.615   3.322   1.049
  462   2HG2  VAL  58          2HG2      VAL  58  -0.866   4.670   0.189
  463   3HG2  VAL  58          3HG2      VAL  58  -2.330   4.931   1.138
  464    H    LYS  59           H        LYS  59  -2.079   7.594   2.650
  465    HA   LYS  59           HA       LYS  59  -1.438   8.203   5.471
  466   1HB   LYS  59          1HB       LYS  59  -1.113  10.293   4.483
  467   2HB   LYS  59          2HB       LYS  59  -2.272   9.974   3.201
  468   1HG   LYS  59          1HG       LYS  59  -3.898  10.026   5.371
  469   2HG   LYS  59          2HG       LYS  59  -2.655  11.188   5.836
  470   1HD   LYS  59          1HD       LYS  59  -3.391  12.708   4.369
  471   2HD   LYS  59          2HD       LYS  59  -3.506  11.514   3.076
  472   1HE   LYS  59          1HE       LYS  59  -5.692  12.450   3.528
  473   2HE   LYS  59          2HE       LYS  59  -5.659  10.750   4.000
  474   1HZ   LYS  59          1HZ       LYS  59  -6.767  12.190   5.641
  475   2HZ   LYS  59          2HZ       LYS  59  -5.311  13.033   5.880
  476   3HZ   LYS  59          3HZ       LYS  59  -5.418  11.391   6.289
  477    H    LYS  60           H        LYS  60  -3.076   7.936   6.920
  478    HA   LYS  60           HA       LYS  60  -5.323   6.399   6.185
  479   1HB   LYS  60          1HB       LYS  60  -5.016   8.028   8.712
  480   2HB   LYS  60          2HB       LYS  60  -6.064   6.632   8.473
  481   1HG   LYS  60          1HG       LYS  60  -3.112   6.385   8.160
  482   2HG   LYS  60          2HG       LYS  60  -3.852   6.362   9.758
  483   1HD   LYS  60          1HD       LYS  60  -5.241   4.611   7.913
  484   2HD   LYS  60          2HD       LYS  60  -3.549   4.196   8.047
  485   1HE   LYS  60          1HE       LYS  60  -4.811   2.978   9.709
  486   2HE   LYS  60          2HE       LYS  60  -3.797   4.168  10.511
  487   1HZ   LYS  60          1HZ       LYS  60  -6.677   4.544   9.885
  488   2HZ   LYS  60          2HZ       LYS  60  -5.692   5.604  10.769
  489   3HZ   LYS  60          3HZ       LYS  60  -6.071   4.080  11.401
  490    H    LEU  61           H        LEU  61  -7.334   6.866   5.689
  491    HA   LEU  61           HA       LEU  61  -7.993   9.685   5.307
  492   1HB   LEU  61          1HB       LEU  61  -9.281   7.131   4.381
  493   2HB   LEU  61          2HB       LEU  61 -10.092   8.676   4.224
  494    HG   LEU  61           HG       LEU  61  -7.382   8.111   3.025
  495   1HD1  LEU  61          1HD1      LEU  61  -8.519   7.798   0.904
  496   2HD1  LEU  61          2HD1      LEU  61 -10.082   7.973   1.700
  497   3HD1  LEU  61          3HD1      LEU  61  -9.050   6.594   2.078
  498   1HD2  LEU  61          1HD2      LEU  61  -7.547  10.403   3.034
  499   2HD2  LEU  61          2HD2      LEU  61  -9.309  10.383   2.940
  500   3HD2  LEU  61          3HD2      LEU  61  -8.346  10.030   1.507
  501    H    ASP  62           H        ASP  62  -8.833   7.013   7.362
  502    HA   ASP  62           HA       ASP  62 -10.905   8.659   8.638
  503   1HB   ASP  62          1HB       ASP  62 -11.757   6.510   7.881
  504   2HB   ASP  62          2HB       ASP  62 -10.463   5.667   8.728
  505   1H    ACE   0          1H        ACE   0   2.990 -11.756   2.642
  506   2H    ACE   0          2H        ACE   0   4.512 -12.342   3.313
  507   3H    ACE   0          3H        ACE   0   4.432 -11.938   1.599
  508    H    ALA   1           H        ALA   1   4.741 -10.736   4.818
  509    HA   ALA   1           HA       ALA   1   4.656  -7.955   3.961
  510   1HB   ALA   1          1HB       ALA   1   5.090  -7.462   6.349
  511   2HB   ALA   1          2HB       ALA   1   5.162  -9.195   6.666
  512   3HB   ALA   1          3HB       ALA   1   3.662  -8.464   6.099
  513    HA   PRO   2           HA       PRO   2   9.021  -8.091   2.971
  514   1HB   PRO   2          1HB       PRO   2   8.596  -5.169   2.757
  515   2HB   PRO   2          2HB       PRO   2   9.231  -6.303   1.560
  516   1HG   PRO   2          1HG       PRO   2   6.788  -5.268   1.300
  517   2HG   PRO   2          2HG       PRO   2   7.117  -6.957   0.866
  518   1HD   PRO   2          1HD       PRO   2   5.823  -5.850   3.333
  519   2HD   PRO   2          2HD       PRO   2   5.371  -7.269   2.362
  520    H    SER   3           H        SER   3  10.384  -8.314   4.628
  521    HA   SER   3           HA       SER   3  10.220  -6.452   6.873
  522   1HB   SER   3          1HB       SER   3  11.875  -8.972   6.612
  523   2HB   SER   3          2HB       SER   3  11.563  -8.056   8.088
  524    HG   SER   3           HG       SER   3   9.356  -8.954   6.626
  525    H    TYR   4           H        TYR   4  11.071  -4.836   5.245
  526    HA   TYR   4           HA       TYR   4  13.797  -4.336   5.862
  527   1HB   TYR   4          1HB       TYR   4  14.567  -4.156   3.467
  528   2HB   TYR   4          2HB       TYR   4  14.346  -5.793   4.061
  529    HD1  TYR   4           HD1      TYR   4  12.997  -3.201   1.823
  530    HD2  TYR   4           HD2      TYR   4  12.700  -7.249   3.095
  531    HE1  TYR   4           HE1      TYR   4  11.588  -3.707  -0.127
  532    HE2  TYR   4           HE2      TYR   4  11.288  -7.763   1.151
  533    HH   TYR   4           HH       TYR   4   9.786  -6.550  -0.415
  534    H    SER   5           H        SER   5  14.508  -2.237   4.993
  535    HA   SER   5           HA       SER   5  12.549  -0.277   5.423
  536   1HB   SER   5          1HB       SER   5  15.109   0.264   3.944
  537   2HB   SER   5          2HB       SER   5  14.269   1.285   5.112
  538    HG   SER   5           HG       SER   5  15.807  -1.051   5.584
  539    HA   PRO   6           HA       PRO   6  10.669  -0.105   1.380
  540   1HB   PRO   6          1HB       PRO   6   9.197   2.143   1.823
  541   2HB   PRO   6          2HB       PRO   6   8.737   0.551   2.435
  542   1HG   PRO   6          1HG       PRO   6  10.094   2.809   3.853
  543   2HG   PRO   6          2HG       PRO   6   8.809   1.732   4.432
  544   1HD   PRO   6          1HD       PRO   6  11.403   1.401   5.122
  545   2HD   PRO   6          2HD       PRO   6  10.281   0.038   4.940
  546    HA   PRO   7           HA       PRO   7  13.131   2.738  -0.930
  547   1HB   PRO   7          1HB       PRO   7  11.415   3.435  -2.940
  548   2HB   PRO   7          2HB       PRO   7  12.270   1.890  -2.870
  549   1HG   PRO   7          1HG       PRO   7   9.463   2.545  -2.074
  550   2HG   PRO   7          2HG       PRO   7  10.074   1.137  -2.963
  551   1HD   PRO   7          1HD       PRO   7   9.471   1.010  -0.343
  552   2HD   PRO   7          2HD       PRO   7  10.823   0.088  -1.034
  553    HA   PRO   8           HA       PRO   8  12.244   6.778   0.685
  554   1HB   PRO   8          1HB       PRO   8  13.860   8.177  -1.073
  555   2HB   PRO   8          2HB       PRO   8  14.422   7.395   0.407
  556   1HG   PRO   8          1HG       PRO   8  14.522   6.416  -2.416
  557   2HG   PRO   8          2HG       PRO   8  15.745   6.284  -1.138
  558   1HD   PRO   8          1HD       PRO   8  14.201   4.201  -1.791
  559   2HD   PRO   8          2HD       PRO   8  14.653   4.514  -0.101
  560    HA   PRO   9           HA       PRO   9   8.812   8.099  -1.817
  561   1HB   PRO   9          1HB       PRO   9   9.458  10.700  -0.501
  562   2HB   PRO   9          2HB       PRO   9   7.904   9.869  -0.650
  563   1HG   PRO   9          1HG       PRO   9   9.233   9.828   1.646
  564   2HG   PRO   9          2HG       PRO   9   8.391   8.378   1.064
  565   1HD   PRO   9          1HD       PRO   9  11.308   9.006   1.071
  566   2HD   PRO   9          2HD       PRO   9  10.487   7.451   1.310
  567    HA   PRO  10           HA       PRO  10  11.074  10.163  -5.089
  568   1HB   PRO  10          1HB       PRO  10   9.108   9.338  -6.948
  569   2HB   PRO  10          2HB       PRO  10  10.640   8.536  -6.604
  570   1HG   PRO  10          1HG       PRO  10   8.102   7.511  -6.066
  571   2HG   PRO  10          2HG       PRO  10   9.625   6.919  -5.381
  572   1HD   PRO  10          1HD       PRO  10   7.590   8.754  -4.186
  573   2HD   PRO  10          2HD       PRO  10   8.582   7.502  -3.404
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1 -21.585  -7.537  -1.891
    2   2H    MET   1          2H        MET   1 -21.167  -5.930  -2.231
    3   3H    MET   1          3H        MET   1 -20.664  -6.650  -0.780
    4    HA   MET   1           HA       MET   1 -19.114  -7.997  -1.791
    5   1HB   MET   1          1HB       MET   1 -20.650  -7.386  -4.306
    6   2HB   MET   1          2HB       MET   1 -19.009  -8.010  -4.378
    7   1HG   MET   1          1HG       MET   1 -21.401  -9.338  -3.134
    8   2HG   MET   1          2HG       MET   1 -20.559  -9.820  -4.606
    9   1HE   MET   1          1HE       MET   1 -21.178 -11.909  -2.319
   10   2HE   MET   1          2HE       MET   1 -19.633 -12.752  -2.218
   11   3HE   MET   1          3HE       MET   1 -20.286 -12.294  -3.790
   12    H    ASP   2           H        ASP   2 -18.945  -5.424  -0.832
   13    HA   ASP   2           HA       ASP   2 -17.230  -4.069  -2.803
   14   1HB   ASP   2          1HB       ASP   2 -17.612  -2.261  -0.733
   15   2HB   ASP   2          2HB       ASP   2 -18.393  -2.228  -2.307
   16    H    GLU   3           H        GLU   3 -15.378  -5.260  -2.368
   17    HA   GLU   3           HA       GLU   3 -14.366  -5.616   0.304
   18   1HB   GLU   3          1HB       GLU   3 -12.654  -5.593  -2.276
   19   2HB   GLU   3          2HB       GLU   3 -12.084  -6.133  -0.706
   20   1HG   GLU   3          1HG       GLU   3 -12.614  -8.046  -1.996
   21   2HG   GLU   3          2HG       GLU   3 -13.821  -7.907  -0.719
   22    H    THR   4           H        THR   4 -14.713  -2.751  -1.319
   23    HA   THR   4           HA       THR   4 -12.337  -1.559  -0.108
   24    HB   THR   4           HB       THR   4 -12.952  -0.968  -2.544
   25    HG1  THR   4           HG1      THR   4 -11.556   0.263  -0.969
   26   1HG2  THR   4          1HG2      THR   4 -14.478   1.247  -2.312
   27   2HG2  THR   4          2HG2      THR   4 -15.247   0.226  -1.099
   28   3HG2  THR   4          3HG2      THR   4 -15.125  -0.325  -2.773
   29    H    GLY   5           H        GLY   5 -14.913  -2.494   1.130
   30   1HA   GLY   5          1HA       GLY   5 -15.896  -0.034   2.378
   31   2HA   GLY   5          2HA       GLY   5 -16.609  -1.634   2.545
   32    H    LYS   6           H        LYS   6 -13.437  -0.165   3.166
   33    HA   LYS   6           HA       LYS   6 -13.558  -0.988   5.944
   34   1HB   LYS   6          1HB       LYS   6 -11.114  -1.540   4.217
   35   2HB   LYS   6          2HB       LYS   6 -11.360  -1.937   5.879
   36   1HG   LYS   6          1HG       LYS   6 -12.830  -3.728   5.369
   37   2HG   LYS   6          2HG       LYS   6 -12.972  -3.205   3.692
   38   1HD   LYS   6          1HD       LYS   6 -10.611  -3.701   3.331
   39   2HD   LYS   6          2HD       LYS   6 -10.450  -4.189   5.018
   40   1HE   LYS   6          1HE       LYS   6 -10.794  -6.242   4.132
   41   2HE   LYS   6          2HE       LYS   6 -12.481  -5.771   4.313
   42   1HZ   LYS   6          1HZ       LYS   6 -12.008  -4.797   1.906
   43   2HZ   LYS   6          2HZ       LYS   6 -12.527  -6.387   2.159
   44   3HZ   LYS   6          3HZ       LYS   6 -10.886  -6.068   1.889
   45    H    GLU   7           H        GLU   7 -10.935  -0.254   6.555
   46    HA   GLU   7           HA       GLU   7 -11.148   2.588   6.579
   47   1HB   GLU   7          1HB       GLU   7 -10.067   1.209   8.381
   48   2HB   GLU   7          2HB       GLU   7  -8.736   0.897   7.275
   49   1HG   GLU   7          1HG       GLU   7  -8.136   3.207   7.237
   50   2HG   GLU   7          2HG       GLU   7  -9.581   3.647   8.150
   51    H    LEU   8           H        LEU   8 -10.649   3.882   4.945
   52    HA   LEU   8           HA       LEU   8  -8.983   2.837   2.803
   53   1HB   LEU   8          1HB       LEU   8 -10.673   5.314   3.020
   54   2HB   LEU   8          2HB       LEU   8  -9.742   4.879   1.599
   55    HG   LEU   8           HG       LEU   8 -11.872   3.119   2.776
   56   1HD1  LEU   8          1HD1      LEU   8 -13.310   3.877   0.912
   57   2HD1  LEU   8          2HD1      LEU   8 -12.112   5.112   0.528
   58   3HD1  LEU   8          3HD1      LEU   8 -12.958   5.153   2.076
   59   1HD2  LEU   8          1HD2      LEU   8 -11.803   1.995   0.620
   60   2HD2  LEU   8          2HD2      LEU   8 -10.229   1.962   1.416
   61   3HD2  LEU   8          3HD2      LEU   8 -10.523   3.087   0.088
   62    H    VAL   9           H        VAL   9  -7.334   3.929   1.878
   63    HA   VAL   9           HA       VAL   9  -6.022   6.027   3.469
   64    HB   VAL   9           HB       VAL   9  -3.828   4.952   2.584
   65   1HG1  VAL   9          1HG1      VAL   9  -4.110   5.122   4.878
   66   2HG1  VAL   9          2HG1      VAL   9  -3.797   3.408   4.599
   67   3HG1  VAL   9          3HG1      VAL   9  -5.445   3.970   4.899
   68   1HG2  VAL   9          1HG2      VAL   9  -4.787   3.280   1.168
   69   2HG2  VAL   9          2HG2      VAL   9  -5.691   2.591   2.517
   70   3HG2  VAL   9          3HG2      VAL   9  -3.929   2.490   2.490
   71    H    LEU  10           H        LEU  10  -4.536   7.307   2.262
   72    HA   LEU  10           HA       LEU  10  -5.315   7.551  -0.564
   73   1HB   LEU  10          1HB       LEU  10  -5.884   9.508   0.729
   74   2HB   LEU  10          2HB       LEU  10  -4.268   9.585   1.405
   75    HG   LEU  10           HG       LEU  10  -3.570   9.858  -1.120
   76   1HD1  LEU  10          1HD1      LEU  10  -5.324  11.294  -2.247
   77   2HD1  LEU  10          2HD1      LEU  10  -6.466  10.651  -1.067
   78   3HD1  LEU  10          3HD1      LEU  10  -5.645   9.560  -2.183
   79   1HD2  LEU  10          1HD2      LEU  10  -4.765  12.010   0.610
   80   2HD2  LEU  10          2HD2      LEU  10  -3.791  12.317  -0.829
   81   3HD2  LEU  10          3HD2      LEU  10  -3.080  11.487   0.559
   82    H    ALA  11           H        ALA  11  -3.776   7.466  -2.134
   83    HA   ALA  11           HA       ALA  11  -1.130   6.618  -1.323
   84   1HB   ALA  11          1HB       ALA  11  -2.664   5.849  -3.377
   85   2HB   ALA  11          2HB       ALA  11  -0.904   5.753  -3.415
   86   3HB   ALA  11          3HB       ALA  11  -1.729   7.109  -4.191
   87    H    LEU  12           H        LEU  12   0.313   8.137  -0.797
   88    HA   LEU  12           HA       LEU  12   0.148  10.833  -1.673
   89   1HB   LEU  12          1HB       LEU  12   2.104   9.267  -0.034
   90   2HB   LEU  12          2HB       LEU  12   2.480  10.908  -0.551
   91    HG   LEU  12           HG       LEU  12   0.292  11.600   0.515
   92   1HD1  LEU  12          1HD1      LEU  12  -0.742   9.433   0.651
   93   2HD1  LEU  12          2HD1      LEU  12  -0.602  10.160   2.253
   94   3HD1  LEU  12          3HD1      LEU  12   0.513   8.882   1.763
   95   1HD2  LEU  12          1HD2      LEU  12   2.420  12.117   1.561
   96   2HD2  LEU  12          2HD2      LEU  12   2.499  10.495   2.249
   97   3HD2  LEU  12          3HD2      LEU  12   1.261  11.623   2.799
   98    H    TYR  13           H        TYR  13   2.052   8.056  -2.705
   99    HA   TYR  13           HA       TYR  13   3.084   9.706  -4.896
  100   1HB   TYR  13          1HB       TYR  13   4.960   7.759  -3.607
  101   2HB   TYR  13          2HB       TYR  13   5.329   9.168  -4.591
  102    HD1  TYR  13           HD1      TYR  13   5.172  11.442  -3.575
  103    HD2  TYR  13           HD2      TYR  13   4.812   7.904  -1.242
  104    HE1  TYR  13           HE1      TYR  13   5.621  12.744  -1.538
  105    HE2  TYR  13           HE2      TYR  13   5.253   9.196   0.798
  106    HH   TYR  13           HH       TYR  13   5.074  12.489   0.975
  107    H    ASP  14           H        ASP  14   4.108   8.364  -6.593
  108    HA   ASP  14           HA       ASP  14   2.450   6.135  -7.263
  109   1HB   ASP  14          1HB       ASP  14   3.215   7.770  -8.965
  110   2HB   ASP  14          2HB       ASP  14   4.881   7.290  -8.669
  111    H    TYR  15           H        TYR  15   2.991   4.048  -7.160
  112    HA   TYR  15           HA       TYR  15   5.720   3.336  -6.359
  113   1HB   TYR  15          1HB       TYR  15   4.480   3.426  -4.279
  114   2HB   TYR  15          2HB       TYR  15   3.205   2.413  -4.949
  115    HD1  TYR  15           HD1      TYR  15   3.247   0.150  -4.440
  116    HD2  TYR  15           HD2      TYR  15   6.891   2.339  -4.386
  117    HE1  TYR  15           HE1      TYR  15   4.442  -1.862  -3.674
  118    HE2  TYR  15           HE2      TYR  15   8.091   0.340  -3.636
  119    HH   TYR  15           HH       TYR  15   6.642  -2.782  -3.595
  120    H    GLN  16           H        GLN  16   6.456   1.403  -7.107
  121    HA   GLN  16           HA       GLN  16   4.625  -0.164  -8.824
  122   1HB   GLN  16          1HB       GLN  16   7.109   1.159  -9.419
  123   2HB   GLN  16          2HB       GLN  16   7.375  -0.567  -9.521
  124   1HG   GLN  16          1HG       GLN  16   5.489   1.129 -11.150
  125   2HG   GLN  16          2HG       GLN  16   6.852   0.161 -11.695
  126   1HE2  GLN  16          1HE2      GLN  16   6.386  -2.207 -10.364
  127   2HE2  GLN  16          2HE2      GLN  16   4.923  -2.930 -10.961
  128    H    GLU  17           H        GLU  17   4.399  -2.236  -8.247
  129    HA   GLU  17           HA       GLU  17   5.513  -3.276  -5.901
  130   1HB   GLU  17          1HB       GLU  17   4.406  -5.286  -6.383
  131   2HB   GLU  17          2HB       GLU  17   3.411  -4.048  -7.124
  132   1HG   GLU  17          1HG       GLU  17   5.449  -5.250  -8.875
  133   2HG   GLU  17          2HG       GLU  17   4.159  -6.325  -8.343
  134    H    LYS  18           H        LYS  18   7.229  -4.591  -5.437
  135    HA   LYS  18           HA       LYS  18   9.176  -4.937  -7.634
  136   1HB   LYS  18          1HB       LYS  18   9.704  -5.094  -4.663
  137   2HB   LYS  18          2HB       LYS  18  10.906  -5.066  -5.947
  138   1HG   LYS  18          1HG       LYS  18  10.387  -2.757  -6.450
  139   2HG   LYS  18          2HG       LYS  18   9.021  -2.781  -5.338
  140   1HD   LYS  18          1HD       LYS  18  11.844  -3.305  -4.440
  141   2HD   LYS  18          2HD       LYS  18  11.143  -1.688  -4.491
  142   1HE   LYS  18          1HE       LYS  18  10.888  -2.484  -2.260
  143   2HE   LYS  18          2HE       LYS  18   9.294  -2.553  -3.013
  144   1HZ   LYS  18          1HZ       LYS  18  10.173  -4.558  -1.644
  145   2HZ   LYS  18          2HZ       LYS  18  11.017  -4.941  -3.061
  146   3HZ   LYS  18          3HZ       LYS  18   9.320  -4.832  -3.083
  147    H    SER  19           H        SER  19   7.556  -6.593  -4.977
  148    HA   SER  19           HA       SER  19   8.407  -9.151  -6.158
  149   1HB   SER  19          1HB       SER  19   8.537 -10.120  -4.006
  150   2HB   SER  19          2HB       SER  19   9.276  -8.525  -3.800
  151    HG   SER  19           HG       SER  19   7.516  -7.823  -2.718
  152    HA   PRO  20           HA       PRO  20   4.180 -10.329  -6.735
  153   1HB   PRO  20          1HB       PRO  20   4.640 -12.727  -5.032
  154   2HB   PRO  20          2HB       PRO  20   4.051 -12.627  -6.699
  155   1HG   PRO  20          1HG       PRO  20   6.516 -13.440  -6.247
  156   2HG   PRO  20          2HG       PRO  20   6.208 -12.273  -7.553
  157   1HD   PRO  20          1HD       PRO  20   7.213 -11.767  -4.769
  158   2HD   PRO  20          2HD       PRO  20   7.853 -11.155  -6.314
  159    H    ALA  21           H        ALA  21   5.372  -9.824  -3.588
  160    HA   ALA  21           HA       ALA  21   2.735 -10.084  -2.349
  161   1HB   ALA  21          1HB       ALA  21   4.476 -11.069  -1.055
  162   2HB   ALA  21          2HB       ALA  21   3.962  -9.593  -0.230
  163   3HB   ALA  21          3HB       ALA  21   5.459  -9.608  -1.167
  164    H    GLU  22           H        GLU  22   4.089  -7.870  -4.161
  165    HA   GLU  22           HA       GLU  22   3.153  -5.619  -2.507
  166   1HB   GLU  22          1HB       GLU  22   5.425  -5.815  -4.459
  167   2HB   GLU  22          2HB       GLU  22   4.618  -4.275  -4.228
  168   1HG   GLU  22          1HG       GLU  22   5.845  -3.889  -2.429
  169   2HG   GLU  22          2HG       GLU  22   5.243  -5.362  -1.665
  170    H    VAL  23           H        VAL  23   2.096  -3.875  -3.641
  171    HA   VAL  23           HA       VAL  23   1.014  -4.648  -6.258
  172    HB   VAL  23           HB       VAL  23  -1.106  -3.352  -5.498
  173   1HG1  VAL  23          1HG1      VAL  23  -2.126  -5.412  -4.620
  174   2HG1  VAL  23          2HG1      VAL  23  -0.518  -6.134  -4.538
  175   3HG1  VAL  23          3HG1      VAL  23  -1.197  -5.661  -6.097
  176   1HG2  VAL  23          1HG2      VAL  23   0.354  -3.558  -3.005
  177   2HG2  VAL  23          2HG2      VAL  23  -1.276  -4.213  -2.899
  178   3HG2  VAL  23          3HG2      VAL  23  -1.030  -2.555  -3.432
  179    H    THR  24           H        THR  24   0.477  -2.936  -7.631
  180    HA   THR  24           HA       THR  24   2.182  -0.624  -7.224
  181    HB   THR  24           HB       THR  24   0.629  -1.668  -9.584
  182    HG1  THR  24           HG1      THR  24   2.463  -2.800  -9.424
  183   1HG2  THR  24          1HG2      THR  24   0.595   0.762  -9.720
  184   2HG2  THR  24          2HG2      THR  24   1.696   0.095 -10.928
  185   3HG2  THR  24          3HG2      THR  24   2.336   0.816  -9.450
  186    H    MET  25           H        MET  25   1.513   1.409  -6.889
  187    HA   MET  25           HA       MET  25  -1.363   1.998  -7.027
  188   1HB   MET  25          1HB       MET  25  -1.286   3.256  -4.961
  189   2HB   MET  25          2HB       MET  25  -0.729   1.608  -4.656
  190   1HG   MET  25          1HG       MET  25   1.501   2.281  -4.426
  191   2HG   MET  25          2HG       MET  25   1.196   3.846  -5.189
  192   1HE   MET  25          1HE       MET  25   0.011   1.684  -2.028
  193   2HE   MET  25          2HE       MET  25  -1.404   2.463  -2.737
  194   3HE   MET  25          3HE       MET  25  -0.821   2.968  -1.152
  195    H    LYS  26           H        LYS  26  -1.805   4.326  -7.112
  196    HA   LYS  26           HA       LYS  26   0.406   5.845  -8.335
  197   1HB   LYS  26          1HB       LYS  26  -2.315   5.332  -9.489
  198   2HB   LYS  26          2HB       LYS  26  -1.617   6.927  -9.704
  199   1HG   LYS  26          1HG       LYS  26  -1.061   5.690 -11.618
  200   2HG   LYS  26          2HG       LYS  26   0.413   5.804 -10.656
  201   1HD   LYS  26          1HD       LYS  26   0.060   3.547  -9.815
  202   2HD   LYS  26          2HD       LYS  26  -1.452   3.433 -10.718
  203   1HE   LYS  26          1HE       LYS  26   0.355   2.289 -11.890
  204   2HE   LYS  26          2HE       LYS  26  -0.224   3.677 -12.814
  205   1HZ   LYS  26          1HZ       LYS  26   1.762   4.775 -11.385
  206   2HZ   LYS  26          2HZ       LYS  26   1.946   4.148 -12.950
  207   3HZ   LYS  26          3HZ       LYS  26   2.367   3.205 -11.605
  208    H    LYS  27           H        LYS  27   0.364   8.070  -8.010
  209    HA   LYS  27           HA       LYS  27  -0.629   8.915  -5.520
  210   1HB   LYS  27          1HB       LYS  27   1.217  10.141  -6.197
  211   2HB   LYS  27          2HB       LYS  27   0.660  10.269  -7.858
  212   1HG   LYS  27          1HG       LYS  27   0.530  12.432  -7.010
  213   2HG   LYS  27          2HG       LYS  27  -1.132  11.841  -6.975
  214   1HD   LYS  27          1HD       LYS  27  -0.950  11.370  -4.608
  215   2HD   LYS  27          2HD       LYS  27   0.751  11.843  -4.617
  216   1HE   LYS  27          1HE       LYS  27  -0.647  13.994  -5.739
  217   2HE   LYS  27          2HE       LYS  27  -1.601  13.477  -4.347
  218   1HZ   LYS  27          1HZ       LYS  27   1.266  14.253  -4.357
  219   2HZ   LYS  27          2HZ       LYS  27   0.469  13.590  -3.015
  220   3HZ   LYS  27          3HZ       LYS  27  -0.017  15.090  -3.631
  221    H    GLY  28           H        GLY  28  -2.531   9.663  -4.911
  222   1HA   GLY  28          1HA       GLY  28  -4.493  11.046  -5.201
  223   2HA   GLY  28          2HA       GLY  28  -4.318  10.838  -6.946
  224    H    ASP  29           H        ASP  29  -3.782   7.879  -5.637
  225    HA   ASP  29           HA       ASP  29  -6.481   7.020  -6.307
  226   1HB   ASP  29          1HB       ASP  29  -3.936   5.903  -6.734
  227   2HB   ASP  29          2HB       ASP  29  -4.719   4.875  -5.529
  228    H    ILE  30           H        ILE  30  -7.725   5.727  -4.949
  229    HA   ILE  30           HA       ILE  30  -7.086   6.072  -2.107
  230    HB   ILE  30           HB       ILE  30  -9.679   5.824  -3.604
  231   1HG1  ILE  30          1HG1      ILE  30 -10.337   7.735  -2.248
  232   2HG1  ILE  30          2HG1      ILE  30  -8.865   7.618  -1.299
  233   1HG2  ILE  30          1HG2      ILE  30  -9.244   5.084  -0.728
  234   2HG2  ILE  30          2HG2      ILE  30  -9.998   4.124  -2.001
  235   3HG2  ILE  30          3HG2      ILE  30 -10.817   5.553  -1.372
  236   1HD1  ILE  30          1HD1      ILE  30  -9.114   8.402  -4.192
  237   2HD1  ILE  30          2HD1      ILE  30  -7.575   8.137  -3.370
  238   3HD1  ILE  30          3HD1      ILE  30  -8.652   9.431  -2.835
  239    H    LEU  31           H        LEU  31  -6.279   4.405  -1.121
  240    HA   LEU  31           HA       LEU  31  -6.652   1.710  -2.222
  241   1HB   LEU  31          1HB       LEU  31  -4.572   3.026  -0.533
  242   2HB   LEU  31          2HB       LEU  31  -4.795   1.301  -0.383
  243    HG   LEU  31           HG       LEU  31  -2.949   1.999  -1.904
  244   1HD1  LEU  31          1HD1      LEU  31  -3.919  -0.212  -2.047
  245   2HD1  LEU  31          2HD1      LEU  31  -3.475   0.379  -3.649
  246   3HD1  LEU  31          3HD1      LEU  31  -5.164   0.383  -3.148
  247   1HD2  LEU  31          1HD2      LEU  31  -5.202   2.916  -3.688
  248   2HD2  LEU  31          2HD2      LEU  31  -3.502   2.790  -4.146
  249   3HD2  LEU  31          3HD2      LEU  31  -3.999   3.949  -2.916
  250    H    THR  32           H        THR  32  -7.175  -0.027  -0.825
  251    HA   THR  32           HA       THR  32  -8.694   0.771   1.554
  252    HB   THR  32           HB       THR  32  -8.774  -1.901   0.145
  253    HG1  THR  32           HG1      THR  32  -9.453   0.028  -1.154
  254   1HG2  THR  32          1HG2      THR  32  -9.600  -1.859   2.458
  255   2HG2  THR  32          2HG2      THR  32 -10.906  -2.150   1.306
  256   3HG2  THR  32          3HG2      THR  32 -10.706  -0.552   2.031
  257    H    LEU  33           H        LEU  33  -7.876   0.295   3.530
  258    HA   LEU  33           HA       LEU  33  -5.384  -1.136   3.694
  259   1HB   LEU  33          1HB       LEU  33  -6.951   0.583   5.445
  260   2HB   LEU  33          2HB       LEU  33  -6.234  -0.773   6.294
  261    HG   LEU  33           HG       LEU  33  -4.775   1.316   4.686
  262   1HD1  LEU  33          1HD1      LEU  33  -3.809   1.960   6.783
  263   2HD1  LEU  33          2HD1      LEU  33  -4.656   0.658   7.619
  264   3HD1  LEU  33          3HD1      LEU  33  -5.568   1.998   6.916
  265   1HD2  LEU  33          1HD2      LEU  33  -3.750  -1.162   6.049
  266   2HD2  LEU  33          2HD2      LEU  33  -2.729   0.183   5.544
  267   3HD2  LEU  33          3HD2      LEU  33  -3.621  -0.745   4.338
  268    H    LEU  34           H        LEU  34  -5.058  -3.160   4.163
  269    HA   LEU  34           HA       LEU  34  -7.348  -4.793   5.033
  270   1HB   LEU  34          1HB       LEU  34  -4.837  -5.772   3.682
  271   2HB   LEU  34          2HB       LEU  34  -6.338  -6.636   3.900
  272    HG   LEU  34           HG       LEU  34  -5.925  -4.265   2.084
  273   1HD1  LEU  34          1HD1      LEU  34  -4.914  -6.562   1.504
  274   2HD1  LEU  34          2HD1      LEU  34  -5.897  -5.733   0.292
  275   3HD1  LEU  34          3HD1      LEU  34  -6.587  -7.056   1.236
  276   1HD2  LEU  34          1HD2      LEU  34  -8.198  -4.933   1.240
  277   2HD2  LEU  34          2HD2      LEU  34  -8.173  -4.196   2.842
  278   3HD2  LEU  34          3HD2      LEU  34  -8.353  -5.945   2.677
  279    H    ASN  35           H        ASN  35  -3.917  -4.154   5.491
  280    HA   ASN  35           HA       ASN  35  -4.050  -5.036   8.240
  281   1HB   ASN  35          1HB       ASN  35  -3.615  -7.134   7.007
  282   2HB   ASN  35          2HB       ASN  35  -2.196  -6.412   6.275
  283   1HD2  ASN  35          1HD2      ASN  35  -2.829  -8.706   8.252
  284   2HD2  ASN  35          2HD2      ASN  35  -1.631  -8.495   9.483
  285    H    SER  36           H        SER  36  -2.772  -3.739   9.441
  286    HA   SER  36           HA       SER  36  -0.525  -2.396   8.116
  287   1HB   SER  36          1HB       SER  36  -1.200  -0.376   9.605
  288   2HB   SER  36          2HB       SER  36  -2.135  -0.688   8.135
  289    HG   SER  36           HG       SER  36  -3.723  -1.677   9.391
  290    H    THR  37           H        THR  37  -0.506  -4.732   9.834
  291    HA   THR  37           HA       THR  37   0.251  -3.961  12.470
  292    HB   THR  37           HB       THR  37  -0.580  -6.259  11.678
  293    HG1  THR  37           HG1      THR  37   0.917  -5.491  13.746
  294   1HG2  THR  37          1HG2      THR  37   1.037  -6.780   9.975
  295   2HG2  THR  37          2HG2      THR  37   1.261  -7.905  11.312
  296   3HG2  THR  37          3HG2      THR  37   2.369  -6.548  11.110
  297    H    ASN  38           H        ASN  38   1.801  -3.743   9.510
  298    HA   ASN  38           HA       ASN  38   4.504  -3.811  10.648
  299   1HB   ASN  38          1HB       ASN  38   3.941  -5.059   8.528
  300   2HB   ASN  38          2HB       ASN  38   3.645  -3.506   7.775
  301   1HD2  ASN  38          1HD2      ASN  38   5.620  -5.632   7.169
  302   2HD2  ASN  38          2HD2      ASN  38   7.158  -4.833   7.191
  303    H    LYS  39           H        LYS  39   5.770  -1.927  10.619
  304    HA   LYS  39           HA       LYS  39   4.287   0.503  10.722
  305   1HB   LYS  39          1HB       LYS  39   7.146  -0.289  11.251
  306   2HB   LYS  39          2HB       LYS  39   6.523   1.305  11.482
  307   1HG   LYS  39          1HG       LYS  39   5.257   0.701  13.338
  308   2HG   LYS  39          2HG       LYS  39   5.274  -1.008  12.883
  309   1HD   LYS  39          1HD       LYS  39   7.716  -1.036  13.313
  310   2HD   LYS  39          2HD       LYS  39   7.593   0.625  13.896
  311   1HE   LYS  39          1HE       LYS  39   6.204  -0.028  15.708
  312   2HE   LYS  39          2HE       LYS  39   5.995  -1.649  15.044
  313   1HZ   LYS  39          1HZ       LYS  39   7.576  -1.739  16.809
  314   2HZ   LYS  39          2HZ       LYS  39   8.494  -0.485  16.141
  315   3HZ   LYS  39          3HZ       LYS  39   8.409  -1.984  15.356
  316    H    ASP  40           H        ASP  40   6.489  -1.037   8.462
  317    HA   ASP  40           HA       ASP  40   6.720   1.532   7.036
  318   1HB   ASP  40          1HB       ASP  40   8.523  -0.889   7.022
  319   2HB   ASP  40          2HB       ASP  40   8.679   0.444   5.871
  320    H    TRP  41           H        TRP  41   5.370  -1.572   6.864
  321    HA   TRP  41           HA       TRP  41   4.705  -1.119   4.036
  322   1HB   TRP  41          1HB       TRP  41   5.465  -3.747   5.326
  323   2HB   TRP  41          2HB       TRP  41   4.743  -3.608   3.733
  324    HD1  TRP  41           HD1      TRP  41   8.013  -3.078   5.589
  325    HE1  TRP  41           HE1      TRP  41   9.895  -2.654   3.882
  326    HE3  TRP  41           HE3      TRP  41   5.175  -2.646   1.364
  327    HZ2  TRP  41           HZ2      TRP  41  10.133  -2.200   1.102
  328    HZ3  TRP  41           HZ3      TRP  41   6.304  -2.214  -0.778
  329    HH2  TRP  41           HH2      TRP  41   8.730  -1.995  -0.905
  330    H    TRP  42           H        TRP  42   2.582  -1.139   3.603
  331    HA   TRP  42           HA       TRP  42   0.802  -2.334   5.625
  332   1HB   TRP  42          1HB       TRP  42   0.573   0.247   4.095
  333   2HB   TRP  42          2HB       TRP  42  -0.873  -0.567   4.697
  334    HD1  TRP  42           HD1      TRP  42   1.789  -1.189   7.091
  335    HE1  TRP  42           HE1      TRP  42   1.654   0.377   9.112
  336    HE3  TRP  42           HE3      TRP  42  -1.464   2.247   5.215
  337    HZ2  TRP  42           HZ2      TRP  42   0.362   2.790   9.797
  338    HZ3  TRP  42           HZ3      TRP  42  -2.098   4.182   6.616
  339    HH2  TRP  42           HH2      TRP  42  -1.197   4.434   8.857
  340    H    LYS  43           H        LYS  43  -0.729  -3.715   4.957
  341    HA   LYS  43           HA       LYS  43  -0.644  -4.602   2.191
  342   1HB   LYS  43          1HB       LYS  43  -0.713  -6.211   4.122
  343   2HB   LYS  43          2HB       LYS  43  -2.327  -5.624   4.489
  344   1HG   LYS  43          1HG       LYS  43  -3.052  -6.357   2.215
  345   2HG   LYS  43          2HG       LYS  43  -1.476  -7.135   2.014
  346   1HD   LYS  43          1HD       LYS  43  -2.006  -8.310   4.236
  347   2HD   LYS  43          2HD       LYS  43  -3.661  -7.755   3.983
  348   1HE   LYS  43          1HE       LYS  43  -2.052  -9.639   2.270
  349   2HE   LYS  43          2HE       LYS  43  -3.535  -9.972   3.169
  350   1HZ   LYS  43          1HZ       LYS  43  -4.418  -9.689   1.140
  351   2HZ   LYS  43          2HZ       LYS  43  -3.176  -8.680   0.592
  352   3HZ   LYS  43          3HZ       LYS  43  -4.400  -8.054   1.584
  353    H    VAL  44           H        VAL  44  -1.947  -3.764   0.703
  354    HA   VAL  44           HA       VAL  44  -4.604  -2.804   1.531
  355    HB   VAL  44           HB       VAL  44  -4.339  -0.909  -0.111
  356   1HG1  VAL  44          1HG1      VAL  44  -2.475  -0.907   2.261
  357   2HG1  VAL  44          2HG1      VAL  44  -4.198  -0.529   2.288
  358   3HG1  VAL  44          3HG1      VAL  44  -3.077   0.524   1.422
  359   1HG2  VAL  44          1HG2      VAL  44  -2.048  -0.221  -0.692
  360   2HG2  VAL  44          2HG2      VAL  44  -2.469  -1.785  -1.388
  361   3HG2  VAL  44          3HG2      VAL  44  -1.429  -1.704   0.035
  362    H    GLU  45           H        GLU  45  -5.903  -2.252  -0.523
  363    HA   GLU  45           HA       GLU  45  -5.366  -4.208  -2.648
  364   1HB   GLU  45          1HB       GLU  45  -7.097  -5.108  -1.135
  365   2HB   GLU  45          2HB       GLU  45  -8.044  -3.642  -1.355
  366   1HG   GLU  45          1HG       GLU  45  -8.058  -4.216  -3.836
  367   2HG   GLU  45          2HG       GLU  45  -7.467  -5.803  -3.349
  368    H    VAL  46           H        VAL  46  -5.527  -3.417  -4.648
  369    HA   VAL  46           HA       VAL  46  -6.887  -0.820  -5.056
  370    HB   VAL  46           HB       VAL  46  -5.147  -1.223  -7.212
  371   1HG1  VAL  46          1HG1      VAL  46  -4.141   0.843  -6.524
  372   2HG1  VAL  46          2HG1      VAL  46  -4.821   0.665  -4.906
  373   3HG1  VAL  46          3HG1      VAL  46  -5.890   0.905  -6.292
  374   1HG2  VAL  46          1HG2      VAL  46  -3.702  -1.652  -4.617
  375   2HG2  VAL  46          2HG2      VAL  46  -2.941  -1.332  -6.176
  376   3HG2  VAL  46          3HG2      VAL  46  -3.878  -2.808  -5.938
  377    H    ASN  47           H        ASN  47  -8.622  -1.106  -6.213
  378    HA   ASN  47           HA       ASN  47 -10.149  -1.737  -7.692
  379   1HB   ASN  47          1HB       ASN  47  -9.516  -2.236  -9.920
  380   2HB   ASN  47          2HB       ASN  47  -8.403  -1.049  -9.324
  381   1HD2  ASN  47          1HD2      ASN  47  -6.227  -1.494  -9.494
  382   2HD2  ASN  47          2HD2      ASN  47  -5.606  -2.992 -10.097
  383    H    ASP  48           H        ASP  48  -7.745  -4.241  -7.664
  384    HA   ASP  48           HA       ASP  48  -9.527  -6.214  -6.553
  385   1HB   ASP  48          1HB       ASP  48 -10.209  -6.221  -8.954
  386   2HB   ASP  48          2HB       ASP  48  -8.554  -6.645  -9.390
  387    H    ARG  49           H        ARG  49  -6.526  -4.987  -7.243
  388    HA   ARG  49           HA       ARG  49  -5.041  -7.477  -6.928
  389   1HB   ARG  49          1HB       ARG  49  -4.098  -4.626  -7.316
  390   2HB   ARG  49          2HB       ARG  49  -3.038  -6.021  -7.205
  391   1HG   ARG  49          1HG       ARG  49  -5.075  -5.511  -9.374
  392   2HG   ARG  49          2HG       ARG  49  -3.330  -5.320  -9.505
  393   1HD   ARG  49          1HD       ARG  49  -3.700  -7.391 -10.467
  394   2HD   ARG  49          2HD       ARG  49  -3.223  -7.797  -8.820
  395    HE   ARG  49           HE       ARG  49  -6.089  -7.615  -9.459
  396   1HH1  ARG  49          1HH1      ARG  49  -3.272  -9.561  -8.712
  397   2HH1  ARG  49          2HH1      ARG  49  -4.194 -10.968  -8.263
  398   1HH2  ARG  49          1HH2      ARG  49  -7.320  -9.483  -8.888
  399   2HH2  ARG  49          2HH2      ARG  49  -6.482 -10.930  -8.408
  400    H    GLN  50           H        GLN  50  -4.213  -8.141  -5.029
  401    HA   GLN  50           HA       GLN  50  -4.321  -6.233  -2.789
  402   1HB   GLN  50          1HB       GLN  50  -4.785  -9.208  -2.866
  403   2HB   GLN  50          2HB       GLN  50  -4.421  -8.363  -1.366
  404   1HG   GLN  50          1HG       GLN  50  -6.402  -6.892  -1.838
  405   2HG   GLN  50          2HG       GLN  50  -6.792  -7.981  -3.170
  406   1HE2  GLN  50          1HE2      GLN  50  -8.828  -8.163  -1.838
  407   2HE2  GLN  50          2HE2      GLN  50  -8.852  -9.385  -0.607
  408    H    GLY  51           H        GLY  51  -2.554  -5.929  -1.564
  409   1HA   GLY  51          1HA       GLY  51  -0.459  -7.598  -1.202
  410   2HA   GLY  51          2HA       GLY  51   0.019  -6.757  -2.604
  411    H    PHE  52           H        PHE  52   1.794  -6.126  -1.143
  412    HA   PHE  52           HA       PHE  52   1.042  -4.213   0.929
  413   1HB   PHE  52          1HB       PHE  52   3.572  -5.739   0.368
  414   2HB   PHE  52          2HB       PHE  52   3.472  -4.460   1.575
  415    HD1  PHE  52           HD1      PHE  52   2.818  -4.957   3.730
  416    HD2  PHE  52           HD2      PHE  52   1.888  -7.683   0.583
  417    HE1  PHE  52           HE1      PHE  52   2.003  -6.576   5.394
  418    HE2  PHE  52           HE2      PHE  52   1.065  -9.308   2.247
  419    HZ   PHE  52           HZ       PHE  52   1.118  -8.760   4.649
  420    H    VAL  53           H        VAL  53   1.895  -2.212   1.110
  421    HA   VAL  53           HA       VAL  53   3.605  -1.145  -1.017
  422    HB   VAL  53           HB       VAL  53   2.270   0.867  -1.230
  423   1HG1  VAL  53          1HG1      VAL  53   0.526  -1.550  -1.557
  424   2HG1  VAL  53          2HG1      VAL  53   1.736  -0.994  -2.715
  425   3HG1  VAL  53          3HG1      VAL  53   0.317   0.001  -2.371
  426   1HG2  VAL  53          1HG2      VAL  53   0.462  -0.419   0.803
  427   2HG2  VAL  53          2HG2      VAL  53  -0.010   0.960  -0.191
  428   3HG2  VAL  53          3HG2      VAL  53   1.337   1.107   0.940
  429    HA   PRO  54           HA       PRO  54   5.729   0.893   2.298
  430   1HB   PRO  54          1HB       PRO  54   5.506   3.400   0.717
  431   2HB   PRO  54          2HB       PRO  54   6.954   2.617   1.365
  432   1HG   PRO  54          1HG       PRO  54   6.419   2.504  -1.229
  433   2HG   PRO  54          2HG       PRO  54   7.034   1.069  -0.384
  434   1HD   PRO  54          1HD       PRO  54   4.235   1.714  -1.236
  435   2HD   PRO  54          2HD       PRO  54   5.108   0.167  -1.316
  436    H    ALA  55           H        ALA  55   4.833   1.541   4.167
  437    HA   ALA  55           HA       ALA  55   2.246   2.648   4.365
  438   1HB   ALA  55          1HB       ALA  55   2.797   2.973   6.742
  439   2HB   ALA  55          2HB       ALA  55   4.471   2.557   6.385
  440   3HB   ALA  55          3HB       ALA  55   3.196   1.353   6.164
  441    H    ALA  56           H        ALA  56   5.355   4.072   3.934
  442    HA   ALA  56           HA       ALA  56   4.632   6.710   4.827
  443   1HB   ALA  56          1HB       ALA  56   6.984   5.907   3.111
  444   2HB   ALA  56          2HB       ALA  56   6.961   5.791   4.874
  445   3HB   ALA  56          3HB       ALA  56   6.814   7.365   4.094
  446    H    TYR  57           H        TYR  57   3.823   4.908   2.196
  447    HA   TYR  57           HA       TYR  57   3.699   7.218   0.356
  448   1HB   TYR  57          1HB       TYR  57   3.618   4.238  -0.092
  449   2HB   TYR  57          2HB       TYR  57   2.985   5.352  -1.303
  450    HD1  TYR  57           HD1      TYR  57   4.416   5.448  -3.091
  451    HD2  TYR  57           HD2      TYR  57   6.061   5.402   0.837
  452    HE1  TYR  57           HE1      TYR  57   6.667   5.692  -4.033
  453    HE2  TYR  57           HE2      TYR  57   8.308   5.664  -0.092
  454    HH   TYR  57           HH       TYR  57   9.531   5.430  -2.035
  455    H    VAL  58           H        VAL  58   1.938   5.978   2.693
  456    HA   VAL  58           HA       VAL  58  -0.583   6.540   1.328
  457    HB   VAL  58           HB       VAL  58   0.303   3.986   2.172
  458   1HG1  VAL  58          1HG1      VAL  58  -1.917   5.093   3.837
  459   2HG1  VAL  58          2HG1      VAL  58  -0.490   4.185   4.341
  460   3HG1  VAL  58          3HG1      VAL  58  -1.795   3.372   3.477
  461   1HG2  VAL  58          1HG2      VAL  58  -0.978   4.498   0.162
  462   2HG2  VAL  58          2HG2      VAL  58  -2.388   4.868   1.158
  463   3HG2  VAL  58          3HG2      VAL  58  -1.739   3.227   1.122
  464    H    LYS  59           H        LYS  59  -2.254   7.316   2.660
  465    HA   LYS  59           HA       LYS  59  -1.507   8.028   5.417
  466   1HB   LYS  59          1HB       LYS  59  -1.118  10.035   4.211
  467   2HB   LYS  59          2HB       LYS  59  -2.558   9.816   3.229
  468   1HG   LYS  59          1HG       LYS  59  -3.675   9.988   5.676
  469   2HG   LYS  59          2HG       LYS  59  -2.248  11.005   5.901
  470   1HD   LYS  59          1HD       LYS  59  -3.395  12.647   4.915
  471   2HD   LYS  59          2HD       LYS  59  -3.242  11.740   3.411
  472   1HE   LYS  59          1HE       LYS  59  -5.528  12.068   3.545
  473   2HE   LYS  59          2HE       LYS  59  -5.342  10.469   4.271
  474   1HZ   LYS  59          1HZ       LYS  59  -5.510  11.407   6.436
  475   2HZ   LYS  59          2HZ       LYS  59  -6.813  12.001   5.531
  476   3HZ   LYS  59          3HZ       LYS  59  -5.469  12.991   5.834
  477    H    LYS  60           H        LYS  60  -3.069   7.744   6.891
  478    HA   LYS  60           HA       LYS  60  -5.409   6.285   6.380
  479   1HB   LYS  60          1HB       LYS  60  -4.278   7.665   8.711
  480   2HB   LYS  60          2HB       LYS  60  -6.014   7.769   8.659
  481   1HG   LYS  60          1HG       LYS  60  -5.259   5.945  10.048
  482   2HG   LYS  60          2HG       LYS  60  -6.202   5.362   8.689
  483   1HD   LYS  60          1HD       LYS  60  -4.449   4.328   7.741
  484   2HD   LYS  60          2HD       LYS  60  -3.273   5.491   8.338
  485   1HE   LYS  60          1HE       LYS  60  -3.393   3.024   9.377
  486   2HE   LYS  60          2HE       LYS  60  -3.076   4.389  10.403
  487   1HZ   LYS  60          1HZ       LYS  60  -5.737   3.151   9.980
  488   2HZ   LYS  60          2HZ       LYS  60  -5.407   4.465  11.001
  489   3HZ   LYS  60          3HZ       LYS  60  -4.749   2.943  11.344
  490    H    LEU  61           H        LEU  61  -7.167   6.903   5.270
  491    HA   LEU  61           HA       LEU  61  -7.853   9.725   5.061
  492   1HB   LEU  61          1HB       LEU  61  -9.060   7.220   3.904
  493   2HB   LEU  61          2HB       LEU  61  -9.808   8.792   3.714
  494    HG   LEU  61           HG       LEU  61  -7.007   8.201   2.775
  495   1HD1  LEU  61          1HD1      LEU  61  -7.919   7.802   0.594
  496   2HD1  LEU  61          2HD1      LEU  61  -9.553   8.130   1.170
  497   3HD1  LEU  61          3HD1      LEU  61  -8.690   6.699   1.736
  498   1HD2  LEU  61          1HD2      LEU  61  -7.303  10.529   2.892
  499   2HD2  LEU  61          2HD2      LEU  61  -8.979  10.428   2.355
  500   3HD2  LEU  61          3HD2      LEU  61  -7.670  10.125   1.214
  501    H    ASP  62           H        ASP  62  -8.532   7.144   7.051
  502    HA   ASP  62           HA       ASP  62 -11.114   8.192   7.944
  503   1HB   ASP  62          1HB       ASP  62 -10.823   5.730   7.352
  504   2HB   ASP  62          2HB       ASP  62  -9.818   5.595   8.791
  505   1H    ACE   0          1H        ACE   0   3.840 -12.499   2.267
  506   2H    ACE   0          2H        ACE   0   5.043 -11.751   1.219
  507   3H    ACE   0          3H        ACE   0   3.524 -10.909   1.513
  508    H    ALA   1           H        ALA   1   3.885  -9.199   2.694
  509    HA   ALA   1           HA       ALA   1   4.529  -7.828   4.373
  510   1HB   ALA   1          1HB       ALA   1   3.491  -9.512   5.802
  511   2HB   ALA   1          2HB       ALA   1   4.885  -8.771   6.588
  512   3HB   ALA   1          3HB       ALA   1   5.022 -10.386   5.892
  513    HA   PRO   2           HA       PRO   2   8.954  -8.164   3.174
  514   1HB   PRO   2          1HB       PRO   2   8.656  -5.244   2.959
  515   2HB   PRO   2          2HB       PRO   2   9.228  -6.405   1.757
  516   1HG   PRO   2          1HG       PRO   2   6.847  -5.189   1.520
  517   2HG   PRO   2          2HG       PRO   2   7.097  -6.864   0.991
  518   1HD   PRO   2          1HD       PRO   2   5.827  -5.836   3.504
  519   2HD   PRO   2          2HD       PRO   2   5.308  -7.165   2.444
  520    H    SER   3           H        SER   3  10.541  -8.097   4.627
  521    HA   SER   3           HA       SER   3  10.170  -6.412   7.013
  522   1HB   SER   3          1HB       SER   3  11.917  -8.867   6.736
  523   2HB   SER   3          2HB       SER   3  11.502  -8.018   8.224
  524    HG   SER   3           HG       SER   3   9.229  -8.546   7.555
  525    H    TYR   4           H        TYR   4  11.108  -5.022   4.933
  526    HA   TYR   4           HA       TYR   4  13.801  -4.408   5.775
  527   1HB   TYR   4          1HB       TYR   4  14.573  -4.240   3.366
  528   2HB   TYR   4          2HB       TYR   4  14.386  -5.868   3.998
  529    HD1  TYR   4           HD1      TYR   4  12.794  -3.305   1.849
  530    HD2  TYR   4           HD2      TYR   4  12.936  -7.411   2.957
  531    HE1  TYR   4           HE1      TYR   4  11.362  -3.866  -0.064
  532    HE2  TYR   4           HE2      TYR   4  11.505  -7.983   1.040
  533    HH   TYR   4           HH       TYR   4   9.884  -6.926  -0.434
  534    H    SER   5           H        SER   5  14.558  -2.367   4.645
  535    HA   SER   5           HA       SER   5  12.673  -0.339   5.148
  536   1HB   SER   5          1HB       SER   5  15.179   0.017   3.517
  537   2HB   SER   5          2HB       SER   5  14.400   1.174   4.602
  538    HG   SER   5           HG       SER   5  14.942  -0.262   6.338
  539    HA   PRO   6           HA       PRO   6  10.587  -0.262   1.210
  540   1HB   PRO   6          1HB       PRO   6   9.086   1.946   1.694
  541   2HB   PRO   6          2HB       PRO   6   8.717   0.373   2.409
  542   1HG   PRO   6          1HG       PRO   6  10.132   2.716   3.615
  543   2HG   PRO   6          2HG       PRO   6   8.903   1.659   4.335
  544   1HD   PRO   6          1HD       PRO   6  11.555   1.388   4.835
  545   2HD   PRO   6          2HD       PRO   6  10.437   0.011   4.828
  546    HA   PRO   7           HA       PRO   7  12.807   2.599  -1.320
  547   1HB   PRO   7          1HB       PRO   7  10.841   3.534  -3.003
  548   2HB   PRO   7          2HB       PRO   7  11.655   1.975  -3.187
  549   1HG   PRO   7          1HG       PRO   7   8.997   2.596  -1.957
  550   2HG   PRO   7          2HG       PRO   7   9.457   1.248  -3.016
  551   1HD   PRO   7          1HD       PRO   7   9.208   0.922  -0.368
  552   2HD   PRO   7          2HD       PRO   7  10.459   0.069  -1.296
  553    HA   PRO   8           HA       PRO   8  12.413   6.470   0.873
  554   1HB   PRO   8          1HB       PRO   8  13.959   7.871  -1.003
  555   2HB   PRO   8          2HB       PRO   8  14.563   7.066   0.448
  556   1HG   PRO   8          1HG       PRO   8  14.523   6.118  -2.376
  557   2HG   PRO   8          2HG       PRO   8  15.734   5.838  -1.110
  558   1HD   PRO   8          1HD       PRO   8  14.009   3.923  -1.833
  559   2HD   PRO   8          2HD       PRO   8  14.503   4.127  -0.138
  560    HA   PRO   9           HA       PRO   9   8.910   8.082  -1.409
  561   1HB   PRO   9          1HB       PRO   9   9.175  10.247   0.608
  562   2HB   PRO   9          2HB       PRO   9   7.770   9.258   0.195
  563   1HG   PRO   9          1HG       PRO   9   9.111   8.841   2.458
  564   2HG   PRO   9          2HG       PRO   9   8.462   7.484   1.516
  565   1HD   PRO   9          1HD       PRO   9  11.273   8.494   1.699
  566   2HD   PRO   9          2HD       PRO   9  10.678   6.823   1.621
  567    HA   PRO  10           HA       PRO  10  11.273  11.148  -3.706
  568   1HB   PRO  10          1HB       PRO  10   9.562  10.693  -5.940
  569   2HB   PRO  10          2HB       PRO  10  11.193  10.068  -5.696
  570   1HG   PRO  10          1HG       PRO  10   8.886   8.532  -5.763
  571   2HG   PRO  10          2HG       PRO  10  10.425   8.028  -5.043
  572   1HD   PRO  10          1HD       PRO  10   7.973   9.117  -3.719
  573   2HD   PRO  10          2HD       PRO  10   9.088   7.847  -3.164
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1 -21.055  -7.529  -1.462
    2   2H    MET   1          2H        MET   1 -21.112  -5.846  -1.642
    3   3H    MET   1          3H        MET   1 -20.010  -6.551  -0.560
    4    HA   MET   1           HA       MET   1 -18.785  -7.544  -2.323
    5   1HB   MET   1          1HB       MET   1 -20.932  -6.332  -4.074
    6   2HB   MET   1          2HB       MET   1 -19.411  -6.959  -4.692
    7   1HG   MET   1          1HG       MET   1 -21.546  -8.515  -3.253
    8   2HG   MET   1          2HG       MET   1 -21.157  -8.589  -4.971
    9   1HE   MET   1          1HE       MET   1 -21.346 -10.981  -2.696
   10   2HE   MET   1          2HE       MET   1 -20.052 -12.042  -3.244
   11   3HE   MET   1          3HE       MET   1 -21.162 -11.328  -4.413
   12    H    ASP   2           H        ASP   2 -18.671  -5.262  -0.671
   13    HA   ASP   2           HA       ASP   2 -17.510  -3.256  -2.502
   14   1HB   ASP   2          1HB       ASP   2 -18.118  -2.550   0.349
   15   2HB   ASP   2          2HB       ASP   2 -18.076  -1.523  -1.077
   16    H    GLU   3           H        GLU   3 -15.636  -4.560  -2.603
   17    HA   GLU   3           HA       GLU   3 -14.091  -5.271  -0.300
   18   1HB   GLU   3          1HB       GLU   3 -12.988  -4.727  -3.138
   19   2HB   GLU   3          2HB       GLU   3 -11.990  -5.286  -1.808
   20   1HG   GLU   3          1HG       GLU   3 -13.444  -6.860  -3.605
   21   2HG   GLU   3          2HG       GLU   3 -12.545  -7.375  -2.183
   22    H    THR   4           H        THR   4 -14.683  -2.180  -1.472
   23    HA   THR   4           HA       THR   4 -12.275  -1.120  -0.192
   24    HB   THR   4           HB       THR   4 -12.941  -0.295  -2.564
   25    HG1  THR   4           HG1      THR   4 -11.448   0.717  -0.952
   26   1HG2  THR   4          1HG2      THR   4 -14.401   1.905  -2.101
   27   2HG2  THR   4          2HG2      THR   4 -15.137   0.834  -0.911
   28   3HG2  THR   4          3HG2      THR   4 -15.123   0.382  -2.618
   29    H    GLY   5           H        GLY   5 -14.788  -2.219   0.991
   30   1HA   GLY   5          1HA       GLY   5 -15.810   0.094   2.476
   31   2HA   GLY   5          2HA       GLY   5 -16.489  -1.531   2.496
   32    H    LYS   6           H        LYS   6 -13.293  -0.159   3.137
   33    HA   LYS   6           HA       LYS   6 -13.336  -1.165   5.845
   34   1HB   LYS   6          1HB       LYS   6 -10.996  -1.704   3.969
   35   2HB   LYS   6          2HB       LYS   6 -11.192  -2.216   5.611
   36   1HG   LYS   6          1HG       LYS   6 -12.663  -3.922   5.075
   37   2HG   LYS   6          2HG       LYS   6 -13.106  -3.203   3.539
   38   1HD   LYS   6          1HD       LYS   6 -10.690  -3.609   2.838
   39   2HD   LYS   6          2HD       LYS   6 -10.573  -4.639   4.264
   40   1HE   LYS   6          1HE       LYS   6 -12.094  -6.182   3.432
   41   2HE   LYS   6          2HE       LYS   6 -12.805  -5.026   2.308
   42   1HZ   LYS   6          1HZ       LYS   6 -10.749  -5.122   0.999
   43   2HZ   LYS   6          2HZ       LYS   6 -11.481  -6.643   1.129
   44   3HZ   LYS   6          3HZ       LYS   6 -10.117  -6.280   2.064
   45    H    GLU   7           H        GLU   7 -10.701  -0.472   6.465
   46    HA   GLU   7           HA       GLU   7 -10.892   2.344   6.683
   47   1HB   GLU   7          1HB       GLU   7  -9.587   0.659   8.155
   48   2HB   GLU   7          2HB       GLU   7  -8.312   0.818   6.954
   49   1HG   GLU   7          1HG       GLU   7  -8.004   3.105   7.447
   50   2HG   GLU   7          2HG       GLU   7  -9.501   3.179   8.377
   51    H    LEU   8           H        LEU   8 -10.501   3.817   5.149
   52    HA   LEU   8           HA       LEU   8  -9.027   2.968   2.788
   53   1HB   LEU   8          1HB       LEU   8 -10.780   5.334   3.349
   54   2HB   LEU   8          2HB       LEU   8  -9.871   5.157   1.859
   55    HG   LEU   8           HG       LEU   8 -11.925   3.200   2.853
   56   1HD1  LEU   8          1HD1      LEU   8 -13.343   4.045   1.024
   57   2HD1  LEU   8          2HD1      LEU   8 -12.146   5.296   0.695
   58   3HD1  LEU   8          3HD1      LEU   8 -13.011   5.285   2.233
   59   1HD2  LEU   8          1HD2      LEU   8 -11.774   2.325   0.529
   60   2HD2  LEU   8          2HD2      LEU   8 -10.329   2.076   1.507
   61   3HD2  LEU   8          3HD2      LEU   8 -10.363   3.356   0.292
   62    H    VAL   9           H        VAL   9  -7.377   3.989   1.901
   63    HA   VAL   9           HA       VAL   9  -6.002   6.075   3.460
   64    HB   VAL   9           HB       VAL   9  -3.833   4.994   2.581
   65   1HG1  VAL   9          1HG1      VAL   9  -4.235   5.085   4.892
   66   2HG1  VAL   9          2HG1      VAL   9  -3.757   3.427   4.524
   67   3HG1  VAL   9          3HG1      VAL   9  -5.457   3.815   4.810
   68   1HG2  VAL   9          1HG2      VAL   9  -4.803   3.384   1.083
   69   2HG2  VAL   9          2HG2      VAL   9  -5.692   2.634   2.409
   70   3HG2  VAL   9          3HG2      VAL   9  -3.930   2.546   2.367
   71    H    LEU  10           H        LEU  10  -4.514   7.335   2.211
   72    HA   LEU  10           HA       LEU  10  -5.330   7.543  -0.612
   73   1HB   LEU  10          1HB       LEU  10  -5.897   9.513   0.670
   74   2HB   LEU  10          2HB       LEU  10  -4.267   9.616   1.308
   75    HG   LEU  10           HG       LEU  10  -3.609   9.857  -1.224
   76   1HD1  LEU  10          1HD1      LEU  10  -5.808   9.447  -2.145
   77   2HD1  LEU  10          2HD1      LEU  10  -5.311  11.103  -2.491
   78   3HD1  LEU  10          3HD1      LEU  10  -6.477  10.783  -1.209
   79   1HD2  LEU  10          1HD2      LEU  10  -4.853  12.047   0.425
   80   2HD2  LEU  10          2HD2      LEU  10  -3.834  12.304  -0.990
   81   3HD2  LEU  10          3HD2      LEU  10  -3.167  11.529   0.448
   82    H    ALA  11           H        ALA  11  -3.796   7.379  -2.173
   83    HA   ALA  11           HA       ALA  11  -1.148   6.578  -1.327
   84   1HB   ALA  11          1HB       ALA  11  -1.841   6.961  -4.205
   85   2HB   ALA  11          2HB       ALA  11  -2.618   5.651  -3.310
   86   3HB   ALA  11          3HB       ALA  11  -0.860   5.712  -3.434
   87    H    LEU  12           H        LEU  12   0.281   8.128  -0.839
   88    HA   LEU  12           HA       LEU  12   0.083  10.791  -1.807
   89   1HB   LEU  12          1HB       LEU  12   2.046   9.300  -0.109
   90   2HB   LEU  12          2HB       LEU  12   2.403  10.934  -0.667
   91    HG   LEU  12           HG       LEU  12   0.213  11.637   0.372
   92   1HD1  LEU  12          1HD1      LEU  12  -0.698  10.220   2.132
   93   2HD1  LEU  12          2HD1      LEU  12   0.413   8.933   1.657
   94   3HD1  LEU  12          3HD1      LEU  12  -0.838   9.480   0.537
   95   1HD2  LEU  12          1HD2      LEU  12   2.327  12.169   1.438
   96   2HD2  LEU  12          2HD2      LEU  12   2.404  10.552   2.141
   97   3HD2  LEU  12          3HD2      LEU  12   1.160  11.685   2.673
   98    H    TYR  13           H        TYR  13   2.101   8.035  -2.692
   99    HA   TYR  13           HA       TYR  13   3.138   9.653  -4.916
  100   1HB   TYR  13          1HB       TYR  13   4.976   7.680  -3.619
  101   2HB   TYR  13          2HB       TYR  13   5.366   9.123  -4.544
  102    HD1  TYR  13           HD1      TYR  13   5.263  11.344  -3.463
  103    HD2  TYR  13           HD2      TYR  13   4.695   7.759  -1.258
  104    HE1  TYR  13           HE1      TYR  13   5.661  12.577  -1.374
  105    HE2  TYR  13           HE2      TYR  13   5.086   8.979   0.841
  106    HH   TYR  13           HH       TYR  13   5.505  12.488   0.863
  107    H    ASP  14           H        ASP  14   4.239   8.232  -6.561
  108    HA   ASP  14           HA       ASP  14   2.515   6.016  -7.198
  109   1HB   ASP  14          1HB       ASP  14   3.284   7.640  -8.930
  110   2HB   ASP  14          2HB       ASP  14   4.933   7.083  -8.689
  111    H    TYR  15           H        TYR  15   3.063   3.932  -7.048
  112    HA   TYR  15           HA       TYR  15   5.811   3.290  -6.264
  113   1HB   TYR  15          1HB       TYR  15   4.469   3.342  -4.199
  114   2HB   TYR  15          2HB       TYR  15   3.354   2.168  -4.897
  115    HD1  TYR  15           HD1      TYR  15   3.675  -0.078  -4.366
  116    HD2  TYR  15           HD2      TYR  15   7.005   2.569  -4.218
  117    HE1  TYR  15           HE1      TYR  15   5.098  -1.912  -3.555
  118    HE2  TYR  15           HE2      TYR  15   8.427   0.748  -3.414
  119    HH   TYR  15           HH       TYR  15   7.389  -2.552  -3.384
  120    H    GLN  16           H        GLN  16   6.592   1.333  -6.927
  121    HA   GLN  16           HA       GLN  16   4.896  -0.148  -8.837
  122   1HB   GLN  16          1HB       GLN  16   7.519   1.023  -9.081
  123   2HB   GLN  16          2HB       GLN  16   7.663  -0.718  -9.210
  124   1HG   GLN  16          1HG       GLN  16   6.182   1.188 -10.980
  125   2HG   GLN  16          2HG       GLN  16   7.429   0.024 -11.404
  126   1HE2  GLN  16          1HE2      GLN  16   6.734  -2.343 -10.793
  127   2HE2  GLN  16          2HE2      GLN  16   5.137  -2.764 -11.316
  128    H    GLU  17           H        GLU  17   4.418  -2.159  -8.252
  129    HA   GLU  17           HA       GLU  17   5.295  -3.340  -5.857
  130   1HB   GLU  17          1HB       GLU  17   4.227  -5.420  -6.798
  131   2HB   GLU  17          2HB       GLU  17   3.186  -4.003  -6.752
  132   1HG   GLU  17          1HG       GLU  17   3.691  -3.614  -9.145
  133   2HG   GLU  17          2HG       GLU  17   4.604  -5.122  -9.159
  134    H    LYS  18           H        LYS  18   6.928  -4.737  -5.373
  135    HA   LYS  18           HA       LYS  18   8.787  -5.325  -7.588
  136   1HB   LYS  18          1HB       LYS  18   9.319  -5.440  -4.617
  137   2HB   LYS  18          2HB       LYS  18  10.508  -5.626  -5.901
  138   1HG   LYS  18          1HG       LYS  18  10.183  -3.295  -6.568
  139   2HG   LYS  18          2HG       LYS  18   8.927  -3.107  -5.346
  140   1HD   LYS  18          1HD       LYS  18  11.738  -3.918  -4.639
  141   2HD   LYS  18          2HD       LYS  18  11.250  -2.230  -4.777
  142   1HE   LYS  18          1HE       LYS  18  11.121  -2.867  -2.463
  143   2HE   LYS  18          2HE       LYS  18   9.480  -2.662  -3.073
  144   1HZ   LYS  18          1HZ       LYS  18  10.621  -5.351  -3.186
  145   2HZ   LYS  18          2HZ       LYS  18   9.028  -4.860  -2.871
  146   3HZ   LYS  18          3HZ       LYS  18  10.209  -4.753  -1.658
  147    H    SER  19           H        SER  19   7.074  -6.861  -4.891
  148    HA   SER  19           HA       SER  19   7.927  -9.470  -5.943
  149   1HB   SER  19          1HB       SER  19   7.478 -10.348  -3.674
  150   2HB   SER  19          2HB       SER  19   8.670  -9.043  -3.642
  151    HG   SER  19           HG       SER  19   7.186  -7.670  -2.790
  152    HA   PRO  20           HA       PRO  20   3.757 -10.643  -6.874
  153   1HB   PRO  20          1HB       PRO  20   4.012 -13.022  -5.114
  154   2HB   PRO  20          2HB       PRO  20   3.659 -12.941  -6.846
  155   1HG   PRO  20          1HG       PRO  20   6.032 -13.761  -6.031
  156   2HG   PRO  20          2HG       PRO  20   5.915 -12.634  -7.402
  157   1HD   PRO  20          1HD       PRO  20   6.519 -12.037  -4.520
  158   2HD   PRO  20          2HD       PRO  20   7.388 -11.490  -5.975
  159    H    ALA  21           H        ALA  21   4.702 -10.051  -3.690
  160    HA   ALA  21           HA       ALA  21   1.934 -10.131  -2.706
  161   1HB   ALA  21          1HB       ALA  21   3.323 -11.489  -1.317
  162   2HB   ALA  21          2HB       ALA  21   2.974 -10.005  -0.427
  163   3HB   ALA  21          3HB       ALA  21   4.545 -10.222  -1.202
  164    H    GLU  22           H        GLU  22   3.332  -8.139  -4.372
  165    HA   GLU  22           HA       GLU  22   2.950  -5.788  -2.645
  166   1HB   GLU  22          1HB       GLU  22   5.195  -6.494  -4.413
  167   2HB   GLU  22          2HB       GLU  22   4.563  -4.874  -4.666
  168   1HG   GLU  22          1HG       GLU  22   5.122  -4.188  -2.546
  169   2HG   GLU  22          2HG       GLU  22   5.220  -5.830  -1.913
  170    H    VAL  23           H        VAL  23   2.015  -3.938  -3.728
  171    HA   VAL  23           HA       VAL  23   0.857  -4.566  -6.343
  172    HB   VAL  23           HB       VAL  23  -1.222  -3.247  -5.531
  173   1HG1  VAL  23          1HG1      VAL  23  -2.262  -5.359  -4.722
  174   2HG1  VAL  23          2HG1      VAL  23  -0.661  -6.095  -4.785
  175   3HG1  VAL  23          3HG1      VAL  23  -1.413  -5.483  -6.262
  176   1HG2  VAL  23          1HG2      VAL  23   0.209  -3.638  -3.037
  177   2HG2  VAL  23          2HG2      VAL  23  -1.444  -4.245  -2.990
  178   3HG2  VAL  23          3HG2      VAL  23  -1.135  -2.567  -3.421
  179    H    THR  24           H        THR  24   0.839  -3.021  -7.769
  180    HA   THR  24           HA       THR  24   2.313  -0.628  -7.237
  181    HB   THR  24           HB       THR  24   0.950  -1.728  -9.683
  182    HG1  THR  24           HG1      THR  24   3.353  -1.380 -10.285
  183   1HG2  THR  24          1HG2      THR  24   0.688   0.694  -9.799
  184   2HG2  THR  24          2HG2      THR  24   1.878   0.132 -10.974
  185   3HG2  THR  24          3HG2      THR  24   2.410   0.903  -9.479
  186    H    MET  25           H        MET  25   1.590   1.317  -6.732
  187    HA   MET  25           HA       MET  25  -1.279   1.900  -7.020
  188   1HB   MET  25          1HB       MET  25  -1.257   3.141  -4.939
  189   2HB   MET  25          2HB       MET  25  -0.667   1.503  -4.636
  190   1HG   MET  25          1HG       MET  25   1.551   2.232  -4.382
  191   2HG   MET  25          2HG       MET  25   1.204   3.798  -5.125
  192   1HE   MET  25          1HE       MET  25  -1.414   2.369  -2.708
  193   2HE   MET  25          2HE       MET  25  -0.806   2.807  -1.112
  194   3HE   MET  25          3HE       MET  25   0.009   1.557  -2.053
  195    H    LYS  26           H        LYS  26  -1.701   4.300  -6.985
  196    HA   LYS  26           HA       LYS  26   0.532   5.822  -8.143
  197   1HB   LYS  26          1HB       LYS  26  -2.137   5.309  -9.419
  198   2HB   LYS  26          2HB       LYS  26  -1.376   6.876  -9.645
  199   1HG   LYS  26          1HG       LYS  26  -0.649   5.712 -11.480
  200   2HG   LYS  26          2HG       LYS  26   0.693   5.494 -10.357
  201   1HD   LYS  26          1HD       LYS  26  -0.349   3.313  -9.687
  202   2HD   LYS  26          2HD       LYS  26  -1.494   3.531 -11.013
  203   1HE   LYS  26          1HE       LYS  26   0.311   2.113 -11.748
  204   2HE   LYS  26          2HE       LYS  26   0.408   3.661 -12.585
  205   1HZ   LYS  26          1HZ       LYS  26   2.029   2.904 -10.213
  206   2HZ   LYS  26          2HZ       LYS  26   2.155   4.354 -11.077
  207   3HZ   LYS  26          3HZ       LYS  26   2.579   2.884 -11.815
  208    H    LYS  27           H        LYS  27   0.550   7.975  -7.683
  209    HA   LYS  27           HA       LYS  27  -0.683   8.844  -5.328
  210   1HB   LYS  27          1HB       LYS  27   1.136  10.169  -5.672
  211   2HB   LYS  27          2HB       LYS  27   1.006  10.077  -7.420
  212   1HG   LYS  27          1HG       LYS  27   0.625  12.294  -7.059
  213   2HG   LYS  27          2HG       LYS  27  -1.021  11.665  -7.084
  214   1HD   LYS  27          1HD       LYS  27  -1.160  11.725  -4.700
  215   2HD   LYS  27          2HD       LYS  27   0.563  12.078  -4.549
  216   1HE   LYS  27          1HE       LYS  27   0.114  14.201  -5.835
  217   2HE   LYS  27          2HE       LYS  27  -1.604  13.865  -5.637
  218   1HZ   LYS  27          1HZ       LYS  27  -0.619  15.400  -3.962
  219   2HZ   LYS  27          2HZ       LYS  27   0.290  14.102  -3.361
  220   3HZ   LYS  27          3HZ       LYS  27  -1.407  14.053  -3.292
  221    H    GLY  28           H        GLY  28  -2.605   9.675  -4.888
  222   1HA   GLY  28          1HA       GLY  28  -4.468  11.145  -5.395
  223   2HA   GLY  28          2HA       GLY  28  -4.185  10.820  -7.107
  224    H    ASP  29           H        ASP  29  -3.819   7.918  -5.730
  225    HA   ASP  29           HA       ASP  29  -6.580   7.186  -6.330
  226   1HB   ASP  29          1HB       ASP  29  -3.974   5.790  -6.517
  227   2HB   ASP  29          2HB       ASP  29  -5.348   4.799  -6.012
  228    H    ILE  30           H        ILE  30  -7.757   5.842  -4.946
  229    HA   ILE  30           HA       ILE  30  -6.961   6.144  -2.140
  230    HB   ILE  30           HB       ILE  30  -9.624   5.867  -3.508
  231   1HG1  ILE  30          1HG1      ILE  30 -10.241   7.759  -2.127
  232   2HG1  ILE  30          2HG1      ILE  30  -8.741   7.647  -1.222
  233   1HG2  ILE  30          1HG2      ILE  30  -9.636   4.112  -1.816
  234   2HG2  ILE  30          2HG2      ILE  30 -10.722   5.426  -1.369
  235   3HG2  ILE  30          3HG2      ILE  30  -9.149   5.281  -0.588
  236   1HD1  ILE  30          1HD1      ILE  30  -9.111   8.501  -4.079
  237   2HD1  ILE  30          2HD1      ILE  30  -7.533   8.173  -3.363
  238   3HD1  ILE  30          3HD1      ILE  30  -8.543   9.471  -2.720
  239    H    LEU  31           H        LEU  31  -6.235   4.455  -1.101
  240    HA   LEU  31           HA       LEU  31  -6.589   1.789  -2.278
  241   1HB   LEU  31          1HB       LEU  31  -4.478   3.070  -0.616
  242   2HB   LEU  31          2HB       LEU  31  -4.723   1.352  -0.440
  243    HG   LEU  31           HG       LEU  31  -2.887   2.046  -2.006
  244   1HD1  LEU  31          1HD1      LEU  31  -3.837  -0.189  -2.060
  245   2HD1  LEU  31          2HD1      LEU  31  -3.389   0.363  -3.673
  246   3HD1  LEU  31          3HD1      LEU  31  -5.082   0.363  -3.185
  247   1HD2  LEU  31          1HD2      LEU  31  -5.197   2.885  -3.744
  248   2HD2  LEU  31          2HD2      LEU  31  -3.524   2.711  -4.277
  249   3HD2  LEU  31          3HD2      LEU  31  -3.946   3.933  -3.078
  250    H    THR  32           H        THR  32  -7.108   0.033  -0.897
  251    HA   THR  32           HA       THR  32  -8.591   0.862   1.492
  252    HB   THR  32           HB       THR  32  -8.807  -1.777   0.030
  253    HG1  THR  32           HG1      THR  32  -9.461   0.129  -1.238
  254   1HG2  THR  32          1HG2      THR  32 -10.938  -1.930   1.256
  255   2HG2  THR  32          2HG2      THR  32 -10.564  -0.407   2.068
  256   3HG2  THR  32          3HG2      THR  32  -9.551  -1.825   2.345
  257    H    LEU  33           H        LEU  33  -7.788   0.363   3.432
  258    HA   LEU  33           HA       LEU  33  -5.328  -1.104   3.618
  259   1HB   LEU  33          1HB       LEU  33  -6.916   0.606   5.354
  260   2HB   LEU  33          2HB       LEU  33  -6.253  -0.776   6.200
  261    HG   LEU  33           HG       LEU  33  -4.709   1.326   4.699
  262   1HD1  LEU  33          1HD1      LEU  33  -3.713   1.566   7.051
  263   2HD1  LEU  33          2HD1      LEU  33  -5.126   0.662   7.591
  264   3HD1  LEU  33          3HD1      LEU  33  -5.335   2.208   6.768
  265   1HD2  LEU  33          1HD2      LEU  33  -3.720  -1.153   6.096
  266   2HD2  LEU  33          2HD2      LEU  33  -2.700   0.177   5.542
  267   3HD2  LEU  33          3HD2      LEU  33  -3.597  -0.792   4.372
  268    H    LEU  34           H        LEU  34  -5.040  -3.147   4.086
  269    HA   LEU  34           HA       LEU  34  -7.367  -4.756   4.898
  270   1HB   LEU  34          1HB       LEU  34  -4.818  -5.787   3.668
  271   2HB   LEU  34          2HB       LEU  34  -6.350  -6.615   3.819
  272    HG   LEU  34           HG       LEU  34  -5.763  -4.290   1.991
  273   1HD1  LEU  34          1HD1      LEU  34  -4.989  -6.805   1.572
  274   2HD1  LEU  34          2HD1      LEU  34  -5.568  -5.755   0.273
  275   3HD1  LEU  34          3HD1      LEU  34  -6.658  -6.935   1.005
  276   1HD2  LEU  34          1HD2      LEU  34  -8.050  -4.827   1.085
  277   2HD2  LEU  34          2HD2      LEU  34  -8.030  -4.076   2.680
  278   3HD2  LEU  34          3HD2      LEU  34  -8.307  -5.812   2.525
  279    H    ASN  35           H        ASN  35  -3.965  -4.110   5.454
  280    HA   ASN  35           HA       ASN  35  -4.203  -4.854   8.228
  281   1HB   ASN  35          1HB       ASN  35  -3.725  -7.024   7.117
  282   2HB   ASN  35          2HB       ASN  35  -2.246  -6.340   6.459
  283   1HD2  ASN  35          1HD2      ASN  35  -3.811  -7.646   9.225
  284   2HD2  ASN  35          2HD2      ASN  35  -2.424  -7.671  10.265
  285    H    SER  36           H        SER  36  -2.721  -3.811   9.486
  286    HA   SER  36           HA       SER  36  -0.526  -2.410   8.144
  287   1HB   SER  36          1HB       SER  36  -1.104  -0.452   9.733
  288   2HB   SER  36          2HB       SER  36  -2.143  -0.683   8.314
  289    HG   SER  36           HG       SER  36  -2.989  -0.480  10.700
  290    H    THR  37           H        THR  37  -0.435  -4.839   9.655
  291    HA   THR  37           HA       THR  37   0.357  -4.291  12.346
  292    HB   THR  37           HB       THR  37  -0.508  -6.521  11.488
  293    HG1  THR  37           HG1      THR  37   1.933  -6.610  12.970
  294   1HG2  THR  37          1HG2      THR  37   0.925  -6.836   9.561
  295   2HG2  THR  37          2HG2      THR  37   1.223  -8.124  10.729
  296   3HG2  THR  37          3HG2      THR  37   2.363  -6.785  10.585
  297    H    ASN  38           H        ASN  38   1.845  -3.744   9.433
  298    HA   ASN  38           HA       ASN  38   4.541  -3.897  10.597
  299   1HB   ASN  38          1HB       ASN  38   4.062  -5.168   8.476
  300   2HB   ASN  38          2HB       ASN  38   3.760  -3.630   7.692
  301   1HD2  ASN  38          1HD2      ASN  38   5.818  -5.753   7.221
  302   2HD2  ASN  38          2HD2      ASN  38   7.328  -4.915   7.266
  303    H    LYS  39           H        LYS  39   5.821  -2.010  10.535
  304    HA   LYS  39           HA       LYS  39   4.327   0.425  10.599
  305   1HB   LYS  39          1HB       LYS  39   7.157  -0.357  11.273
  306   2HB   LYS  39          2HB       LYS  39   6.474   1.208  11.543
  307   1HG   LYS  39          1HG       LYS  39   5.064   0.461  13.255
  308   2HG   LYS  39          2HG       LYS  39   5.246  -1.224  12.753
  309   1HD   LYS  39          1HD       LYS  39   7.628  -1.116  13.416
  310   2HD   LYS  39          2HD       LYS  39   7.360   0.526  14.007
  311   1HE   LYS  39          1HE       LYS  39   5.750  -0.283  15.621
  312   2HE   LYS  39          2HE       LYS  39   5.897  -1.922  14.990
  313   1HZ   LYS  39          1HZ       LYS  39   8.266  -1.857  15.641
  314   2HZ   LYS  39          2HZ       LYS  39   7.205  -1.736  16.960
  315   3HZ   LYS  39          3HZ       LYS  39   7.999  -0.351  16.382
  316    H    ASP  40           H        ASP  40   6.533  -1.164   8.449
  317    HA   ASP  40           HA       ASP  40   6.984   1.381   7.028
  318   1HB   ASP  40          1HB       ASP  40   8.543  -1.205   6.998
  319   2HB   ASP  40          2HB       ASP  40   8.836   0.123   5.870
  320    H    TRP  41           H        TRP  41   5.469  -1.668   6.816
  321    HA   TRP  41           HA       TRP  41   4.732  -1.112   4.023
  322   1HB   TRP  41          1HB       TRP  41   5.451  -3.805   5.202
  323   2HB   TRP  41          2HB       TRP  41   4.757  -3.569   3.606
  324    HD1  TRP  41           HD1      TRP  41   7.996  -3.112   5.556
  325    HE1  TRP  41           HE1      TRP  41   9.919  -2.679   3.908
  326    HE3  TRP  41           HE3      TRP  41   5.278  -2.641   1.249
  327    HZ2  TRP  41           HZ2      TRP  41  10.242  -2.212   1.148
  328    HZ3  TRP  41           HZ3      TRP  41   6.472  -2.202  -0.848
  329    HH2  TRP  41           HH2      TRP  41   8.905  -1.993  -0.902
  330    H    TRP  42           H        TRP  42   2.603  -1.163   3.600
  331    HA   TRP  42           HA       TRP  42   0.853  -2.353   5.653
  332   1HB   TRP  42          1HB       TRP  42   0.602   0.225   4.122
  333   2HB   TRP  42          2HB       TRP  42  -0.840  -0.598   4.726
  334    HD1  TRP  42           HD1      TRP  42   1.800  -1.231   7.139
  335    HE1  TRP  42           HE1      TRP  42   1.662   0.349   9.152
  336    HE3  TRP  42           HE3      TRP  42  -1.410   2.235   5.226
  337    HZ2  TRP  42           HZ2      TRP  42   0.386   2.765   9.823
  338    HZ3  TRP  42           HZ3      TRP  42  -2.044   4.173   6.630
  339    HH2  TRP  42           HH2      TRP  42  -1.154   4.418   8.876
  340    H    LYS  43           H        LYS  43  -0.733  -3.709   5.003
  341    HA   LYS  43           HA       LYS  43  -0.650  -4.652   2.259
  342   1HB   LYS  43          1HB       LYS  43  -0.802  -6.176   4.266
  343   2HB   LYS  43          2HB       LYS  43  -2.418  -5.546   4.545
  344   1HG   LYS  43          1HG       LYS  43  -3.099  -6.387   2.311
  345   2HG   LYS  43          2HG       LYS  43  -1.510  -7.139   2.143
  346   1HD   LYS  43          1HD       LYS  43  -2.017  -8.286   4.369
  347   2HD   LYS  43          2HD       LYS  43  -3.678  -7.746   4.139
  348   1HE   LYS  43          1HE       LYS  43  -2.096  -9.620   2.383
  349   2HE   LYS  43          2HE       LYS  43  -3.511  -9.990   3.371
  350   1HZ   LYS  43          1HZ       LYS  43  -3.570  -8.116   1.077
  351   2HZ   LYS  43          2HZ       LYS  43  -4.895  -8.721   1.948
  352   3HZ   LYS  43          3HZ       LYS  43  -3.979  -9.755   0.968
  353    H    VAL  44           H        VAL  44  -1.941  -3.817   0.717
  354    HA   VAL  44           HA       VAL  44  -4.564  -2.762   1.528
  355    HB   VAL  44           HB       VAL  44  -4.256  -0.919  -0.174
  356   1HG1  VAL  44          1HG1      VAL  44  -2.456  -0.914   2.250
  357   2HG1  VAL  44          2HG1      VAL  44  -4.154  -0.440   2.197
  358   3HG1  VAL  44          3HG1      VAL  44  -2.946   0.519   1.345
  359   1HG2  VAL  44          1HG2      VAL  44  -1.942  -0.284  -0.726
  360   2HG2  VAL  44          2HG2      VAL  44  -2.386  -1.854  -1.399
  361   3HG2  VAL  44          3HG2      VAL  44  -1.369  -1.767   0.040
  362    H    GLU  45           H        GLU  45  -5.919  -2.272  -0.454
  363    HA   GLU  45           HA       GLU  45  -5.501  -4.292  -2.555
  364   1HB   GLU  45          1HB       GLU  45  -7.239  -4.934  -0.861
  365   2HB   GLU  45          2HB       GLU  45  -8.153  -3.509  -1.331
  366   1HG   GLU  45          1HG       GLU  45  -8.604  -4.360  -3.460
  367   2HG   GLU  45          2HG       GLU  45  -7.373  -5.612  -3.313
  368    H    VAL  46           H        VAL  46  -5.744  -3.586  -4.609
  369    HA   VAL  46           HA       VAL  46  -7.006  -0.950  -5.064
  370    HB   VAL  46           HB       VAL  46  -5.199  -1.356  -7.164
  371   1HG1  VAL  46          1HG1      VAL  46  -4.273   0.734  -6.534
  372   2HG1  VAL  46          2HG1      VAL  46  -4.867   0.558  -4.884
  373   3HG1  VAL  46          3HG1      VAL  46  -6.008   0.773  -6.213
  374   1HG2  VAL  46          1HG2      VAL  46  -3.847  -1.772  -4.523
  375   2HG2  VAL  46          2HG2      VAL  46  -3.023  -1.409  -6.041
  376   3HG2  VAL  46          3HG2      VAL  46  -3.941  -2.908  -5.871
  377    H    ASN  47           H        ASN  47  -8.694  -1.239  -6.271
  378    HA   ASN  47           HA       ASN  47 -10.186  -1.868  -7.787
  379   1HB   ASN  47          1HB       ASN  47  -9.453  -2.345 -10.038
  380   2HB   ASN  47          2HB       ASN  47  -8.554  -1.026  -9.368
  381   1HD2  ASN  47          1HD2      ASN  47  -6.332  -1.146  -9.350
  382   2HD2  ASN  47          2HD2      ASN  47  -5.453  -2.510  -9.938
  383    H    ASP  48           H        ASP  48  -7.720  -4.318  -7.841
  384    HA   ASP  48           HA       ASP  48  -9.578  -6.375  -7.003
  385   1HB   ASP  48          1HB       ASP  48  -9.947  -6.142  -9.503
  386   2HB   ASP  48          2HB       ASP  48  -8.296  -6.712  -9.721
  387    H    ARG  49           H        ARG  49  -6.477  -5.134  -7.341
  388    HA   ARG  49           HA       ARG  49  -5.163  -7.709  -6.879
  389   1HB   ARG  49          1HB       ARG  49  -3.995  -4.972  -7.411
  390   2HB   ARG  49          2HB       ARG  49  -3.053  -6.430  -7.148
  391   1HG   ARG  49          1HG       ARG  49  -4.981  -5.988  -9.422
  392   2HG   ARG  49          2HG       ARG  49  -3.227  -5.853  -9.519
  393   1HD   ARG  49          1HD       ARG  49  -3.569  -7.990 -10.311
  394   2HD   ARG  49          2HD       ARG  49  -3.255  -8.288  -8.603
  395    HE   ARG  49           HE       ARG  49  -6.053  -7.986  -9.251
  396   1HH1  ARG  49          1HH1      ARG  49  -3.378 -10.240  -9.044
  397   2HH1  ARG  49          2HH1      ARG  49  -4.406 -11.627  -8.833
  398   1HH2  ARG  49          1HH2      ARG  49  -7.408  -9.800  -8.949
  399   2HH2  ARG  49          2HH2      ARG  49  -6.688 -11.382  -8.779
  400    H    GLN  50           H        GLN  50  -4.155  -8.220  -5.029
  401    HA   GLN  50           HA       GLN  50  -4.344  -6.277  -2.819
  402   1HB   GLN  50          1HB       GLN  50  -4.646  -9.280  -2.795
  403   2HB   GLN  50          2HB       GLN  50  -4.368  -8.343  -1.336
  404   1HG   GLN  50          1HG       GLN  50  -6.438  -7.051  -1.886
  405   2HG   GLN  50          2HG       GLN  50  -6.727  -8.217  -3.178
  406   1HE2  GLN  50          1HE2      GLN  50  -8.751  -8.717  -1.997
  407   2HE2  GLN  50          2HE2      GLN  50  -8.675  -9.814  -0.662
  408    H    GLY  51           H        GLY  51  -2.574  -5.995  -1.539
  409   1HA   GLY  51          1HA       GLY  51  -0.442  -7.605  -1.234
  410   2HA   GLY  51          2HA       GLY  51  -0.004  -6.755  -2.644
  411    H    PHE  52           H        PHE  52   1.766  -6.206  -1.120
  412    HA   PHE  52           HA       PHE  52   1.061  -4.252   0.921
  413   1HB   PHE  52          1HB       PHE  52   3.522  -5.864   0.324
  414   2HB   PHE  52          2HB       PHE  52   3.529  -4.541   1.491
  415    HD1  PHE  52           HD1      PHE  52   3.010  -4.971   3.683
  416    HD2  PHE  52           HD2      PHE  52   1.657  -7.658   0.659
  417    HE1  PHE  52           HE1      PHE  52   2.166  -6.491   5.422
  418    HE2  PHE  52           HE2      PHE  52   0.809  -9.186   2.404
  419    HZ   PHE  52           HZ       PHE  52   1.059  -8.599   4.786
  420    H    VAL  53           H        VAL  53   1.944  -2.282   1.103
  421    HA   VAL  53           HA       VAL  53   3.643  -1.207  -1.023
  422    HB   VAL  53           HB       VAL  53   2.308   0.811  -1.223
  423   1HG1  VAL  53          1HG1      VAL  53   0.312  -0.070  -2.332
  424   2HG1  VAL  53          2HG1      VAL  53   0.609  -1.640  -1.583
  425   3HG1  VAL  53          3HG1      VAL  53   1.762  -0.988  -2.749
  426   1HG2  VAL  53          1HG2      VAL  53   0.458  -0.494   0.765
  427   2HG2  VAL  53          2HG2      VAL  53   0.057   0.945  -0.175
  428   3HG2  VAL  53          3HG2      VAL  53   1.391   0.990   0.980
  429    HA   PRO  54           HA       PRO  54   5.774   0.797   2.304
  430   1HB   PRO  54          1HB       PRO  54   5.572   3.337   0.774
  431   2HB   PRO  54          2HB       PRO  54   7.013   2.510   1.384
  432   1HG   PRO  54          1HG       PRO  54   6.435   2.473  -1.206
  433   2HG   PRO  54          2HG       PRO  54   7.057   1.016  -0.405
  434   1HD   PRO  54          1HD       PRO  54   4.249   1.694  -1.198
  435   2HD   PRO  54          2HD       PRO  54   5.113   0.147  -1.330
  436    H    ALA  55           H        ALA  55   4.892   1.442   4.191
  437    HA   ALA  55           HA       ALA  55   2.316   2.576   4.419
  438   1HB   ALA  55          1HB       ALA  55   2.978   2.971   6.801
  439   2HB   ALA  55          2HB       ALA  55   4.585   2.375   6.386
  440   3HB   ALA  55          3HB       ALA  55   3.183   1.309   6.238
  441    H    ALA  56           H        ALA  56   5.482   3.953   4.092
  442    HA   ALA  56           HA       ALA  56   4.805   6.601   4.924
  443   1HB   ALA  56          1HB       ALA  56   7.130   5.794   3.185
  444   2HB   ALA  56          2HB       ALA  56   7.116   5.608   4.940
  445   3HB   ALA  56          3HB       ALA  56   6.993   7.214   4.225
  446    H    TYR  57           H        TYR  57   3.882   4.858   2.291
  447    HA   TYR  57           HA       TYR  57   3.865   7.184   0.466
  448   1HB   TYR  57          1HB       TYR  57   3.733   4.210   0.007
  449   2HB   TYR  57          2HB       TYR  57   3.091   5.326  -1.201
  450    HD1  TYR  57           HD1      TYR  57   4.508   5.455  -2.995
  451    HD2  TYR  57           HD2      TYR  57   6.187   5.331   0.913
  452    HE1  TYR  57           HE1      TYR  57   6.750   5.722  -3.959
  453    HE2  TYR  57           HE2      TYR  57   8.429   5.617  -0.029
  454    HH   TYR  57           HH       TYR  57   9.649   5.487  -1.969
  455    H    VAL  58           H        VAL  58   2.017   5.938   2.759
  456    HA   VAL  58           HA       VAL  58  -0.457   6.585   1.345
  457    HB   VAL  58           HB       VAL  58   0.347   4.016   2.227
  458   1HG1  VAL  58          1HG1      VAL  58  -1.946   5.149   3.789
  459   2HG1  VAL  58          2HG1      VAL  58  -0.499   4.337   4.391
  460   3HG1  VAL  58          3HG1      VAL  58  -1.730   3.418   3.520
  461   1HG2  VAL  58          1HG2      VAL  58  -0.868   4.510   0.182
  462   2HG2  VAL  58          2HG2      VAL  58  -2.289   4.957   1.128
  463   3HG2  VAL  58          3HG2      VAL  58  -1.700   3.293   1.149
  464    H    LYS  59           H        LYS  59  -2.127   7.425   2.633
  465    HA   LYS  59           HA       LYS  59  -1.424   8.113   5.414
  466   1HB   LYS  59          1HB       LYS  59  -1.045  10.202   4.474
  467   2HB   LYS  59          2HB       LYS  59  -2.135   9.900   3.130
  468   1HG   LYS  59          1HG       LYS  59  -3.837  10.002   5.287
  469   2HG   LYS  59          2HG       LYS  59  -2.628  11.232   5.664
  470   1HD   LYS  59          1HD       LYS  59  -3.310  12.584   3.986
  471   2HD   LYS  59          2HD       LYS  59  -3.560  11.234   2.879
  472   1HE   LYS  59          1HE       LYS  59  -5.697  12.130   3.231
  473   2HE   LYS  59          2HE       LYS  59  -5.628  10.691   4.247
  474   1HZ   LYS  59          1HZ       LYS  59  -5.071  12.169   6.133
  475   2HZ   LYS  59          2HZ       LYS  59  -6.611  12.449   5.488
  476   3HZ   LYS  59          3HZ       LYS  59  -5.335  13.513   5.130
  477    H    LYS  60           H        LYS  60  -3.066   7.903   6.860
  478    HA   LYS  60           HA       LYS  60  -5.379   6.440   6.154
  479   1HB   LYS  60          1HB       LYS  60  -4.335   7.634   8.639
  480   2HB   LYS  60          2HB       LYS  60  -6.076   7.724   8.523
  481   1HG   LYS  60          1HG       LYS  60  -5.509   5.804   9.773
  482   2HG   LYS  60          2HG       LYS  60  -6.139   5.248   8.227
  483   1HD   LYS  60          1HD       LYS  60  -4.178   4.347   7.638
  484   2HD   LYS  60          2HD       LYS  60  -3.242   5.673   8.307
  485   1HE   LYS  60          1HE       LYS  60  -2.675   4.249   9.945
  486   2HE   LYS  60          2HE       LYS  60  -4.320   4.457  10.520
  487   1HZ   LYS  60          1HZ       LYS  60  -3.554   2.366   8.591
  488   2HZ   LYS  60          2HZ       LYS  60  -5.020   2.515   9.429
  489   3HZ   LYS  60          3HZ       LYS  60  -3.596   2.118  10.266
  490    H    LEU  61           H        LEU  61  -7.333   7.047   5.467
  491    HA   LEU  61           HA       LEU  61  -7.813   9.896   5.064
  492   1HB   LEU  61          1HB       LEU  61  -9.292   7.437   4.154
  493   2HB   LEU  61          2HB       LEU  61  -9.878   9.061   3.864
  494    HG   LEU  61           HG       LEU  61  -7.187   8.127   2.891
  495   1HD1  LEU  61          1HD1      LEU  61  -8.157   7.596   0.792
  496   2HD1  LEU  61          2HD1      LEU  61  -9.739   8.191   1.300
  497   3HD1  LEU  61          3HD1      LEU  61  -9.074   6.725   2.022
  498   1HD2  LEU  61          1HD2      LEU  61  -7.236  10.455   2.816
  499   2HD2  LEU  61          2HD2      LEU  61  -8.947  10.502   2.393
  500   3HD2  LEU  61          3HD2      LEU  61  -7.755   9.988   1.199
  501    H    ASP  62           H        ASP  62  -8.654   7.452   7.247
  502    HA   ASP  62           HA       ASP  62 -11.086   8.789   8.154
  503   1HB   ASP  62          1HB       ASP  62 -11.160   6.336   7.947
  504   2HB   ASP  62          2HB       ASP  62  -9.826   6.198   9.086
  505   1H    ACE   0          1H        ACE   0   3.454 -11.719   2.032
  506   2H    ACE   0          2H        ACE   0   4.895 -12.327   2.841
  507   3H    ACE   0          3H        ACE   0   4.998 -11.878   1.141
  508    H    ALA   1           H        ALA   1   4.821 -10.734   4.416
  509    HA   ALA   1           HA       ALA   1   4.904  -7.943   3.642
  510   1HB   ALA   1          1HB       ALA   1   5.013  -7.500   6.044
  511   2HB   ALA   1          2HB       ALA   1   5.179  -9.228   6.359
  512   3HB   ALA   1          3HB       ALA   1   3.690  -8.598   5.654
  513    HA   PRO   2           HA       PRO   2   9.358  -8.089   3.110
  514   1HB   PRO   2          1HB       PRO   2   8.966  -5.157   2.927
  515   2HB   PRO   2          2HB       PRO   2   9.734  -6.265   1.785
  516   1HG   PRO   2          1HG       PRO   2   7.342  -5.228   1.264
  517   2HG   PRO   2          2HG       PRO   2   7.712  -6.914   0.849
  518   1HD   PRO   2          1HD       PRO   2   6.159  -5.830   3.174
  519   2HD   PRO   2          2HD       PRO   2   5.800  -7.227   2.135
  520    H    SER   3           H        SER   3  10.922  -8.003   4.592
  521    HA   SER   3           HA       SER   3  10.415  -6.480   7.049
  522   1HB   SER   3          1HB       SER   3  12.510  -8.615   6.679
  523   2HB   SER   3          2HB       SER   3  11.777  -8.049   8.180
  524    HG   SER   3           HG       SER   3   9.750  -8.912   7.305
  525    H    TYR   4           H        TYR   4  11.149  -4.717   5.294
  526    HA   TYR   4           HA       TYR   4  13.748  -3.868   6.165
  527   1HB   TYR   4          1HB       TYR   4  14.599  -3.523   3.800
  528   2HB   TYR   4          2HB       TYR   4  14.595  -5.185   4.375
  529    HD1  TYR   4           HD1      TYR   4  12.880  -2.780   2.144
  530    HD2  TYR   4           HD2      TYR   4  13.282  -6.856   3.298
  531    HE1  TYR   4           HE1      TYR   4  11.589  -3.464   0.167
  532    HE2  TYR   4           HE2      TYR   4  11.993  -7.547   1.325
  533    HH   TYR   4           HH       TYR   4  10.470  -6.735  -0.250
  534    H    SER   5           H        SER   5  14.310  -1.715   5.001
  535    HA   SER   5           HA       SER   5  11.997  -0.027   5.293
  536   1HB   SER   5          1HB       SER   5  14.851   0.631   4.527
  537   2HB   SER   5          2HB       SER   5  13.608   1.813   4.939
  538    HG   SER   5           HG       SER   5  13.580   1.067   7.024
  539    HA   PRO   6           HA       PRO   6  10.921  -0.067   0.969
  540   1HB   PRO   6          1HB       PRO   6   9.086   1.935   1.079
  541   2HB   PRO   6          2HB       PRO   6   8.756   0.304   1.669
  542   1HG   PRO   6          1HG       PRO   6   9.533   2.753   3.204
  543   2HG   PRO   6          2HG       PRO   6   8.311   1.529   3.596
  544   1HD   PRO   6          1HD       PRO   6  10.765   1.556   4.731
  545   2HD   PRO   6          2HD       PRO   6   9.873   0.052   4.421
  546    HA   PRO   7           HA       PRO   7  13.333   3.028  -1.073
  547   1HB   PRO   7          1HB       PRO   7  11.512   3.834  -3.037
  548   2HB   PRO   7          2HB       PRO   7  12.639   2.482  -3.170
  549   1HG   PRO   7          1HG       PRO   7   9.743   2.476  -2.452
  550   2HG   PRO   7          2HG       PRO   7  10.669   1.306  -3.411
  551   1HD   PRO   7          1HD       PRO   7   9.963   0.779  -0.885
  552   2HD   PRO   7          2HD       PRO   7  11.539   0.262  -1.526
  553    HA   PRO   8           HA       PRO   8  12.208   6.733   1.115
  554   1HB   PRO   8          1HB       PRO   8  13.815   8.384  -0.484
  555   2HB   PRO   8          2HB       PRO   8  14.291   7.591   1.017
  556   1HG   PRO   8          1HG       PRO   8  14.780   6.766  -1.801
  557   2HG   PRO   8          2HG       PRO   8  15.807   6.563  -0.371
  558   1HD   PRO   8          1HD       PRO   8  14.438   4.507  -1.404
  559   2HD   PRO   8          2HD       PRO   8  14.648   4.686   0.352
  560    HA   PRO   9           HA       PRO   9   8.874   8.158  -1.477
  561   1HB   PRO   9          1HB       PRO   9   8.716  10.270   0.591
  562   2HB   PRO   9          2HB       PRO   9   7.474   9.143   0.037
  563   1HG   PRO   9          1HG       PRO   9   8.643   8.840   2.415
  564   2HG   PRO   9          2HG       PRO   9   8.226   7.435   1.415
  565   1HD   PRO   9          1HD       PRO   9  10.885   8.739   1.844
  566   2HD   PRO   9          2HD       PRO   9  10.478   7.013   1.723
  567    HA   PRO  10           HA       PRO  10  11.014  11.434  -3.633
  568   1HB   PRO  10          1HB       PRO  10   8.696  11.485  -5.404
  569   2HB   PRO  10          2HB       PRO  10  10.352  10.991  -5.757
  570   1HG   PRO  10          1HG       PRO  10   8.298   9.234  -5.654
  571   2HG   PRO  10          2HG       PRO  10   9.954   8.794  -5.197
  572   1HD   PRO  10          1HD       PRO  10   7.629   9.509  -3.447
  573   2HD   PRO  10          2HD       PRO  10   8.834   8.217  -3.244
  Start of MODEL   18
    1   1H    MET   1          1H        MET   1 -10.044  -8.402  -1.418
    2   2H    MET   1          2H        MET   1 -10.380  -7.326  -2.683
    3   3H    MET   1          3H        MET   1  -9.811  -8.884  -3.026
    4    HA   MET   1           HA       MET   1 -12.116  -8.856  -3.481
    5   1HB   MET   1          1HB       MET   1 -10.905 -10.594  -1.665
    6   2HB   MET   1          2HB       MET   1 -12.438 -10.175  -0.913
    7   1HG   MET   1          1HG       MET   1 -12.009 -11.398  -3.624
    8   2HG   MET   1          2HG       MET   1 -12.735 -12.154  -2.208
    9   1HE   MET   1          1HE       MET   1 -13.955 -11.944  -5.255
   10   2HE   MET   1          2HE       MET   1 -15.658 -11.747  -4.844
   11   3HE   MET   1          3HE       MET   1 -14.661 -12.897  -3.950
   12    H    ASP   2           H        ASP   2 -11.837  -6.294  -2.509
   13    HA   ASP   2           HA       ASP   2 -14.283  -6.061  -0.900
   14   1HB   ASP   2          1HB       ASP   2 -12.003  -5.766   0.426
   15   2HB   ASP   2          2HB       ASP   2 -12.037  -4.164  -0.309
   16    H    GLU   3           H        GLU   3 -14.424  -3.350  -0.709
   17    HA   GLU   3           HA       GLU   3 -13.926  -2.218  -3.368
   18   1HB   GLU   3          1HB       GLU   3 -16.670  -2.996  -2.456
   19   2HB   GLU   3          2HB       GLU   3 -16.518  -1.396  -3.184
   20   1HG   GLU   3          1HG       GLU   3 -15.380  -2.521  -5.126
   21   2HG   GLU   3          2HG       GLU   3 -15.857  -4.062  -4.408
   22    H    THR   4           H        THR   4 -12.572  -1.325  -1.427
   23    HA   THR   4           HA       THR   4 -12.065   0.330   0.056
   24    HB   THR   4           HB       THR   4 -12.925   2.639  -0.708
   25    HG1  THR   4           HG1      THR   4 -14.687   1.396  -1.980
   26   1HG2  THR   4          1HG2      THR   4 -11.490   2.609  -2.772
   27   2HG2  THR   4          2HG2      THR   4 -11.319   0.868  -2.555
   28   3HG2  THR   4          3HG2      THR   4 -10.710   1.976  -1.324
   29    H    GLY   5           H        GLY   5 -14.258  -1.215   0.971
   30   1HA   GLY   5          1HA       GLY   5 -15.948   0.838   2.261
   31   2HA   GLY   5          2HA       GLY   5 -16.426  -0.836   2.009
   32    H    LYS   6           H        LYS   6 -13.798   0.983   3.542
   33    HA   LYS   6           HA       LYS   6 -14.180   0.281   6.166
   34   1HB   LYS   6          1HB       LYS   6 -12.513  -1.497   6.540
   35   2HB   LYS   6          2HB       LYS   6 -13.882  -2.039   5.586
   36   1HG   LYS   6          1HG       LYS   6 -12.475  -1.697   3.540
   37   2HG   LYS   6          2HG       LYS   6 -11.116  -1.407   4.625
   38   1HD   LYS   6          1HD       LYS   6 -11.586  -3.801   3.636
   39   2HD   LYS   6          2HD       LYS   6 -10.984  -3.590   5.278
   40   1HE   LYS   6          1HE       LYS   6 -12.785  -5.218   5.240
   41   2HE   LYS   6          2HE       LYS   6 -13.277  -3.784   6.138
   42   1HZ   LYS   6          1HZ       LYS   6 -14.508  -3.039   4.193
   43   2HZ   LYS   6          2HZ       LYS   6 -15.034  -4.574   4.677
   44   3HZ   LYS   6          3HZ       LYS   6 -14.023  -4.415   3.327
   45    H    GLU   7           H        GLU   7 -11.333  -0.337   6.611
   46    HA   GLU   7           HA       GLU   7 -10.320   2.213   7.022
   47   1HB   GLU   7          1HB       GLU   7  -9.422  -0.443   7.370
   48   2HB   GLU   7          2HB       GLU   7  -8.164   0.389   6.478
   49   1HG   GLU   7          1HG       GLU   7  -9.086   0.747   9.257
   50   2HG   GLU   7          2HG       GLU   7  -7.467   0.826   8.580
   51    H    LEU   8           H        LEU   8  -9.813   3.718   5.574
   52    HA   LEU   8           HA       LEU   8  -8.765   2.812   2.985
   53   1HB   LEU   8          1HB       LEU   8 -10.443   5.223   3.616
   54   2HB   LEU   8          2HB       LEU   8  -9.680   4.936   2.061
   55    HG   LEU   8           HG       LEU   8 -11.660   3.092   3.354
   56   1HD1  LEU   8          1HD1      LEU   8 -13.244   3.887   1.640
   57   2HD1  LEU   8          2HD1      LEU   8 -12.072   5.109   1.150
   58   3HD1  LEU   8          3HD1      LEU   8 -12.778   5.160   2.766
   59   1HD2  LEU   8          1HD2      LEU   8 -10.206   1.903   1.877
   60   2HD2  LEU   8          2HD2      LEU   8 -10.429   3.115   0.612
   61   3HD2  LEU   8          3HD2      LEU   8 -11.777   2.089   1.098
   62    H    VAL   9           H        VAL   9  -7.272   4.044   1.941
   63    HA   VAL   9           HA       VAL   9  -5.810   6.008   3.558
   64    HB   VAL   9           HB       VAL   9  -3.669   4.957   2.568
   65   1HG1  VAL   9          1HG1      VAL   9  -5.188   3.614   4.786
   66   2HG1  VAL   9          2HG1      VAL   9  -4.114   5.011   4.921
   67   3HG1  VAL   9          3HG1      VAL   9  -3.459   3.433   4.479
   68   1HG2  VAL   9          1HG2      VAL   9  -5.522   2.588   2.438
   69   2HG2  VAL   9          2HG2      VAL   9  -3.769   2.533   2.261
   70   3HG2  VAL   9          3HG2      VAL   9  -4.749   3.389   1.069
   71    H    LEU  10           H        LEU  10  -4.341   7.291   2.325
   72    HA   LEU  10           HA       LEU  10  -5.239   7.614  -0.464
   73   1HB   LEU  10          1HB       LEU  10  -5.735   9.538   0.935
   74   2HB   LEU  10          2HB       LEU  10  -4.070   9.613   1.477
   75    HG   LEU  10           HG       LEU  10  -3.580   9.916  -1.094
   76   1HD1  LEU  10          1HD1      LEU  10  -5.399  11.324  -2.098
   77   2HD1  LEU  10          2HD1      LEU  10  -6.450  10.757  -0.803
   78   3HD1  LEU  10          3HD1      LEU  10  -5.767   9.605  -1.953
   79   1HD2  LEU  10          1HD2      LEU  10  -4.681  12.111   0.654
   80   2HD2  LEU  10          2HD2      LEU  10  -3.667  12.337  -0.772
   81   3HD2  LEU  10          3HD2      LEU  10  -3.018  11.518   0.652
   82    H    ALA  11           H        ALA  11  -3.770   7.383  -2.062
   83    HA   ALA  11           HA       ALA  11  -1.100   6.569  -1.367
   84   1HB   ALA  11          1HB       ALA  11  -1.864   7.110  -4.193
   85   2HB   ALA  11          2HB       ALA  11  -2.687   5.801  -3.341
   86   3HB   ALA  11          3HB       ALA  11  -0.932   5.776  -3.506
   87    H    LEU  12           H        LEU  12   0.240   8.150  -0.724
   88    HA   LEU  12           HA       LEU  12   0.117  10.843  -1.550
   89   1HB   LEU  12          1HB       LEU  12   2.128   9.198  -0.052
   90   2HB   LEU  12          2HB       LEU  12   2.482  10.862  -0.508
   91    HG   LEU  12           HG       LEU  12   0.396  11.546   0.708
   92   1HD1  LEU  12          1HD1      LEU  12  -0.780   9.460   0.747
   93   2HD1  LEU  12          2HD1      LEU  12  -0.474   9.997   2.399
   94   3HD1  LEU  12          3HD1      LEU  12   0.507   8.710   1.694
   95   1HD2  LEU  12          1HD2      LEU  12   1.433  11.368   2.945
   96   2HD2  LEU  12          2HD2      LEU  12   2.594  11.851   1.707
   97   3HD2  LEU  12          3HD2      LEU  12   2.575  10.190   2.298
   98    H    TYR  13           H        TYR  13   2.034   8.103  -2.681
   99    HA   TYR  13           HA       TYR  13   2.929   9.773  -4.908
  100   1HB   TYR  13          1HB       TYR  13   4.967   7.916  -3.769
  101   2HB   TYR  13          2HB       TYR  13   5.188   9.423  -4.646
  102    HD1  TYR  13           HD1      TYR  13   5.021  11.585  -3.451
  103    HD2  TYR  13           HD2      TYR  13   4.817   7.868  -1.392
  104    HE1  TYR  13           HE1      TYR  13   5.477  12.742  -1.327
  105    HE2  TYR  13           HE2      TYR  13   5.260   9.016   0.736
  106    HH   TYR  13           HH       TYR  13   5.018  12.311   1.152
  107    H    ASP  14           H        ASP  14   4.002   8.409  -6.598
  108    HA   ASP  14           HA       ASP  14   2.373   6.108  -7.117
  109   1HB   ASP  14          1HB       ASP  14   3.508   6.079  -9.317
  110   2HB   ASP  14          2HB       ASP  14   2.857   7.672  -8.947
  111    H    TYR  15           H        TYR  15   2.972   4.070  -6.986
  112    HA   TYR  15           HA       TYR  15   5.762   3.433  -6.342
  113   1HB   TYR  15          1HB       TYR  15   4.616   3.439  -4.218
  114   2HB   TYR  15          2HB       TYR  15   3.304   2.458  -4.869
  115    HD1  TYR  15           HD1      TYR  15   3.351   0.171  -4.481
  116    HD2  TYR  15           HD2      TYR  15   7.003   2.348  -4.408
  117    HE1  TYR  15           HE1      TYR  15   4.551  -1.874  -3.831
  118    HE2  TYR  15           HE2      TYR  15   8.214   0.310  -3.762
  119    HH   TYR  15           HH       TYR  15   6.655  -2.817  -3.727
  120    H    GLN  16           H        GLN  16   6.494   1.482  -7.132
  121    HA   GLN  16           HA       GLN  16   4.621   0.023  -8.891
  122   1HB   GLN  16          1HB       GLN  16   6.488   1.290 -10.026
  123   2HB   GLN  16          2HB       GLN  16   7.624   0.230  -9.206
  124   1HG   GLN  16          1HG       GLN  16   7.484  -0.982 -11.071
  125   2HG   GLN  16          2HG       GLN  16   5.988  -1.583 -10.359
  126   1HE2  GLN  16          1HE2      GLN  16   4.643   1.000 -10.733
  127   2HE2  GLN  16          2HE2      GLN  16   4.265   1.092 -12.416
  128    H    GLU  17           H        GLU  17   4.331  -2.081  -8.474
  129    HA   GLU  17           HA       GLU  17   5.371  -3.284  -6.154
  130   1HB   GLU  17          1HB       GLU  17   4.365  -5.377  -7.036
  131   2HB   GLU  17          2HB       GLU  17   3.256  -4.012  -7.065
  132   1HG   GLU  17          1HG       GLU  17   4.110  -3.747  -9.518
  133   2HG   GLU  17          2HG       GLU  17   4.569  -5.439  -9.323
  134    H    LYS  18           H        LYS  18   6.935  -4.858  -5.833
  135    HA   LYS  18           HA       LYS  18   8.864  -5.122  -8.047
  136   1HB   LYS  18          1HB       LYS  18   9.423  -5.437  -5.095
  137   2HB   LYS  18          2HB       LYS  18  10.607  -5.381  -6.397
  138   1HG   LYS  18          1HG       LYS  18  10.116  -3.044  -6.807
  139   2HG   LYS  18          2HG       LYS  18   8.795  -3.082  -5.638
  140   1HD   LYS  18          1HD       LYS  18  11.642  -3.703  -4.886
  141   2HD   LYS  18          2HD       LYS  18  10.983  -2.068  -4.848
  142   1HE   LYS  18          1HE       LYS  18  10.758  -2.861  -2.644
  143   2HE   LYS  18          2HE       LYS  18   9.150  -3.018  -3.349
  144   1HZ   LYS  18          1HZ       LYS  18  10.251  -4.969  -2.009
  145   2HZ   LYS  18          2HZ       LYS  18  10.956  -5.321  -3.509
  146   3HZ   LYS  18          3HZ       LYS  18   9.266  -5.277  -3.355
  147    H    SER  19           H        SER  19   7.333  -6.853  -5.366
  148    HA   SER  19           HA       SER  19   7.946  -9.370  -6.777
  149   1HB   SER  19          1HB       SER  19   7.968 -10.434  -4.494
  150   2HB   SER  19          2HB       SER  19   9.287  -9.288  -4.769
  151    HG   SER  19           HG       SER  19   7.945  -7.705  -3.675
  152    HA   PRO  20           HA       PRO  20   3.665 -10.514  -6.788
  153   1HB   PRO  20          1HB       PRO  20   4.322 -12.850  -5.049
  154   2HB   PRO  20          2HB       PRO  20   3.454 -12.806  -6.592
  155   1HG   PRO  20          1HG       PRO  20   5.932 -13.661  -6.551
  156   2HG   PRO  20          2HG       PRO  20   5.440 -12.515  -7.818
  157   1HD   PRO  20          1HD       PRO  20   6.932 -11.987  -5.266
  158   2HD   PRO  20          2HD       PRO  20   7.289 -11.404  -6.910
  159    H    ALA  21           H        ALA  21   5.195  -9.985  -3.768
  160    HA   ALA  21           HA       ALA  21   2.670 -10.103  -2.311
  161   1HB   ALA  21          1HB       ALA  21   4.047  -9.669  -0.307
  162   2HB   ALA  21          2HB       ALA  21   5.482  -9.638  -1.335
  163   3HB   ALA  21          3HB       ALA  21   4.539 -11.122  -1.182
  164    H    GLU  22           H        GLU  22   3.993  -8.002  -4.295
  165    HA   GLU  22           HA       GLU  22   3.185  -5.667  -2.684
  166   1HB   GLU  22          1HB       GLU  22   5.456  -6.023  -4.610
  167   2HB   GLU  22          2HB       GLU  22   4.679  -4.453  -4.511
  168   1HG   GLU  22          1HG       GLU  22   5.958  -3.957  -2.772
  169   2HG   GLU  22          2HG       GLU  22   5.230  -5.273  -1.854
  170    H    VAL  23           H        VAL  23   2.174  -3.923  -3.862
  171    HA   VAL  23           HA       VAL  23   1.079  -4.687  -6.475
  172    HB   VAL  23           HB       VAL  23  -1.090  -3.502  -5.734
  173   1HG1  VAL  23          1HG1      VAL  23  -0.386  -6.235  -4.717
  174   2HG1  VAL  23          2HG1      VAL  23  -1.080  -5.818  -6.287
  175   3HG1  VAL  23          3HG1      VAL  23  -2.024  -5.588  -4.814
  176   1HG2  VAL  23          1HG2      VAL  23  -0.963  -2.615  -3.686
  177   2HG2  VAL  23          2HG2      VAL  23   0.328  -3.702  -3.180
  178   3HG2  VAL  23          3HG2      VAL  23  -1.345  -4.250  -3.149
  179    H    THR  24           H        THR  24   0.502  -2.934  -7.816
  180    HA   THR  24           HA       THR  24   2.141  -0.587  -7.300
  181    HB   THR  24           HB       THR  24   0.681  -1.526  -9.771
  182    HG1  THR  24           HG1      THR  24   2.450  -2.684  -9.855
  183   1HG2  THR  24          1HG2      THR  24   1.710   0.256 -10.994
  184   2HG2  THR  24          2HG2      THR  24   2.589   0.799  -9.564
  185   3HG2  THR  24          3HG2      THR  24   0.834   0.966  -9.640
  186    H    MET  25           H        MET  25   1.419   1.435  -6.990
  187    HA   MET  25           HA       MET  25  -1.463   1.954  -7.195
  188   1HB   MET  25          1HB       MET  25  -1.477   3.172  -5.104
  189   2HB   MET  25          2HB       MET  25  -0.877   1.537  -4.815
  190   1HG   MET  25          1HG       MET  25   1.333   2.283  -4.543
  191   2HG   MET  25          2HG       MET  25   0.967   3.864  -5.237
  192   1HE   MET  25          1HE       MET  25  -1.637   2.316  -2.895
  193   2HE   MET  25          2HE       MET  25  -1.063   2.725  -1.277
  194   3HE   MET  25          3HE       MET  25  -0.213   1.512  -2.231
  195    H    LYS  26           H        LYS  26  -1.917   4.349  -7.134
  196    HA   LYS  26           HA       LYS  26   0.276   5.887  -8.342
  197   1HB   LYS  26          1HB       LYS  26  -2.583   5.768  -9.343
  198   2HB   LYS  26          2HB       LYS  26  -1.385   6.925  -9.897
  199   1HG   LYS  26          1HG       LYS  26  -1.152   5.402 -11.544
  200   2HG   LYS  26          2HG       LYS  26  -0.028   4.688 -10.387
  201   1HD   LYS  26          1HD       LYS  26  -1.722   3.146  -9.628
  202   2HD   LYS  26          2HD       LYS  26  -2.934   3.919 -10.650
  203   1HE   LYS  26          1HE       LYS  26  -1.579   3.285 -12.634
  204   2HE   LYS  26          2HE       LYS  26  -0.489   2.405 -11.564
  205   1HZ   LYS  26          1HZ       LYS  26  -3.379   1.813 -11.568
  206   2HZ   LYS  26          2HZ       LYS  26  -2.087   0.814 -11.109
  207   3HZ   LYS  26          3HZ       LYS  26  -2.369   1.138 -12.748
  208    H    LYS  27           H        LYS  27   0.218   8.122  -7.968
  209    HA   LYS  27           HA       LYS  27  -0.751   8.928  -5.458
  210   1HB   LYS  27          1HB       LYS  27   0.987  10.286  -6.079
  211   2HB   LYS  27          2HB       LYS  27   0.535  10.287  -7.777
  212   1HG   LYS  27          1HG       LYS  27  -0.242  12.342  -7.503
  213   2HG   LYS  27          2HG       LYS  27  -1.506  11.679  -6.470
  214   1HD   LYS  27          1HD       LYS  27  -0.527  13.304  -5.136
  215   2HD   LYS  27          2HD       LYS  27   0.261  11.818  -4.601
  216   1HE   LYS  27          1HE       LYS  27   2.119  12.355  -6.204
  217   2HE   LYS  27          2HE       LYS  27   1.359  13.926  -6.447
  218   1HZ   LYS  27          1HZ       LYS  27   3.101  14.057  -4.797
  219   2HZ   LYS  27          2HZ       LYS  27   2.352  12.853  -3.868
  220   3HZ   LYS  27          3HZ       LYS  27   1.592  14.351  -4.074
  221    H    GLY  28           H        GLY  28  -2.641   9.749  -4.794
  222   1HA   GLY  28          1HA       GLY  28  -4.631  11.082  -5.044
  223   2HA   GLY  28          2HA       GLY  28  -4.472  10.905  -6.793
  224    H    ASP  29           H        ASP  29  -3.948   7.934  -5.467
  225    HA   ASP  29           HA       ASP  29  -6.681   7.119  -6.108
  226   1HB   ASP  29          1HB       ASP  29  -4.115   5.984  -6.655
  227   2HB   ASP  29          2HB       ASP  29  -5.016   4.862  -5.626
  228    H    ILE  30           H        ILE  30  -7.973   6.069  -4.696
  229    HA   ILE  30           HA       ILE  30  -7.105   6.112  -1.911
  230    HB   ILE  30           HB       ILE  30  -9.804   5.946  -3.239
  231   1HG1  ILE  30          1HG1      ILE  30 -10.334   7.842  -1.808
  232   2HG1  ILE  30          2HG1      ILE  30  -8.801   7.685  -0.967
  233   1HG2  ILE  30          1HG2      ILE  30  -9.251   5.280  -0.348
  234   2HG2  ILE  30          2HG2      ILE  30  -9.855   4.175  -1.584
  235   3HG2  ILE  30          3HG2      ILE  30 -10.850   5.531  -1.052
  236   1HD1  ILE  30          1HD1      ILE  30  -8.651   9.523  -2.463
  237   2HD1  ILE  30          2HD1      ILE  30  -9.249   8.554  -3.809
  238   3HD1  ILE  30          3HD1      ILE  30  -7.658   8.220  -3.123
  239    H    LEU  31           H        LEU  31  -6.390   4.366  -0.976
  240    HA   LEU  31           HA       LEU  31  -6.822   1.752  -2.256
  241   1HB   LEU  31          1HB       LEU  31  -4.667   2.922  -0.570
  242   2HB   LEU  31          2HB       LEU  31  -4.919   1.199  -0.507
  243    HG   LEU  31           HG       LEU  31  -3.110   2.062  -2.066
  244   1HD1  LEU  31          1HD1      LEU  31  -5.262   0.246  -3.111
  245   2HD1  LEU  31          2HD1      LEU  31  -3.827  -0.207  -2.188
  246   3HD1  LEU  31          3HD1      LEU  31  -3.663   0.420  -3.829
  247   1HD2  LEU  31          1HD2      LEU  31  -5.485   2.786  -3.772
  248   2HD2  LEU  31          2HD2      LEU  31  -3.797   2.787  -4.284
  249   3HD2  LEU  31          3HD2      LEU  31  -4.344   3.922  -3.048
  250    H    THR  32           H        THR  32  -7.403  -0.037  -1.018
  251    HA   THR  32           HA       THR  32  -8.853   0.579   1.439
  252    HB   THR  32           HB       THR  32  -8.783  -2.135   0.145
  253    HG1  THR  32           HG1      THR  32  -9.845  -1.406  -1.516
  254   1HG2  THR  32          1HG2      THR  32 -10.431  -0.689   2.128
  255   2HG2  THR  32          2HG2      THR  32 -10.013  -2.405   2.030
  256   3HG2  THR  32          3HG2      THR  32 -11.300  -1.748   1.013
  257    H    LEU  33           H        LEU  33  -7.967   0.157   3.371
  258    HA   LEU  33           HA       LEU  33  -5.414  -1.167   3.516
  259   1HB   LEU  33          1HB       LEU  33  -7.028   0.503   5.231
  260   2HB   LEU  33          2HB       LEU  33  -6.391  -0.869   6.111
  261    HG   LEU  33           HG       LEU  33  -4.813   1.234   4.645
  262   1HD1  LEU  33          1HD1      LEU  33  -5.009   0.484   7.555
  263   2HD1  LEU  33          2HD1      LEU  33  -5.691   1.923   6.800
  264   3HD1  LEU  33          3HD1      LEU  33  -3.939   1.709   6.876
  265   1HD2  LEU  33          1HD2      LEU  33  -3.714  -0.926   4.344
  266   2HD2  LEU  33          2HD2      LEU  33  -3.796  -1.222   6.079
  267   3HD2  LEU  33          3HD2      LEU  33  -2.797   0.093   5.455
  268    H    LEU  34           H        LEU  34  -5.095  -3.245   3.816
  269    HA   LEU  34           HA       LEU  34  -7.336  -4.906   4.734
  270   1HB   LEU  34          1HB       LEU  34  -4.791  -5.793   3.378
  271   2HB   LEU  34          2HB       LEU  34  -6.229  -6.753   3.651
  272    HG   LEU  34           HG       LEU  34  -6.034  -4.380   1.793
  273   1HD1  LEU  34          1HD1      LEU  34  -4.846  -6.560   1.186
  274   2HD1  LEU  34          2HD1      LEU  34  -5.975  -5.882   0.013
  275   3HD1  LEU  34          3HD1      LEU  34  -6.463  -7.245   1.022
  276   1HD2  LEU  34          1HD2      LEU  34  -8.280  -5.431   1.024
  277   2HD2  LEU  34          2HD2      LEU  34  -8.259  -4.386   2.443
  278   3HD2  LEU  34          3HD2      LEU  34  -8.304  -6.141   2.638
  279    H    ASN  35           H        ASN  35  -3.946  -4.156   5.232
  280    HA   ASN  35           HA       ASN  35  -4.118  -4.970   7.999
  281   1HB   ASN  35          1HB       ASN  35  -3.483  -7.057   6.646
  282   2HB   ASN  35          2HB       ASN  35  -1.959  -6.239   6.320
  283   1HD2  ASN  35          1HD2      ASN  35  -3.871  -7.905   8.646
  284   2HD2  ASN  35          2HD2      ASN  35  -2.671  -7.966   9.900
  285    H    SER  36           H        SER  36  -2.738  -3.791   9.265
  286    HA   SER  36           HA       SER  36  -0.556  -2.342   7.954
  287   1HB   SER  36          1HB       SER  36  -1.326  -0.281   9.278
  288   2HB   SER  36          2HB       SER  36  -2.268  -0.716   7.846
  289    HG   SER  36           HG       SER  36  -2.887  -1.251  10.575
  290    H    THR  37           H        THR  37  -0.672  -4.607   9.841
  291    HA   THR  37           HA       THR  37  -0.010  -3.655  12.437
  292    HB   THR  37           HB       THR  37  -0.866  -5.978  11.794
  293    HG1  THR  37           HG1      THR  37   0.015  -5.198  13.910
  294   1HG2  THR  37          1HG2      THR  37   2.091  -6.393  11.344
  295   2HG2  THR  37          2HG2      THR  37   0.792  -6.644  10.175
  296   3HG2  THR  37          3HG2      THR  37   0.926  -7.695  11.583
  297    H    ASN  38           H        ASN  38   1.673  -3.657   9.554
  298    HA   ASN  38           HA       ASN  38   4.327  -3.764  10.779
  299   1HB   ASN  38          1HB       ASN  38   3.785  -4.991   8.641
  300   2HB   ASN  38          2HB       ASN  38   3.548  -3.436   7.867
  301   1HD2  ASN  38          1HD2      ASN  38   5.463  -5.581   7.261
  302   2HD2  ASN  38          2HD2      ASN  38   7.032  -4.859   7.352
  303    H    LYS  39           H        LYS  39   5.771  -1.910  10.502
  304    HA   LYS  39           HA       LYS  39   4.237   0.584  10.489
  305   1HB   LYS  39          1HB       LYS  39   6.238   1.596  11.583
  306   2HB   LYS  39          2HB       LYS  39   5.459   0.327  12.509
  307   1HG   LYS  39          1HG       LYS  39   7.244  -1.086  12.335
  308   2HG   LYS  39          2HG       LYS  39   7.764  -0.417  10.786
  309   1HD   LYS  39          1HD       LYS  39   7.928   1.148  13.336
  310   2HD   LYS  39          2HD       LYS  39   9.224   0.071  12.807
  311   1HE   LYS  39          1HE       LYS  39   9.050   1.375  10.575
  312   2HE   LYS  39          2HE       LYS  39   8.215   2.589  11.543
  313   1HZ   LYS  39          1HZ       LYS  39  10.952   1.544  12.036
  314   2HZ   LYS  39          2HZ       LYS  39  10.149   2.682  13.000
  315   3HZ   LYS  39          3HZ       LYS  39  10.563   3.071  11.403
  316    H    ASP  40           H        ASP  40   6.174  -1.120   8.364
  317    HA   ASP  40           HA       ASP  40   6.869   1.394   6.987
  318   1HB   ASP  40          1HB       ASP  40   8.459  -1.126   7.313
  319   2HB   ASP  40          2HB       ASP  40   8.706  -0.099   5.900
  320    H    TRP  41           H        TRP  41   5.362  -1.689   6.722
  321    HA   TRP  41           HA       TRP  41   4.735  -1.117   3.915
  322   1HB   TRP  41          1HB       TRP  41   5.546  -3.782   5.096
  323   2HB   TRP  41          2HB       TRP  41   4.793  -3.605   3.522
  324    HD1  TRP  41           HD1      TRP  41   8.079  -2.977   5.356
  325    HE1  TRP  41           HE1      TRP  41   9.928  -2.550   3.618
  326    HE3  TRP  41           HE3      TRP  41   5.181  -2.683   1.144
  327    HZ2  TRP  41           HZ2      TRP  41  10.127  -2.135   0.829
  328    HZ3  TRP  41           HZ3      TRP  41   6.282  -2.267  -1.017
  329    HH2  TRP  41           HH2      TRP  41   8.705  -1.999  -1.167
  330    H    TRP  42           H        TRP  42   2.606  -1.153   3.489
  331    HA   TRP  42           HA       TRP  42   0.844  -2.447   5.469
  332   1HB   TRP  42          1HB       TRP  42   0.546   0.172   4.007
  333   2HB   TRP  42          2HB       TRP  42  -0.867  -0.683   4.631
  334    HD1  TRP  42           HD1      TRP  42   1.802  -1.312   6.992
  335    HE1  TRP  42           HE1      TRP  42   1.704   0.267   9.012
  336    HE3  TRP  42           HE3      TRP  42  -1.439   2.129   5.135
  337    HZ2  TRP  42           HZ2      TRP  42   0.410   2.678   9.706
  338    HZ3  TRP  42           HZ3      TRP  42  -2.071   4.056   6.539
  339    HH2  TRP  42           HH2      TRP  42  -1.160   4.316   8.776
  340    H    LYS  43           H        LYS  43  -0.759  -3.748   4.719
  341    HA   LYS  43           HA       LYS  43  -0.593  -4.446   1.894
  342   1HB   LYS  43          1HB       LYS  43  -0.574  -6.238   3.649
  343   2HB   LYS  43          2HB       LYS  43  -2.218  -5.776   4.073
  344   1HG   LYS  43          1HG       LYS  43  -3.005  -6.388   1.863
  345   2HG   LYS  43          2HG       LYS  43  -1.356  -6.748   1.352
  346   1HD   LYS  43          1HD       LYS  43  -3.098  -8.609   2.259
  347   2HD   LYS  43          2HD       LYS  43  -1.347  -8.769   2.345
  348   1HE   LYS  43          1HE       LYS  43  -1.450  -7.767   4.635
  349   2HE   LYS  43          2HE       LYS  43  -3.215  -7.842   4.528
  350   1HZ   LYS  43          1HZ       LYS  43  -2.997 -10.261   4.169
  351   2HZ   LYS  43          2HZ       LYS  43  -2.438  -9.758   5.690
  352   3HZ   LYS  43          3HZ       LYS  43  -1.330 -10.140   4.460
  353    H    VAL  44           H        VAL  44  -1.975  -3.675   0.472
  354    HA   VAL  44           HA       VAL  44  -4.634  -2.811   1.371
  355    HB   VAL  44           HB       VAL  44  -4.417  -0.879  -0.266
  356   1HG1  VAL  44          1HG1      VAL  44  -4.352  -0.534   2.149
  357   2HG1  VAL  44          2HG1      VAL  44  -3.245   0.564   1.327
  358   3HG1  VAL  44          3HG1      VAL  44  -2.618  -0.859   2.158
  359   1HG2  VAL  44          1HG2      VAL  44  -1.487  -1.567  -0.033
  360   2HG2  VAL  44          2HG2      VAL  44  -2.143  -0.101  -0.763
  361   3HG2  VAL  44          3HG2      VAL  44  -2.472  -1.672  -1.494
  362    H    GLU  45           H        GLU  45  -6.065  -2.359  -0.559
  363    HA   GLU  45           HA       GLU  45  -5.514  -4.301  -2.709
  364   1HB   GLU  45          1HB       GLU  45  -7.304  -5.113  -1.230
  365   2HB   GLU  45          2HB       GLU  45  -8.171  -3.598  -1.426
  366   1HG   GLU  45          1HG       GLU  45  -7.992  -4.298  -3.995
  367   2HG   GLU  45          2HG       GLU  45  -7.938  -5.900  -3.261
  368    H    VAL  46           H        VAL  46  -5.537  -3.526  -4.712
  369    HA   VAL  46           HA       VAL  46  -6.841  -0.918  -5.201
  370    HB   VAL  46           HB       VAL  46  -5.066  -1.393  -7.302
  371   1HG1  VAL  46          1HG1      VAL  46  -4.666   0.496  -5.016
  372   2HG1  VAL  46          2HG1      VAL  46  -5.807   0.745  -6.338
  373   3HG1  VAL  46          3HG1      VAL  46  -4.076   0.660  -6.671
  374   1HG2  VAL  46          1HG2      VAL  46  -2.887  -1.543  -6.195
  375   2HG2  VAL  46          2HG2      VAL  46  -3.859  -3.002  -6.014
  376   3HG2  VAL  46          3HG2      VAL  46  -3.707  -1.868  -4.668
  377    H    ASN  47           H        ASN  47  -8.573  -1.221  -6.336
  378    HA   ASN  47           HA       ASN  47 -10.102  -1.829  -7.822
  379   1HB   ASN  47          1HB       ASN  47  -9.437  -2.298 -10.070
  380   2HB   ASN  47          2HB       ASN  47  -8.431  -1.047  -9.427
  381   1HD2  ASN  47          1HD2      ASN  47  -6.220  -1.335  -9.456
  382   2HD2  ASN  47          2HD2      ASN  47  -5.465  -2.752 -10.092
  383    H    ASP  48           H        ASP  48  -7.675  -4.317  -7.858
  384    HA   ASP  48           HA       ASP  48  -9.523  -6.337  -6.930
  385   1HB   ASP  48          1HB       ASP  48  -9.990  -6.147  -9.409
  386   2HB   ASP  48          2HB       ASP  48  -8.343  -6.709  -9.687
  387    H    ARG  49           H        ARG  49  -6.444  -5.119  -7.362
  388    HA   ARG  49           HA       ARG  49  -5.109  -7.686  -6.917
  389   1HB   ARG  49          1HB       ARG  49  -3.975  -4.948  -7.523
  390   2HB   ARG  49          2HB       ARG  49  -3.019  -6.403  -7.292
  391   1HG   ARG  49          1HG       ARG  49  -5.047  -5.988  -9.486
  392   2HG   ARG  49          2HG       ARG  49  -3.303  -5.826  -9.659
  393   1HD   ARG  49          1HD       ARG  49  -3.610  -7.968 -10.413
  394   2HD   ARG  49          2HD       ARG  49  -3.271  -8.261  -8.711
  395    HE   ARG  49           HE       ARG  49  -6.081  -7.995  -9.287
  396   1HH1  ARG  49          1HH1      ARG  49  -3.369 -10.215  -9.255
  397   2HH1  ARG  49          2HH1      ARG  49  -4.369 -11.617  -9.035
  398   1HH2  ARG  49          1HH2      ARG  49  -7.397  -9.841  -9.028
  399   2HH2  ARG  49          2HH2      ARG  49  -6.646 -11.413  -8.935
  400    H    GLN  50           H        GLN  50  -4.415  -8.260  -4.981
  401    HA   GLN  50           HA       GLN  50  -4.384  -6.225  -2.854
  402   1HB   GLN  50          1HB       GLN  50  -4.652  -9.231  -2.649
  403   2HB   GLN  50          2HB       GLN  50  -4.581  -8.133  -1.282
  404   1HG   GLN  50          1HG       GLN  50  -6.650  -7.032  -2.231
  405   2HG   GLN  50          2HG       GLN  50  -6.763  -8.408  -3.322
  406   1HE2  GLN  50          1HE2      GLN  50  -5.600 -10.142  -1.210
  407   2HE2  GLN  50          2HE2      GLN  50  -6.901 -10.462  -0.116
  408    H    GLY  51           H        GLY  51  -2.570  -5.920  -1.652
  409   1HA   GLY  51          1HA       GLY  51  -0.489  -7.618  -1.312
  410   2HA   GLY  51          2HA       GLY  51  -0.032  -6.797  -2.731
  411    H    PHE  52           H        PHE  52   1.774  -6.190  -1.283
  412    HA   PHE  52           HA       PHE  52   1.069  -4.247   0.775
  413   1HB   PHE  52          1HB       PHE  52   3.592  -5.770   0.174
  414   2HB   PHE  52          2HB       PHE  52   3.495  -4.501   1.396
  415    HD1  PHE  52           HD1      PHE  52   2.824  -4.994   3.542
  416    HD2  PHE  52           HD2      PHE  52   1.963  -7.738   0.392
  417    HE1  PHE  52           HE1      PHE  52   2.043  -6.646   5.198
  418    HE2  PHE  52           HE2      PHE  52   1.185  -9.392   2.050
  419    HZ   PHE  52           HZ       PHE  52   1.232  -8.845   4.449
  420    H    VAL  53           H        VAL  53   1.903  -2.263   0.925
  421    HA   VAL  53           HA       VAL  53   3.610  -1.202  -1.203
  422    HB   VAL  53           HB       VAL  53   2.279   0.816  -1.424
  423   1HG1  VAL  53          1HG1      VAL  53   0.530  -1.609  -1.741
  424   2HG1  VAL  53          2HG1      VAL  53   1.714  -1.024  -2.912
  425   3HG1  VAL  53          3HG1      VAL  53   0.294  -0.049  -2.532
  426   1HG2  VAL  53          1HG2      VAL  53  -0.030   0.867  -0.372
  427   2HG2  VAL  53          2HG2      VAL  53   1.338   1.119   0.712
  428   3HG2  VAL  53          3HG2      VAL  53   0.525  -0.446   0.669
  429    HA   PRO  54           HA       PRO  54   5.766   0.729   2.148
  430   1HB   PRO  54          1HB       PRO  54   5.612   3.272   0.615
  431   2HB   PRO  54          2HB       PRO  54   7.038   2.436   1.249
  432   1HG   PRO  54          1HG       PRO  54   6.494   2.392  -1.347
  433   2HG   PRO  54          2HG       PRO  54   7.091   0.933  -0.533
  434   1HD   PRO  54          1HD       PRO  54   4.307   1.634  -1.384
  435   2HD   PRO  54          2HD       PRO  54   5.154   0.073  -1.475
  436    H    ALA  55           H        ALA  55   4.846   1.316   4.014
  437    HA   ALA  55           HA       ALA  55   2.303   2.507   4.253
  438   1HB   ALA  55          1HB       ALA  55   2.949   2.841   6.633
  439   2HB   ALA  55          2HB       ALA  55   4.573   2.290   6.221
  440   3HB   ALA  55          3HB       ALA  55   3.198   1.195   6.051
  441    H    ALA  56           H        ALA  56   5.519   3.799   3.995
  442    HA   ALA  56           HA       ALA  56   4.943   6.458   4.841
  443   1HB   ALA  56          1HB       ALA  56   7.143   6.990   4.085
  444   2HB   ALA  56          2HB       ALA  56   7.204   5.556   3.060
  445   3HB   ALA  56          3HB       ALA  56   7.208   5.387   4.817
  446    H    TYR  57           H        TYR  57   4.013   4.763   2.139
  447    HA   TYR  57           HA       TYR  57   3.943   7.163   0.413
  448   1HB   TYR  57          1HB       TYR  57   3.785   4.211  -0.166
  449   2HB   TYR  57          2HB       TYR  57   3.164   5.384  -1.324
  450    HD1  TYR  57           HD1      TYR  57   4.582   5.547  -3.116
  451    HD2  TYR  57           HD2      TYR  57   6.254   5.258   0.787
  452    HE1  TYR  57           HE1      TYR  57   6.832   5.794  -4.063
  453    HE2  TYR  57           HE2      TYR  57   8.502   5.515  -0.148
  454    HH   TYR  57           HH       TYR  57   9.720   5.539  -2.015
  455    H    VAL  58           H        VAL  58   2.141   5.758   2.669
  456    HA   VAL  58           HA       VAL  58  -0.357   6.530   1.364
  457    HB   VAL  58           HB       VAL  58   0.447   3.893   2.019
  458   1HG1  VAL  58          1HG1      VAL  58  -1.779   4.913   3.740
  459   2HG1  VAL  58          2HG1      VAL  58  -0.326   4.035   4.222
  460   3HG1  VAL  58          3HG1      VAL  58  -1.598   3.213   3.316
  461   1HG2  VAL  58          1HG2      VAL  58  -1.708   3.292   1.006
  462   2HG2  VAL  58          2HG2      VAL  58  -0.796   4.464   0.054
  463   3HG2  VAL  58          3HG2      VAL  58  -2.167   4.996   1.032
  464    H    LYS  59           H        LYS  59  -1.992   7.273   2.793
  465    HA   LYS  59           HA       LYS  59  -1.201   7.631   5.591
  466   1HB   LYS  59          1HB       LYS  59  -0.732   9.821   5.201
  467   2HB   LYS  59          2HB       LYS  59  -1.366   9.720   3.569
  468   1HG   LYS  59          1HG       LYS  59  -3.408   9.822   5.671
  469   2HG   LYS  59          2HG       LYS  59  -2.398  11.258   5.530
  470   1HD   LYS  59          1HD       LYS  59  -3.024  11.608   3.286
  471   2HD   LYS  59          2HD       LYS  59  -3.707   9.988   3.143
  472   1HE   LYS  59          1HE       LYS  59  -5.514  11.532   3.304
  473   2HE   LYS  59          2HE       LYS  59  -5.425  10.646   4.825
  474   1HZ   LYS  59          1HZ       LYS  59  -4.158  13.299   4.458
  475   2HZ   LYS  59          2HZ       LYS  59  -4.498  12.490   5.913
  476   3HZ   LYS  59          3HZ       LYS  59  -5.765  13.120   4.977
  477    H    LYS  60           H        LYS  60  -2.802   7.554   7.031
  478    HA   LYS  60           HA       LYS  60  -5.245   6.310   6.405
  479   1HB   LYS  60          1HB       LYS  60  -4.018   7.394   8.843
  480   2HB   LYS  60          2HB       LYS  60  -5.736   7.721   8.782
  481   1HG   LYS  60          1HG       LYS  60  -5.295   5.726  10.042
  482   2HG   LYS  60          2HG       LYS  60  -6.190   5.315   8.587
  483   1HD   LYS  60          1HD       LYS  60  -4.404   4.249   7.642
  484   2HD   LYS  60          2HD       LYS  60  -3.222   5.181   8.544
  485   1HE   LYS  60          1HE       LYS  60  -3.298   2.872   9.352
  486   2HE   LYS  60          2HE       LYS  60  -3.875   3.971  10.587
  487   1HZ   LYS  60          1HZ       LYS  60  -5.836   2.980  10.630
  488   2HZ   LYS  60          2HZ       LYS  60  -5.196   1.762   9.640
  489   3HZ   LYS  60          3HZ       LYS  60  -6.020   3.074   8.946
  490    H    LEU  61           H        LEU  61  -7.147   7.061   5.735
  491    HA   LEU  61           HA       LEU  61  -7.361   9.882   5.116
  492   1HB   LEU  61          1HB       LEU  61  -9.067   7.479   4.588
  493   2HB   LEU  61          2HB       LEU  61  -9.732   9.087   4.371
  494    HG   LEU  61           HG       LEU  61  -7.187   8.265   3.003
  495   1HD1  LEU  61          1HD1      LEU  61  -9.959   7.465   2.390
  496   2HD1  LEU  61          2HD1      LEU  61  -8.431   6.676   1.994
  497   3HD1  LEU  61          3HD1      LEU  61  -8.989   8.049   1.040
  498   1HD2  LEU  61          1HD2      LEU  61  -9.225  10.437   2.650
  499   2HD2  LEU  61          2HD2      LEU  61  -8.147   9.967   1.338
  500   3HD2  LEU  61          3HD2      LEU  61  -7.479  10.579   2.850
  501    H    ASP  62           H        ASP  62  -8.364   7.747   7.576
  502    HA   ASP  62           HA       ASP  62  -9.566   9.965   9.028
  503   1HB   ASP  62          1HB       ASP  62 -11.468   8.824   7.944
  504   2HB   ASP  62          2HB       ASP  62 -10.966   7.306   8.684
  505   1H    ACE   0          1H        ACE   0   5.307 -12.035   2.602
  506   2H    ACE   0          2H        ACE   0   4.096 -10.817   2.211
  507   3H    ACE   0          3H        ACE   0   3.710 -12.048   3.412
  508    H    ALA   1           H        ALA   1   4.018  -8.996   3.361
  509    HA   ALA   1           HA       ALA   1   4.649  -7.336   4.768
  510   1HB   ALA   1          1HB       ALA   1   3.461  -8.692   6.414
  511   2HB   ALA   1          2HB       ALA   1   4.843  -7.873   7.144
  512   3HB   ALA   1          3HB       ALA   1   4.941  -9.590   6.752
  513    HA   PRO   2           HA       PRO   2   9.102  -8.067   3.677
  514   1HB   PRO   2          1HB       PRO   2   8.743  -5.111   3.477
  515   2HB   PRO   2          2HB       PRO   2   9.618  -6.212   2.406
  516   1HG   PRO   2          1HG       PRO   2   7.247  -5.275   1.691
  517   2HG   PRO   2          2HG       PRO   2   7.667  -6.971   1.387
  518   1HD   PRO   2          1HD       PRO   2   5.900  -5.807   3.493
  519   2HD   PRO   2          2HD       PRO   2   5.719  -7.317   2.575
  520    H    SER   3           H        SER   3  10.727  -8.031   5.091
  521    HA   SER   3           HA       SER   3  10.337  -6.606   7.625
  522   1HB   SER   3          1HB       SER   3  12.416  -8.694   6.932
  523   2HB   SER   3          2HB       SER   3  11.977  -8.122   8.540
  524    HG   SER   3           HG       SER   3   9.778  -8.928   7.928
  525    H    TYR   4           H        TYR   4  11.337  -5.457   4.984
  526    HA   TYR   4           HA       TYR   4  13.813  -4.300   6.051
  527   1HB   TYR   4          1HB       TYR   4  14.569  -4.010   3.695
  528   2HB   TYR   4          2HB       TYR   4  14.428  -5.694   4.180
  529    HD1  TYR   4           HD1      TYR   4  13.074  -3.060   2.021
  530    HD2  TYR   4           HD2      TYR   4  12.717  -7.127   3.211
  531    HE1  TYR   4           HE1      TYR   4  11.662  -3.505   0.057
  532    HE2  TYR   4           HE2      TYR   4  11.308  -7.585   1.253
  533    HH   TYR   4           HH       TYR   4   9.814  -6.314  -0.282
  534    H    SER   5           H        SER   5  14.243  -2.116   5.208
  535    HA   SER   5           HA       SER   5  11.932  -0.485   5.529
  536   1HB   SER   5          1HB       SER   5  14.652   0.367   4.546
  537   2HB   SER   5          2HB       SER   5  13.449   1.357   5.368
  538    HG   SER   5           HG       SER   5  15.404  -0.059   6.452
  539    HA   PRO   6           HA       PRO   6  10.811  -0.104   1.261
  540   1HB   PRO   6          1HB       PRO   6   9.095   1.945   1.436
  541   2HB   PRO   6          2HB       PRO   6   8.735   0.377   2.171
  542   1HG   PRO   6          1HG       PRO   6   9.708   2.894   3.451
  543   2HG   PRO   6          2HG       PRO   6   8.518   1.723   4.041
  544   1HD   PRO   6          1HD       PRO   6  11.171   1.826   4.828
  545   2HD   PRO   6          2HD       PRO   6  10.125   0.402   4.972
  546    HA   PRO   7           HA       PRO   7  13.313   2.961  -0.704
  547   1HB   PRO   7          1HB       PRO   7  11.725   3.717  -2.813
  548   2HB   PRO   7          2HB       PRO   7  12.666   2.223  -2.772
  549   1HG   PRO   7          1HG       PRO   7   9.766   2.658  -2.189
  550   2HG   PRO   7          2HG       PRO   7  10.541   1.343  -3.093
  551   1HD   PRO   7          1HD       PRO   7   9.722   1.018  -0.553
  552   2HD   PRO   7          2HD       PRO   7  11.190   0.231  -1.166
  553    HA   PRO   8           HA       PRO   8  12.123   6.829   1.143
  554   1HB   PRO   8          1HB       PRO   8  13.720   8.424  -0.480
  555   2HB   PRO   8          2HB       PRO   8  14.239   7.633   1.009
  556   1HG   PRO   8          1HG       PRO   8  14.614   6.768  -1.826
  557   2HG   PRO   8          2HG       PRO   8  15.730   6.642  -0.453
  558   1HD   PRO   8          1HD       PRO   8  14.367   4.515  -1.327
  559   2HD   PRO   8          2HD       PRO   8  14.659   4.771   0.407
  560    HA   PRO   9           HA       PRO   9   8.809   8.195  -1.474
  561   1HB   PRO   9          1HB       PRO   9   9.033  10.693   0.112
  562   2HB   PRO   9          2HB       PRO   9   7.636   9.641  -0.143
  563   1HG   PRO   9          1HG       PRO   9   8.923   9.656   2.191
  564   2HG   PRO   9          2HG       PRO   9   8.295   8.147   1.501
  565   1HD   PRO   9          1HD       PRO   9  11.100   9.183   1.556
  566   2HD   PRO   9          2HD       PRO   9  10.506   7.525   1.780
  567    HA   PRO  10           HA       PRO  10  11.075  10.675  -4.415
  568   1HB   PRO  10          1HB       PRO  10   9.119  10.846  -6.286
  569   2HB   PRO  10          2HB       PRO  10  10.095   9.392  -6.051
  570   1HG   PRO  10          1HG       PRO  10   7.329   9.994  -5.096
  571   2HG   PRO  10          2HG       PRO  10   7.984   8.486  -5.757
  572   1HD   PRO  10          1HD       PRO  10   7.626   8.918  -3.087
  573   2HD   PRO  10          2HD       PRO  10   8.881   7.847  -3.741
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1 -20.475  -7.913  -2.165
    2   2H    MET   1          2H        MET   1 -20.727  -6.273  -1.815
    3   3H    MET   1          3H        MET   1 -19.314  -7.047  -1.286
    4    HA   MET   1           HA       MET   1 -18.573  -7.350  -3.541
    5   1HB   MET   1          1HB       MET   1 -21.134  -5.882  -4.205
    6   2HB   MET   1          2HB       MET   1 -19.832  -6.162  -5.352
    7   1HG   MET   1          1HG       MET   1 -21.325  -8.353  -3.937
    8   2HG   MET   1          2HG       MET   1 -21.740  -7.743  -5.538
    9   1HE   MET   1          1HE       MET   1 -21.550 -10.054  -6.708
   10   2HE   MET   1          2HE       MET   1 -21.260 -10.791  -5.132
   11   3HE   MET   1          3HE       MET   1 -20.199 -11.165  -6.490
   12    H    ASP   2           H        ASP   2 -18.621  -5.447  -1.179
   13    HA   ASP   2           HA       ASP   2 -17.609  -3.073  -2.618
   14   1HB   ASP   2          1HB       ASP   2 -18.539  -2.942   0.263
   15   2HB   ASP   2          2HB       ASP   2 -18.214  -1.625  -0.853
   16    H    GLU   3           H        GLU   3 -15.782  -4.649  -2.705
   17    HA   GLU   3           HA       GLU   3 -14.209  -5.210  -0.403
   18   1HB   GLU   3          1HB       GLU   3 -13.160  -4.803  -3.280
   19   2HB   GLU   3          2HB       GLU   3 -12.119  -5.255  -1.942
   20   1HG   GLU   3          1HG       GLU   3 -13.170  -7.048  -3.550
   21   2HG   GLU   3          2HG       GLU   3 -12.883  -7.371  -1.844
   22    H    THR   4           H        THR   4 -14.749  -2.171  -1.811
   23    HA   THR   4           HA       THR   4 -12.383  -1.096  -0.465
   24    HB   THR   4           HB       THR   4 -12.812  -0.449  -2.931
   25    HG1  THR   4           HG1      THR   4 -11.473   0.666  -1.179
   26   1HG2  THR   4          1HG2      THR   4 -14.193   1.832  -2.809
   27   2HG2  THR   4          2HG2      THR   4 -15.072   0.932  -1.573
   28   3HG2  THR   4          3HG2      THR   4 -14.956   0.299  -3.218
   29    H    GLY   5           H        GLY   5 -15.049  -1.951   0.621
   30   1HA   GLY   5          1HA       GLY   5 -15.924   0.560   1.875
   31   2HA   GLY   5          2HA       GLY   5 -16.806  -0.966   1.908
   32    H    LYS   6           H        LYS   6 -13.516   0.034   2.733
   33    HA   LYS   6           HA       LYS   6 -13.859  -0.952   5.446
   34   1HB   LYS   6          1HB       LYS   6 -11.449  -1.681   3.735
   35   2HB   LYS   6          2HB       LYS   6 -11.799  -2.171   5.357
   36   1HG   LYS   6          1HG       LYS   6 -13.347  -3.757   4.717
   37   2HG   LYS   6          2HG       LYS   6 -13.650  -2.999   3.166
   38   1HD   LYS   6          1HD       LYS   6 -11.333  -3.594   2.484
   39   2HD   LYS   6          2HD       LYS   6 -11.165  -4.480   4.002
   40   1HE   LYS   6          1HE       LYS   6 -12.434  -6.196   3.287
   41   2HE   LYS   6          2HE       LYS   6 -13.562  -5.139   2.437
   42   1HZ   LYS   6          1HZ       LYS   6 -11.827  -4.893   0.689
   43   2HZ   LYS   6          2HZ       LYS   6 -12.444  -6.466   0.840
   44   3HZ   LYS   6          3HZ       LYS   6 -10.920  -6.093   1.474
   45    H    GLU   7           H        GLU   7 -11.143  -0.633   6.130
   46    HA   GLU   7           HA       GLU   7 -11.014   2.154   6.594
   47   1HB   GLU   7          1HB       GLU   7  -9.940   0.137   7.875
   48   2HB   GLU   7          2HB       GLU   7  -8.617   0.351   6.741
   49   1HG   GLU   7          1HG       GLU   7  -8.231   2.578   7.522
   50   2HG   GLU   7          2HG       GLU   7  -9.667   2.514   8.545
   51    H    LEU   8           H        LEU   8 -10.499   3.663   5.119
   52    HA   LEU   8           HA       LEU   8  -8.990   2.804   2.769
   53   1HB   LEU   8          1HB       LEU   8 -10.673   5.247   3.263
   54   2HB   LEU   8          2HB       LEU   8  -9.774   4.953   1.784
   55    HG   LEU   8           HG       LEU   8 -11.892   3.101   2.844
   56   1HD1  LEU   8          1HD1      LEU   8 -13.347   4.001   1.074
   57   2HD1  LEU   8          2HD1      LEU   8 -12.133   5.227   0.719
   58   3HD1  LEU   8          3HD1      LEU   8 -12.946   5.215   2.285
   59   1HD2  LEU   8          1HD2      LEU   8 -11.834   2.147   0.595
   60   2HD2  LEU   8          2HD2      LEU   8 -10.268   2.026   1.398
   61   3HD2  LEU   8          3HD2      LEU   8 -10.534   3.259   0.162
   62    H    VAL   9           H        VAL   9  -7.388   3.987   1.865
   63    HA   VAL   9           HA       VAL   9  -6.010   5.966   3.542
   64    HB   VAL   9           HB       VAL   9  -3.834   4.908   2.626
   65   1HG1  VAL   9          1HG1      VAL   9  -4.313   4.999   4.953
   66   2HG1  VAL   9          2HG1      VAL   9  -3.693   3.393   4.563
   67   3HG1  VAL   9          3HG1      VAL   9  -5.422   3.632   4.829
   68   1HG2  VAL   9          1HG2      VAL   9  -4.776   3.316   1.115
   69   2HG2  VAL   9          2HG2      VAL   9  -5.720   2.575   2.407
   70   3HG2  VAL   9          3HG2      VAL   9  -3.961   2.444   2.414
   71    H    LEU  10           H        LEU  10  -4.507   7.259   2.357
   72    HA   LEU  10           HA       LEU  10  -5.296   7.563  -0.466
   73   1HB   LEU  10          1HB       LEU  10  -5.829   9.492   0.937
   74   2HB   LEU  10          2HB       LEU  10  -4.161   9.583   1.474
   75    HG   LEU  10           HG       LEU  10  -3.660   9.864  -1.086
   76   1HD1  LEU  10          1HD1      LEU  10  -5.896   9.453  -1.888
   77   2HD1  LEU  10          2HD1      LEU  10  -5.455  11.129  -2.216
   78   3HD1  LEU  10          3HD1      LEU  10  -6.534  10.748  -0.874
   79   1HD2  LEU  10          1HD2      LEU  10  -4.801  12.025   0.677
   80   2HD2  LEU  10          2HD2      LEU  10  -3.895  12.313  -0.807
   81   3HD2  LEU  10          3HD2      LEU  10  -3.113  11.524   0.565
   82    H    ALA  11           H        ALA  11  -3.755   7.445  -2.025
   83    HA   ALA  11           HA       ALA  11  -1.106   6.620  -1.188
   84   1HB   ALA  11          1HB       ALA  11  -0.772   5.901  -3.393
   85   2HB   ALA  11          2HB       ALA  11  -1.988   7.003  -4.037
   86   3HB   ALA  11          3HB       ALA  11  -2.484   5.593  -3.095
   87    H    LEU  12           H        LEU  12   0.317   8.147  -0.699
   88    HA   LEU  12           HA       LEU  12   0.113  10.836  -1.586
   89   1HB   LEU  12          1HB       LEU  12   2.118   9.302   0.039
   90   2HB   LEU  12          2HB       LEU  12   2.427  10.965  -0.457
   91    HG   LEU  12           HG       LEU  12   0.273  11.605   0.654
   92   1HD1  LEU  12          1HD1      LEU  12  -0.865   9.538   0.744
   93   2HD1  LEU  12          2HD1      LEU  12  -0.562  10.064   2.402
   94   3HD1  LEU  12          3HD1      LEU  12   0.433   8.797   1.681
   95   1HD2  LEU  12          1HD2      LEU  12   2.432  12.022   1.726
   96   2HD2  LEU  12          2HD2      LEU  12   2.418  10.392   2.402
   97   3HD2  LEU  12          3HD2      LEU  12   1.219  11.574   2.930
   98    H    TYR  13           H        TYR  13   2.124   8.099  -2.555
   99    HA   TYR  13           HA       TYR  13   3.124   9.759  -4.760
  100   1HB   TYR  13          1HB       TYR  13   5.014   7.800  -3.515
  101   2HB   TYR  13          2HB       TYR  13   5.365   9.263  -4.425
  102    HD1  TYR  13           HD1      TYR  13   5.168  11.481  -3.306
  103    HD2  TYR  13           HD2      TYR  13   4.815   7.832  -1.152
  104    HE1  TYR  13           HE1      TYR  13   5.540  12.696  -1.202
  105    HE2  TYR  13           HE2      TYR  13   5.186   9.035   0.959
  106    HH   TYR  13           HH       TYR  13   5.133  12.467   1.162
  107    H    ASP  14           H        ASP  14   4.225   8.362  -6.443
  108    HA   ASP  14           HA       ASP  14   2.482   6.159  -7.079
  109   1HB   ASP  14          1HB       ASP  14   3.193   7.797  -8.812
  110   2HB   ASP  14          2HB       ASP  14   4.859   7.270  -8.600
  111    H    TYR  15           H        TYR  15   3.030   4.069  -7.042
  112    HA   TYR  15           HA       TYR  15   5.769   3.359  -6.291
  113   1HB   TYR  15          1HB       TYR  15   4.519   3.356  -4.207
  114   2HB   TYR  15          2HB       TYR  15   3.269   2.341  -4.921
  115    HD1  TYR  15           HD1      TYR  15   3.354   0.064  -4.492
  116    HD2  TYR  15           HD2      TYR  15   6.957   2.321  -4.359
  117    HE1  TYR  15           HE1      TYR  15   4.585  -1.952  -3.801
  118    HE2  TYR  15           HE2      TYR  15   8.197   0.318  -3.669
  119    HH   TYR  15           HH       TYR  15   6.846  -2.822  -3.796
  120    H    GLN  16           H        GLN  16   6.502   1.434  -7.060
  121    HA   GLN  16           HA       GLN  16   4.744  -0.041  -8.922
  122   1HB   GLN  16          1HB       GLN  16   7.347   1.196  -9.261
  123   2HB   GLN  16          2HB       GLN  16   7.499  -0.534  -9.461
  124   1HG   GLN  16          1HG       GLN  16   5.838   1.382 -11.084
  125   2HG   GLN  16          2HG       GLN  16   7.197   0.395 -11.598
  126   1HE2  GLN  16          1HE2      GLN  16   6.555  -2.052 -10.529
  127   2HE2  GLN  16          2HE2      GLN  16   5.131  -2.655 -11.315
  128    H    GLU  17           H        GLU  17   4.470  -2.152  -8.448
  129    HA   GLU  17           HA       GLU  17   5.444  -3.264  -6.048
  130   1HB   GLU  17          1HB       GLU  17   4.509  -5.392  -6.888
  131   2HB   GLU  17          2HB       GLU  17   3.379  -4.051  -7.039
  132   1HG   GLU  17          1HG       GLU  17   4.192  -3.840  -9.434
  133   2HG   GLU  17          2HG       GLU  17   4.951  -5.415  -9.199
  134    H    LYS  18           H        LYS  18   7.091  -4.707  -5.597
  135    HA   LYS  18           HA       LYS  18   9.038  -5.051  -7.788
  136   1HB   LYS  18          1HB       LYS  18   9.561  -5.239  -4.814
  137   2HB   LYS  18          2HB       LYS  18  10.765  -5.264  -6.098
  138   1HG   LYS  18          1HG       LYS  18  10.326  -2.949  -6.633
  139   2HG   LYS  18          2HG       LYS  18   8.955  -2.915  -5.525
  140   1HD   LYS  18          1HD       LYS  18  11.731  -3.548  -4.564
  141   2HD   LYS  18          2HD       LYS  18  11.165  -1.886  -4.736
  142   1HE   LYS  18          1HE       LYS  18  10.779  -2.467  -2.476
  143   2HE   LYS  18          2HE       LYS  18   9.204  -2.546  -3.261
  144   1HZ   LYS  18          1HZ       LYS  18  10.018  -4.453  -1.702
  145   2HZ   LYS  18          2HZ       LYS  18  10.815  -4.997  -3.091
  146   3HZ   LYS  18          3HZ       LYS  18   9.125  -4.809  -3.101
  147    H    SER  19           H        SER  19   7.488  -6.692  -5.063
  148    HA   SER  19           HA       SER  19   8.276  -9.269  -6.255
  149   1HB   SER  19          1HB       SER  19   8.363 -10.222  -4.113
  150   2HB   SER  19          2HB       SER  19   9.015  -8.597  -3.839
  151    HG   SER  19           HG       SER  19   7.259  -8.050  -2.738
  152    HA   PRO  20           HA       PRO  20   4.060 -10.478  -6.931
  153   1HB   PRO  20          1HB       PRO  20   4.499 -12.872  -5.223
  154   2HB   PRO  20          2HB       PRO  20   3.988 -12.780  -6.915
  155   1HG   PRO  20          1HG       PRO  20   6.435 -13.560  -6.330
  156   2HG   PRO  20          2HG       PRO  20   6.180 -12.414  -7.665
  157   1HD   PRO  20          1HD       PRO  20   7.036 -11.863  -4.840
  158   2HD   PRO  20          2HD       PRO  20   7.748 -11.262  -6.358
  159    H    ALA  21           H        ALA  21   5.151  -9.835  -3.808
  160    HA   ALA  21           HA       ALA  21   2.487 -10.175  -2.633
  161   1HB   ALA  21          1HB       ALA  21   4.192 -11.206  -1.306
  162   2HB   ALA  21          2HB       ALA  21   3.637  -9.758  -0.460
  163   3HB   ALA  21          3HB       ALA  21   5.170  -9.738  -1.335
  164    H    GLU  22           H        GLU  22   3.933  -7.954  -4.370
  165    HA   GLU  22           HA       GLU  22   3.017  -5.703  -2.700
  166   1HB   GLU  22          1HB       GLU  22   5.295  -5.908  -4.647
  167   2HB   GLU  22          2HB       GLU  22   4.504  -4.362  -4.401
  168   1HG   GLU  22          1HG       GLU  22   5.721  -4.005  -2.590
  169   2HG   GLU  22          2HG       GLU  22   5.103  -5.482  -1.845
  170    H    VAL  23           H        VAL  23   1.980  -3.937  -3.794
  171    HA   VAL  23           HA       VAL  23   0.878  -4.645  -6.422
  172    HB   VAL  23           HB       VAL  23  -1.237  -3.367  -5.642
  173   1HG1  VAL  23          1HG1      VAL  23  -2.225  -5.462  -4.758
  174   2HG1  VAL  23          2HG1      VAL  23  -0.605  -6.160  -4.752
  175   3HG1  VAL  23          3HG1      VAL  23  -1.341  -5.646  -6.274
  176   1HG2  VAL  23          1HG2      VAL  23   0.202  -3.658  -3.120
  177   2HG2  VAL  23          2HG2      VAL  23  -1.469  -4.214  -3.069
  178   3HG2  VAL  23          3HG2      VAL  23  -1.103  -2.563  -3.568
  179    H    THR  24           H        THR  24   0.671  -3.038  -7.860
  180    HA   THR  24           HA       THR  24   2.223  -0.672  -7.340
  181    HB   THR  24           HB       THR  24   0.755  -1.579  -9.810
  182    HG1  THR  24           HG1      THR  24   2.419  -2.960  -9.487
  183   1HG2  THR  24          1HG2      THR  24   1.032   0.815  -9.892
  184   2HG2  THR  24          2HG2      THR  24   2.181   0.055 -10.995
  185   3HG2  THR  24          3HG2      THR  24   2.726   0.665  -9.431
  186    H    MET  25           H        MET  25   1.500   1.273  -6.830
  187    HA   MET  25           HA       MET  25  -1.374   1.869  -7.120
  188   1HB   MET  25          1HB       MET  25  -1.365   3.020  -5.002
  189   2HB   MET  25          2HB       MET  25  -0.695   1.409  -4.750
  190   1HG   MET  25          1HG       MET  25   1.477   2.222  -4.491
  191   2HG   MET  25          2HG       MET  25   1.080   3.768  -5.244
  192   1HE   MET  25          1HE       MET  25  -1.507   2.324  -2.773
  193   2HE   MET  25          2HE       MET  25  -0.849   2.749  -1.194
  194   3HE   MET  25          3HE       MET  25  -0.059   1.514  -2.174
  195    H    LYS  26           H        LYS  26  -1.774   4.298  -6.967
  196    HA   LYS  26           HA       LYS  26   0.432   5.838  -8.166
  197   1HB   LYS  26          1HB       LYS  26  -2.318   5.452  -9.310
  198   2HB   LYS  26          2HB       LYS  26  -1.525   7.005  -9.505
  199   1HG   LYS  26          1HG       LYS  26  -0.947   5.900 -11.437
  200   2HG   LYS  26          2HG       LYS  26   0.457   5.623 -10.408
  201   1HD   LYS  26          1HD       LYS  26  -0.814   3.457  -9.725
  202   2HD   LYS  26          2HD       LYS  26  -1.695   3.724 -11.231
  203   1HE   LYS  26          1HE       LYS  26   0.183   2.244 -11.625
  204   2HE   LYS  26          2HE       LYS  26   0.443   3.783 -12.448
  205   1HZ   LYS  26          1HZ       LYS  26   1.609   3.081  -9.806
  206   2HZ   LYS  26          2HZ       LYS  26   1.939   4.471 -10.719
  207   3HZ   LYS  26          3HZ       LYS  26   2.428   2.945 -11.284
  208    H    LYS  27           H        LYS  27   0.432   8.038  -7.701
  209    HA   LYS  27           HA       LYS  27  -0.671   8.782  -5.208
  210   1HB   LYS  27          1HB       LYS  27   1.112  10.153  -5.487
  211   2HB   LYS  27          2HB       LYS  27   1.045  10.050  -7.236
  212   1HG   LYS  27          1HG       LYS  27   0.644  12.266  -6.955
  213   2HG   LYS  27          2HG       LYS  27  -1.013  11.659  -6.928
  214   1HD   LYS  27          1HD       LYS  27  -1.059  11.746  -4.526
  215   2HD   LYS  27          2HD       LYS  27   0.658  12.152  -4.464
  216   1HE   LYS  27          1HE       LYS  27  -0.086  14.173  -5.959
  217   2HE   LYS  27          2HE       LYS  27  -1.669  13.844  -5.257
  218   1HZ   LYS  27          1HZ       LYS  27  -0.472  15.488  -3.964
  219   2HZ   LYS  27          2HZ       LYS  27   0.821  14.412  -3.740
  220   3HZ   LYS  27          3HZ       LYS  27  -0.689  14.074  -3.049
  221    H    GLY  28           H        GLY  28  -2.544   9.702  -4.670
  222   1HA   GLY  28          1HA       GLY  28  -4.432  11.153  -5.062
  223   2HA   GLY  28          2HA       GLY  28  -4.166  10.953  -6.796
  224    H    ASP  29           H        ASP  29  -3.828   7.978  -5.470
  225    HA   ASP  29           HA       ASP  29  -6.544   7.227  -6.230
  226   1HB   ASP  29          1HB       ASP  29  -3.911   5.899  -6.287
  227   2HB   ASP  29          2HB       ASP  29  -5.252   4.868  -5.780
  228    H    ILE  30           H        ILE  30  -7.817   5.909  -4.894
  229    HA   ILE  30           HA       ILE  30  -7.146   6.178  -2.050
  230    HB   ILE  30           HB       ILE  30  -9.763   5.914  -3.515
  231   1HG1  ILE  30          1HG1      ILE  30 -10.414   7.831  -2.150
  232   2HG1  ILE  30          2HG1      ILE  30  -8.901   7.751  -1.259
  233   1HG2  ILE  30          1HG2      ILE  30  -9.887   4.207  -1.814
  234   2HG2  ILE  30          2HG2      ILE  30 -10.916   5.569  -1.369
  235   3HG2  ILE  30          3HG2      ILE  30  -9.351   5.353  -0.584
  236   1HD1  ILE  30          1HD1      ILE  30  -9.268   8.470  -4.161
  237   2HD1  ILE  30          2HD1      ILE  30  -7.701   8.268  -3.375
  238   3HD1  ILE  30          3HD1      ILE  30  -8.799   9.543  -2.842
  239    H    LEU  31           H        LEU  31  -6.233   4.503  -1.189
  240    HA   LEU  31           HA       LEU  31  -6.652   1.831  -2.314
  241   1HB   LEU  31          1HB       LEU  31  -4.551   3.123  -0.642
  242   2HB   LEU  31          2HB       LEU  31  -4.773   1.395  -0.488
  243    HG   LEU  31           HG       LEU  31  -2.958   2.162  -2.066
  244   1HD1  LEU  31          1HD1      LEU  31  -3.843  -0.106  -2.113
  245   2HD1  LEU  31          2HD1      LEU  31  -3.421   0.460  -3.729
  246   3HD1  LEU  31          3HD1      LEU  31  -5.107   0.410  -3.231
  247   1HD2  LEU  31          1HD2      LEU  31  -5.321   2.958  -3.746
  248   2HD2  LEU  31          2HD2      LEU  31  -3.670   2.796  -4.342
  249   3HD2  LEU  31          3HD2      LEU  31  -4.054   4.018  -3.129
  250    H    THR  32           H        THR  32  -7.138   0.053  -0.954
  251    HA   THR  32           HA       THR  32  -8.640   0.810   1.446
  252    HB   THR  32           HB       THR  32  -8.778  -1.823  -0.027
  253    HG1  THR  32           HG1      THR  32  -9.761  -0.685  -1.537
  254   1HG2  THR  32          1HG2      THR  32 -11.095  -1.750   1.091
  255   2HG2  THR  32          2HG2      THR  32 -10.404  -0.478   2.104
  256   3HG2  THR  32          3HG2      THR  32  -9.691  -2.096   2.107
  257    H    LEU  33           H        LEU  33  -7.835   0.266   3.395
  258    HA   LEU  33           HA       LEU  33  -5.343  -1.165   3.536
  259   1HB   LEU  33          1HB       LEU  33  -6.922   0.521   5.304
  260   2HB   LEU  33          2HB       LEU  33  -6.237  -0.861   6.136
  261    HG   LEU  33           HG       LEU  33  -4.723   1.245   4.601
  262   1HD1  LEU  33          1HD1      LEU  33  -3.759   1.745   6.808
  263   2HD1  LEU  33          2HD1      LEU  33  -4.863   0.579   7.533
  264   3HD1  LEU  33          3HD1      LEU  33  -5.500   2.018   6.740
  265   1HD2  LEU  33          1HD2      LEU  33  -3.709  -1.219   6.012
  266   2HD2  LEU  33          2HD2      LEU  33  -2.695   0.108   5.442
  267   3HD2  LEU  33          3HD2      LEU  33  -3.604  -0.867   4.287
  268    H    LEU  34           H        LEU  34  -4.986  -3.171   4.129
  269    HA   LEU  34           HA       LEU  34  -7.293  -4.829   4.912
  270   1HB   LEU  34          1HB       LEU  34  -4.786  -5.742   3.504
  271   2HB   LEU  34          2HB       LEU  34  -6.248  -6.668   3.775
  272    HG   LEU  34           HG       LEU  34  -6.010  -4.264   1.965
  273   1HD1  LEU  34          1HD1      LEU  34  -5.356  -5.657   0.379
  274   2HD1  LEU  34          2HD1      LEU  34  -6.791  -6.650   0.639
  275   3HD1  LEU  34          3HD1      LEU  34  -5.318  -6.976   1.556
  276   1HD2  LEU  34          1HD2      LEU  34  -8.286  -5.020   1.208
  277   2HD2  LEU  34          2HD2      LEU  34  -8.230  -4.315   2.823
  278   3HD2  LEU  34          3HD2      LEU  34  -8.334  -6.067   2.627
  279    H    ASN  35           H        ASN  35  -3.863  -4.185   5.402
  280    HA   ASN  35           HA       ASN  35  -4.020  -5.073   8.143
  281   1HB   ASN  35          1HB       ASN  35  -3.562  -7.181   6.874
  282   2HB   ASN  35          2HB       ASN  35  -2.079  -6.450   6.271
  283   1HD2  ASN  35          1HD2      ASN  35  -2.498  -8.830   7.915
  284   2HD2  ASN  35          2HD2      ASN  35  -1.570  -8.575   9.354
  285    H    SER  36           H        SER  36  -2.973  -3.531   9.228
  286    HA   SER  36           HA       SER  36  -0.596  -2.324   7.990
  287   1HB   SER  36          1HB       SER  36  -1.383  -0.306   9.529
  288   2HB   SER  36          2HB       SER  36  -2.031  -0.531   7.900
  289    HG   SER  36           HG       SER  36  -3.361  -0.478  10.200
  290    H    THR  37           H        THR  37  -0.573  -4.596   9.700
  291    HA   THR  37           HA       THR  37   0.094  -3.745  12.357
  292    HB   THR  37           HB       THR  37  -0.840  -6.025  11.663
  293    HG1  THR  37           HG1      THR  37   1.168  -6.729  13.329
  294   1HG2  THR  37          1HG2      THR  37   0.764  -6.666   9.973
  295   2HG2  THR  37          2HG2      THR  37   0.900  -7.777  11.334
  296   3HG2  THR  37          3HG2      THR  37   2.095  -6.499  11.120
  297    H    ASN  38           H        ASN  38   1.702  -3.671   9.444
  298    HA   ASN  38           HA       ASN  38   4.374  -3.854  10.648
  299   1HB   ASN  38          1HB       ASN  38   3.783  -5.153   8.550
  300   2HB   ASN  38          2HB       ASN  38   3.641  -3.615   7.722
  301   1HD2  ASN  38          1HD2      ASN  38   5.462  -5.893   7.263
  302   2HD2  ASN  38          2HD2      ASN  38   7.058  -5.238   7.336
  303    H    LYS  39           H        LYS  39   5.810  -2.040  10.445
  304    HA   LYS  39           HA       LYS  39   4.403   0.473  10.406
  305   1HB   LYS  39          1HB       LYS  39   7.031  -0.603  11.341
  306   2HB   LYS  39          2HB       LYS  39   6.849   1.103  11.119
  307   1HG   LYS  39          1HG       LYS  39   5.215   1.264  12.833
  308   2HG   LYS  39          2HG       LYS  39   5.009  -0.494  12.866
  309   1HD   LYS  39          1HD       LYS  39   7.277  -0.743  13.719
  310   2HD   LYS  39          2HD       LYS  39   7.501   1.008  13.657
  311   1HE   LYS  39          1HE       LYS  39   5.905   1.374  15.351
  312   2HE   LYS  39          2HE       LYS  39   5.283  -0.269  15.228
  313   1HZ   LYS  39          1HZ       LYS  39   7.144  -1.133  16.296
  314   2HZ   LYS  39          2HZ       LYS  39   6.789   0.273  17.177
  315   3HZ   LYS  39          3HZ       LYS  39   8.068   0.272  16.062
  316    H    ASP  40           H        ASP  40   6.679  -1.281   8.446
  317    HA   ASP  40           HA       ASP  40   7.230   1.152   6.895
  318   1HB   ASP  40          1HB       ASP  40   8.551  -1.566   6.821
  319   2HB   ASP  40          2HB       ASP  40   8.952  -0.233   5.734
  320    H    TRP  41           H        TRP  41   5.466  -1.787   6.742
  321    HA   TRP  41           HA       TRP  41   4.757  -1.195   3.954
  322   1HB   TRP  41          1HB       TRP  41   5.444  -3.909   5.098
  323   2HB   TRP  41          2HB       TRP  41   4.680  -3.668   3.539
  324    HD1  TRP  41           HD1      TRP  41   8.028  -3.293   5.319
  325    HE1  TRP  41           HE1      TRP  41   9.874  -2.919   3.566
  326    HE3  TRP  41           HE3      TRP  41   5.100  -2.735   1.162
  327    HZ2  TRP  41           HZ2      TRP  41  10.058  -2.442   0.791
  328    HZ3  TRP  41           HZ3      TRP  41   6.188  -2.319  -0.997
  329    HH2  TRP  41           HH2      TRP  41   8.619  -2.179  -1.182
  330    H    TRP  42           H        TRP  42   2.621  -1.231   3.519
  331    HA   TRP  42           HA       TRP  42   0.857  -2.400   5.571
  332   1HB   TRP  42          1HB       TRP  42   0.646   0.195   4.066
  333   2HB   TRP  42          2HB       TRP  42  -0.812  -0.611   4.648
  334    HD1  TRP  42           HD1      TRP  42   1.812  -1.242   7.099
  335    HE1  TRP  42           HE1      TRP  42   1.652   0.360   9.088
  336    HE3  TRP  42           HE3      TRP  42  -1.400   2.167   5.128
  337    HZ2  TRP  42           HZ2      TRP  42   0.343   2.783   9.726
  338    HZ3  TRP  42           HZ3      TRP  42  -2.063   4.123   6.483
  339    HH2  TRP  42           HH2      TRP  42  -1.202   4.409   8.738
  340    H    LYS  43           H        LYS  43  -0.662  -3.793   4.884
  341    HA   LYS  43           HA       LYS  43  -0.611  -4.600   2.100
  342   1HB   LYS  43          1HB       LYS  43  -0.713  -6.244   4.021
  343   2HB   LYS  43          2HB       LYS  43  -2.341  -5.668   4.342
  344   1HG   LYS  43          1HG       LYS  43  -3.039  -6.385   2.100
  345   2HG   LYS  43          2HG       LYS  43  -1.416  -7.011   1.800
  346   1HD   LYS  43          1HD       LYS  43  -1.730  -8.459   3.848
  347   2HD   LYS  43          2HD       LYS  43  -3.416  -7.949   3.857
  348   1HE   LYS  43          1HE       LYS  43  -1.984  -9.514   1.706
  349   2HE   LYS  43          2HE       LYS  43  -3.275 -10.075   2.769
  350   1HZ   LYS  43          1HZ       LYS  43  -3.697  -7.842   0.885
  351   2HZ   LYS  43          2HZ       LYS  43  -4.858  -8.808   1.657
  352   3HZ   LYS  43          3HZ       LYS  43  -3.899  -9.455   0.414
  353    H    VAL  44           H        VAL  44  -1.945  -3.784   0.627
  354    HA   VAL  44           HA       VAL  44  -4.543  -2.738   1.520
  355    HB   VAL  44           HB       VAL  44  -4.289  -0.914  -0.202
  356   1HG1  VAL  44          1HG1      VAL  44  -2.341  -0.877   2.101
  357   2HG1  VAL  44          2HG1      VAL  44  -4.053  -0.456   2.180
  358   3HG1  VAL  44          3HG1      VAL  44  -2.943   0.538   1.237
  359   1HG2  VAL  44          1HG2      VAL  44  -2.066  -0.319  -0.959
  360   2HG2  VAL  44          2HG2      VAL  44  -2.441  -1.968  -1.454
  361   3HG2  VAL  44          3HG2      VAL  44  -1.373  -1.682  -0.082
  362    H    GLU  45           H        GLU  45  -5.918  -2.226  -0.470
  363    HA   GLU  45           HA       GLU  45  -5.569  -4.280  -2.543
  364   1HB   GLU  45          1HB       GLU  45  -7.227  -4.992  -0.833
  365   2HB   GLU  45          2HB       GLU  45  -8.153  -3.536  -1.154
  366   1HG   GLU  45          1HG       GLU  45  -8.725  -4.268  -3.329
  367   2HG   GLU  45          2HG       GLU  45  -7.564  -5.593  -3.262
  368    H    VAL  46           H        VAL  46  -5.710  -3.500  -4.552
  369    HA   VAL  46           HA       VAL  46  -7.039  -0.884  -4.958
  370    HB   VAL  46           HB       VAL  46  -5.362  -1.351  -7.155
  371   1HG1  VAL  46          1HG1      VAL  46  -4.380   0.729  -6.602
  372   2HG1  VAL  46          2HG1      VAL  46  -4.877   0.579  -4.916
  373   3HG1  VAL  46          3HG1      VAL  46  -6.093   0.793  -6.180
  374   1HG2  VAL  46          1HG2      VAL  46  -3.914  -1.817  -4.575
  375   2HG2  VAL  46          2HG2      VAL  46  -3.130  -1.424  -6.107
  376   3HG2  VAL  46          3HG2      VAL  46  -4.062  -2.914  -5.947
  377    H    ASN  47           H        ASN  47  -8.828  -1.205  -5.995
  378    HA   ASN  47           HA       ASN  47 -10.454  -1.867  -7.347
  379   1HB   ASN  47          1HB       ASN  47  -9.910  -2.291  -9.675
  380   2HB   ASN  47          2HB       ASN  47  -9.073  -0.911  -9.057
  381   1HD2  ASN  47          1HD2      ASN  47  -6.845  -0.861  -9.149
  382   2HD2  ASN  47          2HD2      ASN  47  -5.908  -2.128  -9.879
  383    H    ASP  48           H        ASP  48  -7.917  -4.216  -7.738
  384    HA   ASP  48           HA       ASP  48  -9.655  -6.373  -6.857
  385   1HB   ASP  48          1HB       ASP  48 -10.158  -6.070  -9.313
  386   2HB   ASP  48          2HB       ASP  48  -8.489  -6.527  -9.642
  387    H    ARG  49           H        ARG  49  -6.617  -5.016  -7.248
  388    HA   ARG  49           HA       ARG  49  -5.210  -7.572  -6.942
  389   1HB   ARG  49          1HB       ARG  49  -4.133  -4.795  -7.465
  390   2HB   ARG  49          2HB       ARG  49  -3.153  -6.243  -7.316
  391   1HG   ARG  49          1HG       ARG  49  -5.248  -5.785  -9.436
  392   2HG   ARG  49          2HG       ARG  49  -3.516  -5.555  -9.650
  393   1HD   ARG  49          1HD       ARG  49  -3.746  -7.670 -10.487
  394   2HD   ARG  49          2HD       ARG  49  -3.399  -8.042  -8.802
  395    HE   ARG  49           HE       ARG  49  -6.216  -7.835  -9.499
  396   1HH1  ARG  49          1HH1      ARG  49  -3.445  -9.938  -9.013
  397   2HH1  ARG  49          2HH1      ARG  49  -4.414 -11.373  -8.821
  398   1HH2  ARG  49          1HH2      ARG  49  -7.485  -9.719  -9.252
  399   2HH2  ARG  49          2HH2      ARG  49  -6.701 -11.245  -8.942
  400    H    GLN  50           H        GLN  50  -4.524  -8.211  -5.033
  401    HA   GLN  50           HA       GLN  50  -4.472  -6.256  -2.837
  402   1HB   GLN  50          1HB       GLN  50  -4.817  -9.252  -2.859
  403   2HB   GLN  50          2HB       GLN  50  -4.497  -8.343  -1.388
  404   1HG   GLN  50          1HG       GLN  50  -6.547  -7.014  -1.846
  405   2HG   GLN  50          2HG       GLN  50  -6.875  -8.102  -3.197
  406   1HE2  GLN  50          1HE2      GLN  50  -8.908  -8.546  -1.984
  407   2HE2  GLN  50          2HE2      GLN  50  -8.850  -9.752  -0.739
  408    H    GLY  51           H        GLY  51  -2.655  -5.966  -1.631
  409   1HA   GLY  51          1HA       GLY  51  -0.541  -7.634  -1.367
  410   2HA   GLY  51          2HA       GLY  51  -0.112  -6.761  -2.765
  411    H    PHE  52           H        PHE  52   1.698  -6.190  -1.295
  412    HA   PHE  52           HA       PHE  52   0.987  -4.279   0.794
  413   1HB   PHE  52          1HB       PHE  52   3.470  -5.862   0.192
  414   2HB   PHE  52          2HB       PHE  52   3.429  -4.584   1.404
  415    HD1  PHE  52           HD1      PHE  52   2.798  -5.069   3.567
  416    HD2  PHE  52           HD2      PHE  52   1.724  -7.742   0.421
  417    HE1  PHE  52           HE1      PHE  52   1.958  -6.683   5.228
  418    HE2  PHE  52           HE2      PHE  52   0.882  -9.355   2.085
  419    HZ   PHE  52           HZ       PHE  52   0.995  -8.824   4.485
  420    H    VAL  53           H        VAL  53   1.880  -2.302   0.991
  421    HA   VAL  53           HA       VAL  53   3.594  -1.238  -1.131
  422    HB   VAL  53           HB       VAL  53   2.292   0.797  -1.320
  423   1HG1  VAL  53          1HG1      VAL  53   0.326  -0.026  -2.469
  424   2HG1  VAL  53          2HG1      VAL  53   0.507  -1.590  -1.673
  425   3HG1  VAL  53          3HG1      VAL  53   1.726  -1.040  -2.824
  426   1HG2  VAL  53          1HG2      VAL  53   0.413  -0.480   0.659
  427   2HG2  VAL  53          2HG2      VAL  53   0.053   0.978  -0.264
  428   3HG2  VAL  53          3HG2      VAL  53   1.384   0.973   0.895
  429    HA   PRO  54           HA       PRO  54   5.772   0.705   2.200
  430   1HB   PRO  54          1HB       PRO  54   5.585   3.260   0.682
  431   2HB   PRO  54          2HB       PRO  54   7.025   2.427   1.292
  432   1HG   PRO  54          1HG       PRO  54   6.455   2.387  -1.298
  433   2HG   PRO  54          2HG       PRO  54   7.050   0.920  -0.496
  434   1HD   PRO  54          1HD       PRO  54   4.252   1.646  -1.292
  435   2HD   PRO  54          2HD       PRO  54   5.092   0.086  -1.427
  436    H    ALA  55           H        ALA  55   4.927   1.351   4.100
  437    HA   ALA  55           HA       ALA  55   2.354   2.454   4.378
  438   1HB   ALA  55          1HB       ALA  55   3.034   2.858   6.740
  439   2HB   ALA  55          2HB       ALA  55   4.664   2.348   6.305
  440   3HB   ALA  55          3HB       ALA  55   3.320   1.211   6.177
  441    H    ALA  56           H        ALA  56   5.524   3.925   4.110
  442    HA   ALA  56           HA       ALA  56   4.755   6.558   4.902
  443   1HB   ALA  56          1HB       ALA  56   7.098   5.660   4.899
  444   2HB   ALA  56          2HB       ALA  56   6.913   7.243   4.146
  445   3HB   ALA  56          3HB       ALA  56   7.083   5.802   3.140
  446    H    TYR  57           H        TYR  57   3.931   4.778   2.234
  447    HA   TYR  57           HA       TYR  57   3.829   7.111   0.429
  448   1HB   TYR  57          1HB       TYR  57   3.734   4.139  -0.050
  449   2HB   TYR  57          2HB       TYR  57   3.091   5.260  -1.249
  450    HD1  TYR  57           HD1      TYR  57   4.510   5.438  -3.025
  451    HD2  TYR  57           HD2      TYR  57   6.180   5.253   0.883
  452    HE1  TYR  57           HE1      TYR  57   6.750   5.726  -3.977
  453    HE2  TYR  57           HE2      TYR  57   8.423   5.556  -0.053
  454    HH   TYR  57           HH       TYR  57   9.634   5.401  -2.023
  455    H    VAL  58           H        VAL  58   2.016   5.743   2.711
  456    HA   VAL  58           HA       VAL  58  -0.475   6.467   1.363
  457    HB   VAL  58           HB       VAL  58   0.353   3.849   2.068
  458   1HG1  VAL  58          1HG1      VAL  58  -1.931   4.862   3.703
  459   2HG1  VAL  58          2HG1      VAL  58  -0.488   3.996   4.231
  460   3HG1  VAL  58          3HG1      VAL  58  -1.730   3.160   3.294
  461   1HG2  VAL  58          1HG2      VAL  58  -0.871   4.497   0.056
  462   2HG2  VAL  58          2HG2      VAL  58  -2.303   4.805   1.039
  463   3HG2  VAL  58          3HG2      VAL  58  -1.648   3.170   0.920
  464    H    LYS  59           H        LYS  59  -2.129   7.219   2.750
  465    HA   LYS  59           HA       LYS  59  -1.365   7.677   5.554
  466   1HB   LYS  59          1HB       LYS  59  -0.866   9.800   4.787
  467   2HB   LYS  59          2HB       LYS  59  -1.980   9.679   3.435
  468   1HG   LYS  59          1HG       LYS  59  -3.636   9.701   5.647
  469   2HG   LYS  59          2HG       LYS  59  -2.358  10.849   6.050
  470   1HD   LYS  59          1HD       LYS  59  -3.069  12.337   4.536
  471   2HD   LYS  59          2HD       LYS  59  -3.299  11.096   3.302
  472   1HE   LYS  59          1HE       LYS  59  -5.427  12.081   3.766
  473   2HE   LYS  59          2HE       LYS  59  -5.421  10.451   4.442
  474   1HZ   LYS  59          1HZ       LYS  59  -4.820  12.879   6.043
  475   2HZ   LYS  59          2HZ       LYS  59  -5.132  11.314   6.615
  476   3HZ   LYS  59          3HZ       LYS  59  -6.376  12.217   5.897
  477    H    LYS  60           H        LYS  60  -2.981   7.529   7.014
  478    HA   LYS  60           HA       LYS  60  -5.377   6.191   6.401
  479   1HB   LYS  60          1HB       LYS  60  -4.247   7.437   8.818
  480   2HB   LYS  60          2HB       LYS  60  -5.983   7.590   8.723
  481   1HG   LYS  60          1HG       LYS  60  -5.328   5.679  10.052
  482   2HG   LYS  60          2HG       LYS  60  -6.225   5.173   8.627
  483   1HD   LYS  60          1HD       LYS  60  -4.409   4.203   7.680
  484   2HD   LYS  60          2HD       LYS  60  -3.270   5.281   8.450
  485   1HE   LYS  60          1HE       LYS  60  -3.121   2.966   9.326
  486   2HE   LYS  60          2HE       LYS  60  -3.584   4.105  10.564
  487   1HZ   LYS  60          1HZ       LYS  60  -5.514   2.402   9.102
  488   2HZ   LYS  60          2HZ       LYS  60  -5.832   3.385  10.444
  489   3HZ   LYS  60          3HZ       LYS  60  -4.849   2.016  10.609
  490    H    LEU  61           H        LEU  61  -7.201   6.874   5.495
  491    HA   LEU  61           HA       LEU  61  -7.618   9.726   5.108
  492   1HB   LEU  61          1HB       LEU  61  -9.055   7.269   4.146
  493   2HB   LEU  61          2HB       LEU  61  -9.754   8.862   3.947
  494    HG   LEU  61           HG       LEU  61  -7.040   8.133   2.869
  495   1HD1  LEU  61          1HD1      LEU  61  -8.812   6.672   1.966
  496   2HD1  LEU  61          2HD1      LEU  61  -8.094   7.732   0.753
  497   3HD1  LEU  61          3HD1      LEU  61  -9.680   8.110   1.427
  498   1HD2  LEU  61          1HD2      LEU  61  -7.149  10.441   2.862
  499   2HD2  LEU  61          2HD2      LEU  61  -8.897  10.461   2.629
  500   3HD2  LEU  61          3HD2      LEU  61  -7.833  10.055   1.283
  501    H    ASP  62           H        ASP  62  -8.541   7.331   7.282
  502    HA   ASP  62           HA       ASP  62 -10.725   9.006   8.335
  503   1HB   ASP  62          1HB       ASP  62 -11.441   6.753   7.502
  504   2HB   ASP  62          2HB       ASP  62 -10.390   6.020   8.707
  505   1H    ACE   0          1H        ACE   0   4.926 -12.239   2.738
  506   2H    ACE   0          2H        ACE   0   3.873 -11.528   1.518
  507   3H    ACE   0          3H        ACE   0   3.227 -11.836   3.129
  508    H    ALA   1           H        ALA   1   4.302 -10.691   4.927
  509    HA   ALA   1           HA       ALA   1   4.562  -7.898   4.241
  510   1HB   ALA   1          1HB       ALA   1   4.563  -7.497   6.618
  511   2HB   ALA   1          2HB       ALA   1   4.835  -9.208   6.946
  512   3HB   ALA   1          3HB       ALA   1   3.308  -8.678   6.242
  513    HA   PRO   2           HA       PRO   2   9.021  -8.339   3.807
  514   1HB   PRO   2          1HB       PRO   2   8.860  -5.438   3.316
  515   2HB   PRO   2          2HB       PRO   2   9.480  -6.723   2.274
  516   1HG   PRO   2          1HG       PRO   2   7.170  -5.481   1.726
  517   2HG   PRO   2          2HG       PRO   2   7.392  -7.212   1.408
  518   1HD   PRO   2          1HD       PRO   2   5.987  -5.874   3.694
  519   2HD   PRO   2          2HD       PRO   2   5.489  -7.290   2.740
  520    H    SER   3           H        SER   3  10.763  -7.864   5.090
  521    HA   SER   3           HA       SER   3  10.202  -6.202   7.462
  522   1HB   SER   3          1HB       SER   3  12.325  -8.320   7.449
  523   2HB   SER   3          2HB       SER   3  11.365  -7.705   8.795
  524    HG   SER   3           HG       SER   3   9.547  -8.788   7.884
  525    H    TYR   4           H        TYR   4  10.954  -4.552   5.721
  526    HA   TYR   4           HA       TYR   4  13.567  -3.700   6.456
  527   1HB   TYR   4          1HB       TYR   4  14.576  -3.676   4.206
  528   2HB   TYR   4          2HB       TYR   4  14.259  -5.315   4.755
  529    HD1  TYR   4           HD1      TYR   4  13.260  -2.694   2.383
  530    HD2  TYR   4           HD2      TYR   4  12.645  -6.710   3.638
  531    HE1  TYR   4           HE1      TYR   4  12.031  -3.147   0.302
  532    HE2  TYR   4           HE2      TYR   4  11.414  -7.175   1.564
  533    HH   TYR   4           HH       TYR   4  10.312  -6.156  -0.200
  534    H    SER   5           H        SER   5  14.139  -1.622   5.290
  535    HA   SER   5           HA       SER   5  11.770   0.019   5.256
  536   1HB   SER   5          1HB       SER   5  14.639   0.825   4.747
  537   2HB   SER   5          2HB       SER   5  13.299   1.890   5.181
  538    HG   SER   5           HG       SER   5  13.400   0.002   7.028
  539    HA   PRO   6           HA       PRO   6  11.307  -0.108   0.835
  540   1HB   PRO   6          1HB       PRO   6   9.333   1.711   0.631
  541   2HB   PRO   6          2HB       PRO   6   9.055   0.104   1.316
  542   1HG   PRO   6          1HG       PRO   6   9.482   2.715   2.714
  543   2HG   PRO   6          2HG       PRO   6   8.312   1.432   3.072
  544   1HD   PRO   6          1HD       PRO   6  10.660   1.748   4.430
  545   2HD   PRO   6          2HD       PRO   6   9.848   0.183   4.229
  546    HA   PRO   7           HA       PRO   7  13.642   3.189  -0.975
  547   1HB   PRO   7          1HB       PRO   7  12.068   3.913  -3.133
  548   2HB   PRO   7          2HB       PRO   7  13.181   2.542  -3.115
  549   1HG   PRO   7          1HG       PRO   7  10.223   2.594  -2.684
  550   2HG   PRO   7          2HG       PRO   7  11.207   1.421  -3.580
  551   1HD   PRO   7          1HD       PRO   7  10.289   0.876  -1.125
  552   2HD   PRO   7          2HD       PRO   7  11.898   0.334  -1.648
  553    HA   PRO   8           HA       PRO   8  12.008   6.836   1.021
  554   1HB   PRO   8          1HB       PRO   8  13.777   8.572  -0.271
  555   2HB   PRO   8          2HB       PRO   8  14.074   7.748   1.261
  556   1HG   PRO   8          1HG       PRO   8  14.976   7.028  -1.484
  557   2HG   PRO   8          2HG       PRO   8  15.819   6.843   0.064
  558   1HD   PRO   8          1HD       PRO   8  14.698   4.749  -1.176
  559   2HD   PRO   8          2HD       PRO   8  14.682   4.894   0.594
  560    HA   PRO   9           HA       PRO   9   8.961   8.143  -1.953
  561   1HB   PRO   9          1HB       PRO   9   8.978  10.516  -0.134
  562   2HB   PRO   9          2HB       PRO   9   7.612   9.574  -0.742
  563   1HG   PRO   9          1HG       PRO   9   8.456   9.237   1.748
  564   2HG   PRO   9          2HG       PRO   9   7.961   7.842   0.769
  565   1HD   PRO   9          1HD       PRO   9  10.701   8.764   1.514
  566   2HD   PRO   9          2HD       PRO   9  10.077   7.113   1.315
  567    HA   PRO  10           HA       PRO  10  11.526  10.736  -4.528
  568   1HB   PRO  10          1HB       PRO  10   9.145  10.854  -6.252
  569   2HB   PRO  10          2HB       PRO  10  10.750  10.204  -6.601
  570   1HG   PRO  10          1HG       PRO  10   8.621   8.604  -6.270
  571   2HG   PRO  10          2HG       PRO  10  10.243   8.128  -5.735
  572   1HD   PRO  10          1HD       PRO  10   7.952   9.192  -4.123
  573   2HD   PRO  10          2HD       PRO  10   9.084   7.877  -3.739
  Start of MODEL   20
    1   1H    MET   1          1H        MET   1 -10.064  -7.548  -2.867
    2   2H    MET   1          2H        MET   1  -9.589  -9.169  -3.021
    3   3H    MET   1          3H        MET   1 -10.097  -8.572  -1.515
    4    HA   MET   1           HA       MET   1 -11.795  -8.781  -3.932
    5   1HB   MET   1          1HB       MET   1 -10.971 -10.829  -2.254
    6   2HB   MET   1          2HB       MET   1 -12.533 -10.368  -1.589
    7   1HG   MET   1          1HG       MET   1 -11.996 -11.155  -4.443
    8   2HG   MET   1          2HG       MET   1 -12.743 -12.168  -3.211
    9   1HE   MET   1          1HE       MET   1 -14.595 -12.477  -5.244
   10   2HE   MET   1          2HE       MET   1 -13.835 -11.222  -6.223
   11   3HE   MET   1          3HE       MET   1 -15.559 -11.135  -5.863
   12    H    ASP   2           H        ASP   2 -11.616  -6.362  -2.798
   13    HA   ASP   2           HA       ASP   2 -14.135  -6.164  -1.274
   14   1HB   ASP   2          1HB       ASP   2 -11.912  -5.868   0.132
   15   2HB   ASP   2          2HB       ASP   2 -11.893  -4.270  -0.610
   16    H    GLU   3           H        GLU   3 -14.512  -3.578  -1.078
   17    HA   GLU   3           HA       GLU   3 -13.897  -2.302  -3.660
   18   1HB   GLU   3          1HB       GLU   3 -16.758  -2.885  -2.726
   19   2HB   GLU   3          2HB       GLU   3 -16.407  -1.607  -3.891
   20   1HG   GLU   3          1HG       GLU   3 -15.239  -3.441  -5.243
   21   2HG   GLU   3          2HG       GLU   3 -16.062  -4.577  -4.176
   22    H    THR   4           H        THR   4 -12.654  -1.517  -1.607
   23    HA   THR   4           HA       THR   4 -12.175   0.098  -0.085
   24    HB   THR   4           HB       THR   4 -12.893   2.393  -0.636
   25    HG1  THR   4           HG1      THR   4 -14.869   1.059  -1.980
   26   1HG2  THR   4          1HG2      THR   4 -11.901   2.553  -2.858
   27   2HG2  THR   4          2HG2      THR   4 -12.108   0.820  -3.094
   28   3HG2  THR   4          3HG2      THR   4 -11.000   1.414  -1.858
   29    H    GLY   5           H        GLY   5 -14.303  -1.648   0.695
   30   1HA   GLY   5          1HA       GLY   5 -16.156   0.153   2.109
   31   2HA   GLY   5          2HA       GLY   5 -16.389  -1.571   1.867
   32    H    LYS   6           H        LYS   6 -13.912   0.534   3.302
   33    HA   LYS   6           HA       LYS   6 -14.222  -0.107   5.949
   34   1HB   LYS   6          1HB       LYS   6 -12.476  -1.763   6.397
   35   2HB   LYS   6          2HB       LYS   6 -13.751  -2.433   5.394
   36   1HG   LYS   6          1HG       LYS   6 -12.262  -1.954   3.406
   37   2HG   LYS   6          2HG       LYS   6 -10.990  -1.613   4.580
   38   1HD   LYS   6          1HD       LYS   6 -11.338  -4.021   3.503
   39   2HD   LYS   6          2HD       LYS   6 -10.725  -3.792   5.138
   40   1HE   LYS   6          1HE       LYS   6 -12.421  -5.504   5.146
   41   2HE   LYS   6          2HE       LYS   6 -13.014  -4.086   6.007
   42   1HZ   LYS   6          1HZ       LYS   6 -14.651  -5.129   4.491
   43   2HZ   LYS   6          2HZ       LYS   6 -13.675  -4.703   3.171
   44   3HZ   LYS   6          3HZ       LYS   6 -14.362  -3.497   4.145
   45    H    GLU   7           H        GLU   7 -11.406  -0.467   6.530
   46    HA   GLU   7           HA       GLU   7 -10.546   2.141   6.828
   47   1HB   GLU   7          1HB       GLU   7  -9.519  -0.454   7.318
   48   2HB   GLU   7          2HB       GLU   7  -8.271   0.415   6.449
   49   1HG   GLU   7          1HG       GLU   7  -9.471   1.034   9.122
   50   2HG   GLU   7          2HG       GLU   7  -7.792   0.738   8.704
   51    H    LEU   8           H        LEU   8 -10.082   3.601   5.332
   52    HA   LEU   8           HA       LEU   8  -8.855   2.676   2.827
   53   1HB   LEU   8          1HB       LEU   8 -10.600   5.067   3.354
   54   2HB   LEU   8          2HB       LEU   8  -9.747   4.791   1.844
   55    HG   LEU   8           HG       LEU   8 -11.786   2.937   3.026
   56   1HD1  LEU   8          1HD1      LEU   8 -13.252   3.668   1.185
   57   2HD1  LEU   8          2HD1      LEU   8 -12.058   4.886   0.740
   58   3HD1  LEU   8          3HD1      LEU   8 -12.877   4.981   2.301
   59   1HD2  LEU   8          1HD2      LEU   8 -11.722   1.930   0.728
   60   2HD2  LEU   8          2HD2      LEU   8 -10.286   1.677   1.716
   61   3HD2  LEU   8          3HD2      LEU   8 -10.271   2.889   0.435
   62    H    VAL   9           H        VAL   9  -7.328   3.906   1.848
   63    HA   VAL   9           HA       VAL   9  -5.977   5.930   3.484
   64    HB   VAL   9           HB       VAL   9  -3.774   4.909   2.586
   65   1HG1  VAL   9          1HG1      VAL   9  -3.575   3.476   4.554
   66   2HG1  VAL   9          2HG1      VAL   9  -5.321   3.592   4.797
   67   3HG1  VAL   9          3HG1      VAL   9  -4.310   5.036   4.921
   68   1HG2  VAL   9          1HG2      VAL   9  -5.564   2.491   2.494
   69   2HG2  VAL   9          2HG2      VAL   9  -3.805   2.479   2.369
   70   3HG2  VAL   9          3HG2      VAL   9  -4.771   3.260   1.118
   71    H    LEU  10           H        LEU  10  -4.485   7.225   2.322
   72    HA   LEU  10           HA       LEU  10  -5.240   7.522  -0.511
   73   1HB   LEU  10          1HB       LEU  10  -5.868   9.448   0.800
   74   2HB   LEU  10          2HB       LEU  10  -4.266   9.544   1.508
   75    HG   LEU  10           HG       LEU  10  -3.507   9.863  -0.989
   76   1HD1  LEU  10          1HD1      LEU  10  -5.252  11.251  -2.177
   77   2HD1  LEU  10          2HD1      LEU  10  -6.425  10.574  -1.046
   78   3HD1  LEU  10          3HD1      LEU  10  -5.529   9.510  -2.132
   79   1HD2  LEU  10          1HD2      LEU  10  -3.688  12.275  -0.701
   80   2HD2  LEU  10          2HD2      LEU  10  -3.205  11.487   0.802
   81   3HD2  LEU  10          3HD2      LEU  10  -4.868  12.041   0.588
   82    H    ALA  11           H        ALA  11  -3.684   7.438  -2.035
   83    HA   ALA  11           HA       ALA  11  -1.027   6.667  -1.188
   84   1HB   ALA  11          1HB       ALA  11  -1.673   7.109  -4.060
   85   2HB   ALA  11          2HB       ALA  11  -2.483   5.784  -3.214
   86   3HB   ALA  11          3HB       ALA  11  -0.721   5.834  -3.296
   87    H    LEU  12           H        LEU  12   0.360   8.216  -0.647
   88    HA   LEU  12           HA       LEU  12   0.140  10.910  -1.482
   89   1HB   LEU  12          1HB       LEU  12   2.166   9.335   0.067
   90   2HB   LEU  12          2HB       LEU  12   2.478  11.008  -0.387
   91    HG   LEU  12           HG       LEU  12   0.352  11.636   0.778
   92   1HD1  LEU  12          1HD1      LEU  12   0.466   8.776   1.655
   93   2HD1  LEU  12          2HD1      LEU  12  -0.853   9.626   0.846
   94   3HD1  LEU  12          3HD1      LEU  12  -0.441  10.020   2.516
   95   1HD2  LEU  12          1HD2      LEU  12   1.324  11.477   3.052
   96   2HD2  LEU  12          2HD2      LEU  12   2.499  12.015   1.849
   97   3HD2  LEU  12          3HD2      LEU  12   2.528  10.349   2.427
   98    H    TYR  13           H        TYR  13   2.127   8.205  -2.573
   99    HA   TYR  13           HA       TYR  13   3.040   9.872  -4.803
  100   1HB   TYR  13          1HB       TYR  13   5.062   8.005  -3.665
  101   2HB   TYR  13          2HB       TYR  13   5.296   9.542  -4.482
  102    HD1  TYR  13           HD1      TYR  13   5.174  11.652  -3.227
  103    HD2  TYR  13           HD2      TYR  13   4.787   7.886  -1.283
  104    HE1  TYR  13           HE1      TYR  13   5.577  12.740  -1.058
  105    HE2  TYR  13           HE2      TYR  13   5.182   8.962   0.892
  106    HH   TYR  13           HH       TYR  13   5.643  12.487   1.146
  107    H    ASP  14           H        ASP  14   4.290   8.376  -6.409
  108    HA   ASP  14           HA       ASP  14   2.562   6.142  -6.968
  109   1HB   ASP  14          1HB       ASP  14   3.771   6.014  -9.116
  110   2HB   ASP  14          2HB       ASP  14   3.230   7.665  -8.815
  111    H    TYR  15           H        TYR  15   3.217   4.049  -7.028
  112    HA   TYR  15           HA       TYR  15   5.961   3.401  -6.289
  113   1HB   TYR  15          1HB       TYR  15   4.801   3.552  -4.134
  114   2HB   TYR  15          2HB       TYR  15   3.580   2.412  -4.699
  115    HD1  TYR  15           HD1      TYR  15   3.858   0.154  -4.225
  116    HD2  TYR  15           HD2      TYR  15   7.267   2.701  -4.270
  117    HE1  TYR  15           HE1      TYR  15   5.271  -1.724  -3.492
  118    HE2  TYR  15           HE2      TYR  15   8.678   0.838  -3.547
  119    HH   TYR  15           HH       TYR  15   7.512  -2.433  -3.413
  120    H    GLN  16           H        GLN  16   6.636   1.397  -6.995
  121    HA   GLN  16           HA       GLN  16   4.677  -0.098  -8.633
  122   1HB   GLN  16          1HB       GLN  16   6.748   1.145  -9.694
  123   2HB   GLN  16          2HB       GLN  16   7.635  -0.250  -9.097
  124   1HG   GLN  16          1HG       GLN  16   7.136  -1.147 -11.077
  125   2HG   GLN  16          2HG       GLN  16   5.559  -1.457 -10.353
  126   1HE2  GLN  16          1HE2      GLN  16   4.881   1.400 -10.326
  127   2HE2  GLN  16          2HE2      GLN  16   4.493   1.810 -11.962
  128    H    GLU  17           H        GLU  17   4.446  -2.219  -8.219
  129    HA   GLU  17           HA       GLU  17   5.363  -3.316  -5.805
  130   1HB   GLU  17          1HB       GLU  17   4.435  -5.455  -6.700
  131   2HB   GLU  17          2HB       GLU  17   3.319  -4.097  -6.765
  132   1HG   GLU  17          1HG       GLU  17   4.178  -3.806  -9.179
  133   2HG   GLU  17          2HG       GLU  17   4.757  -5.461  -8.998
  134    H    LYS  18           H        LYS  18   7.009  -4.645  -5.245
  135    HA   LYS  18           HA       LYS  18   9.016  -5.187  -7.334
  136   1HB   LYS  18          1HB       LYS  18   9.326  -5.344  -4.330
  137   2HB   LYS  18          2HB       LYS  18  10.608  -5.537  -5.519
  138   1HG   LYS  18          1HG       LYS  18  10.323  -3.196  -6.206
  139   2HG   LYS  18          2HG       LYS  18   9.029  -3.005  -5.020
  140   1HD   LYS  18          1HD       LYS  18  11.822  -3.855  -4.256
  141   2HD   LYS  18          2HD       LYS  18  11.335  -2.163  -4.353
  142   1HE   LYS  18          1HE       LYS  18  11.137  -2.833  -2.069
  143   2HE   LYS  18          2HE       LYS  18   9.508  -2.677  -2.719
  144   1HZ   LYS  18          1HZ       LYS  18   9.162  -4.927  -2.657
  145   2HZ   LYS  18          2HZ       LYS  18  10.172  -4.743  -1.309
  146   3HZ   LYS  18          3HZ       LYS  18  10.812  -5.313  -2.767
  147    H    SER  19           H        SER  19   7.260  -6.779  -4.685
  148    HA   SER  19           HA       SER  19   8.109  -9.375  -5.776
  149   1HB   SER  19          1HB       SER  19   7.652 -10.270  -3.516
  150   2HB   SER  19          2HB       SER  19   8.825  -8.948  -3.453
  151    HG   SER  19           HG       SER  19   7.290  -7.594  -2.633
  152    HA   PRO  20           HA       PRO  20   3.929 -10.536  -6.761
  153   1HB   PRO  20          1HB       PRO  20   4.220 -12.947  -5.044
  154   2HB   PRO  20          2HB       PRO  20   3.824 -12.839  -6.767
  155   1HG   PRO  20          1HG       PRO  20   6.219 -13.658  -6.034
  156   2HG   PRO  20          2HG       PRO  20   6.065 -12.492  -7.368
  157   1HD   PRO  20          1HD       PRO  20   6.736 -11.978  -4.484
  158   2HD   PRO  20          2HD       PRO  20   7.567 -11.380  -5.940
  159    H    ALA  21           H        ALA  21   4.889 -10.006  -3.582
  160    HA   ALA  21           HA       ALA  21   2.147 -10.163  -2.548
  161   1HB   ALA  21          1HB       ALA  21   3.222  -9.975  -0.306
  162   2HB   ALA  21          2HB       ALA  21   4.794 -10.052  -1.102
  163   3HB   ALA  21          3HB       ALA  21   3.688 -11.424  -1.196
  164    H    GLU  22           H        GLU  22   3.547  -8.133  -4.265
  165    HA   GLU  22           HA       GLU  22   3.021  -5.770  -2.593
  166   1HB   GLU  22          1HB       GLU  22   5.328  -6.408  -4.319
  167   2HB   GLU  22          2HB       GLU  22   4.647  -4.808  -4.564
  168   1HG   GLU  22          1HG       GLU  22   5.161  -4.118  -2.444
  169   2HG   GLU  22          2HG       GLU  22   5.272  -5.761  -1.808
  170    H    VAL  23           H        VAL  23   2.161  -3.927  -3.758
  171    HA   VAL  23           HA       VAL  23   1.025  -4.582  -6.380
  172    HB   VAL  23           HB       VAL  23  -1.100  -3.337  -5.629
  173   1HG1  VAL  23          1HG1      VAL  23  -0.454  -6.114  -4.698
  174   2HG1  VAL  23          2HG1      VAL  23  -1.191  -5.629  -6.228
  175   3HG1  VAL  23          3HG1      VAL  23  -2.079  -5.433  -4.720
  176   1HG2  VAL  23          1HG2      VAL  23  -1.002  -2.512  -3.561
  177   2HG2  VAL  23          2HG2      VAL  23   0.305  -3.594  -3.086
  178   3HG2  VAL  23          3HG2      VAL  23  -1.362  -4.160  -3.048
  179    H    THR  24           H        THR  24   0.552  -2.816  -7.696
  180    HA   THR  24           HA       THR  24   2.283  -0.548  -7.206
  181    HB   THR  24           HB       THR  24   0.595  -1.253  -9.610
  182    HG1  THR  24           HG1      THR  24   2.192  -2.799  -9.321
  183   1HG2  THR  24          1HG2      THR  24   1.118   1.129  -9.564
  184   2HG2  THR  24          2HG2      THR  24   2.031   0.315 -10.833
  185   3HG2  THR  24          3HG2      THR  24   2.826   0.760  -9.323
  186    H    MET  25           H        MET  25   1.670   1.503  -6.810
  187    HA   MET  25           HA       MET  25  -1.195   2.160  -6.853
  188   1HB   MET  25          1HB       MET  25  -1.061   3.310  -4.731
  189   2HB   MET  25          2HB       MET  25  -0.516   1.647  -4.515
  190   1HG   MET  25          1HG       MET  25   1.703   2.279  -4.256
  191   2HG   MET  25          2HG       MET  25   1.445   3.858  -5.011
  192   1HE   MET  25          1HE       MET  25  -1.304   2.730  -2.647
  193   2HE   MET  25          2HE       MET  25  -0.706   3.116  -1.033
  194   3HE   MET  25          3HE       MET  25  -0.016   1.762  -1.926
  195    H    LYS  26           H        LYS  26  -1.626   4.477  -6.924
  196    HA   LYS  26           HA       LYS  26   0.622   6.048  -7.961
  197   1HB   LYS  26          1HB       LYS  26  -2.135   5.895  -9.201
  198   2HB   LYS  26          2HB       LYS  26  -0.890   7.037  -9.676
  199   1HG   LYS  26          1HG       LYS  26  -0.604   5.455 -11.276
  200   2HG   LYS  26          2HG       LYS  26   0.511   4.843 -10.053
  201   1HD   LYS  26          1HD       LYS  26  -0.624   2.918 -10.495
  202   2HD   LYS  26          2HD       LYS  26  -1.682   3.574  -9.248
  203   1HE   LYS  26          1HE       LYS  26  -2.101   3.992 -12.204
  204   2HE   LYS  26          2HE       LYS  26  -2.862   2.701 -11.274
  205   1HZ   LYS  26          1HZ       LYS  26  -3.282   5.619 -11.055
  206   2HZ   LYS  26          2HZ       LYS  26  -3.719   4.567  -9.794
  207   3HZ   LYS  26          3HZ       LYS  26  -4.432   4.399 -11.325
  208    H    LYS  27           H        LYS  27   0.474   8.303  -7.646
  209    HA   LYS  27           HA       LYS  27  -0.732   9.084  -5.235
  210   1HB   LYS  27          1HB       LYS  27   1.112  10.382  -5.838
  211   2HB   LYS  27          2HB       LYS  27   0.569  10.571  -7.498
  212   1HG   LYS  27          1HG       LYS  27   0.355  12.680  -6.459
  213   2HG   LYS  27          2HG       LYS  27  -1.278  12.032  -6.622
  214   1HD   LYS  27          1HD       LYS  27  -1.451  11.563  -4.343
  215   2HD   LYS  27          2HD       LYS  27   0.296  11.627  -4.101
  216   1HE   LYS  27          1HE       LYS  27  -0.469  14.147  -5.091
  217   2HE   LYS  27          2HE       LYS  27  -1.648  13.718  -3.853
  218   1HZ   LYS  27          1HZ       LYS  27   0.125  13.369  -2.286
  219   2HZ   LYS  27          2HZ       LYS  27   0.288  14.913  -2.962
  220   3HZ   LYS  27          3HZ       LYS  27   1.301  13.657  -3.477
  221    H    GLY  28           H        GLY  28  -2.745   9.619  -4.775
  222   1HA   GLY  28          1HA       GLY  28  -4.754  10.916  -5.233
  223   2HA   GLY  28          2HA       GLY  28  -4.465  10.645  -6.955
  224    H    ASP  29           H        ASP  29  -3.761   7.786  -5.626
  225    HA   ASP  29           HA       ASP  29  -6.357   6.677  -6.305
  226   1HB   ASP  29          1HB       ASP  29  -3.609   5.742  -6.325
  227   2HB   ASP  29          2HB       ASP  29  -4.663   4.602  -5.485
  228    H    ILE  30           H        ILE  30  -7.675   5.603  -4.898
  229    HA   ILE  30           HA       ILE  30  -7.021   5.921  -2.057
  230    HB   ILE  30           HB       ILE  30  -9.639   5.563  -3.517
  231   1HG1  ILE  30          1HG1      ILE  30 -10.305   7.561  -2.236
  232   2HG1  ILE  30          2HG1      ILE  30  -8.745   7.584  -1.432
  233   1HG2  ILE  30          1HG2      ILE  30  -9.211   5.239  -0.550
  234   2HG2  ILE  30          2HG2      ILE  30  -9.707   3.981  -1.683
  235   3HG2  ILE  30          3HG2      ILE  30 -10.778   5.342  -1.354
  236   1HD1  ILE  30          1HD1      ILE  30  -8.807   9.251  -3.160
  237   2HD1  ILE  30          2HD1      ILE  30  -9.276   8.047  -4.360
  238   3HD1  ILE  30          3HD1      ILE  30  -7.672   7.983  -3.626
  239    H    LEU  31           H        LEU  31  -6.244   4.246  -1.045
  240    HA   LEU  31           HA       LEU  31  -6.588   1.571  -2.198
  241   1HB   LEU  31          1HB       LEU  31  -4.567   2.832  -0.407
  242   2HB   LEU  31          2HB       LEU  31  -4.784   1.102  -0.349
  243    HG   LEU  31           HG       LEU  31  -2.897   1.819  -1.772
  244   1HD1  LEU  31          1HD1      LEU  31  -5.141   0.414  -3.195
  245   2HD1  LEU  31          2HD1      LEU  31  -3.933  -0.323  -2.141
  246   3HD1  LEU  31          3HD1      LEU  31  -3.447   0.390  -3.680
  247   1HD2  LEU  31          1HD2      LEU  31  -5.012   2.931  -3.608
  248   2HD2  LEU  31          2HD2      LEU  31  -3.276   2.857  -3.914
  249   3HD2  LEU  31          3HD2      LEU  31  -3.903   3.898  -2.636
  250    H    THR  32           H        THR  32  -7.267  -0.149  -0.967
  251    HA   THR  32           HA       THR  32  -8.767   0.531   1.448
  252    HB   THR  32           HB       THR  32  -8.838  -2.066  -0.104
  253    HG1  THR  32           HG1      THR  32  -9.952  -0.938  -1.520
  254   1HG2  THR  32          1HG2      THR  32 -10.742  -0.878   1.913
  255   2HG2  THR  32          2HG2      THR  32  -9.597  -2.183   2.230
  256   3HG2  THR  32          3HG2      THR  32 -10.927  -2.431   1.095
  257    H    LEU  33           H        LEU  33  -7.954   0.037   3.379
  258    HA   LEU  33           HA       LEU  33  -5.449  -1.341   3.602
  259   1HB   LEU  33          1HB       LEU  33  -7.184   0.219   5.353
  260   2HB   LEU  33          2HB       LEU  33  -6.401  -1.122   6.167
  261    HG   LEU  33           HG       LEU  33  -5.038   1.123   4.693
  262   1HD1  LEU  33          1HD1      LEU  33  -5.109   0.400   7.617
  263   2HD1  LEU  33          2HD1      LEU  33  -5.979   1.737   6.866
  264   3HD1  LEU  33          3HD1      LEU  33  -4.214   1.736   6.897
  265   1HD2  LEU  33          1HD2      LEU  33  -3.760  -0.923   4.402
  266   2HD2  LEU  33          2HD2      LEU  33  -3.846  -1.250   6.132
  267   3HD2  LEU  33          3HD2      LEU  33  -2.939   0.144   5.542
  268    H    LEU  34           H        LEU  34  -5.089  -3.380   3.969
  269    HA   LEU  34           HA       LEU  34  -7.323  -5.100   4.808
  270   1HB   LEU  34          1HB       LEU  34  -4.824  -5.924   3.334
  271   2HB   LEU  34          2HB       LEU  34  -6.248  -6.898   3.625
  272    HG   LEU  34           HG       LEU  34  -6.174  -4.437   1.877
  273   1HD1  LEU  34          1HD1      LEU  34  -4.894  -6.228   0.886
  274   2HD1  LEU  34          2HD1      LEU  34  -6.411  -6.006   0.015
  275   3HD1  LEU  34          3HD1      LEU  34  -6.227  -7.354   1.138
  276   1HD2  LEU  34          1HD2      LEU  34  -8.350  -5.516   3.128
  277   2HD2  LEU  34          2HD2      LEU  34  -8.365  -6.348   1.574
  278   3HD2  LEU  34          3HD2      LEU  34  -8.392  -4.584   1.631
  279    H    ASN  35           H        ASN  35  -3.951  -4.303   5.287
  280    HA   ASN  35           HA       ASN  35  -4.053  -5.263   8.016
  281   1HB   ASN  35          1HB       ASN  35  -3.303  -7.259   6.685
  282   2HB   ASN  35          2HB       ASN  35  -1.918  -6.317   6.145
  283   1HD2  ASN  35          1HD2      ASN  35  -3.344  -8.084   8.730
  284   2HD2  ASN  35          2HD2      ASN  35  -1.980  -8.025   9.806
  285    H    SER  36           H        SER  36  -2.737  -4.047   9.328
  286    HA   SER  36           HA       SER  36  -0.677  -2.401   8.073
  287   1HB   SER  36          1HB       SER  36  -1.582  -0.421   9.417
  288   2HB   SER  36          2HB       SER  36  -2.521  -0.902   7.997
  289    HG   SER  36           HG       SER  36  -3.236  -0.847  10.610
  290    H    THR  37           H        THR  37  -0.452  -4.706   9.761
  291    HA   THR  37           HA       THR  37   0.113  -3.763  12.429
  292    HB   THR  37           HB       THR  37  -0.712  -6.098  11.856
  293    HG1  THR  37           HG1      THR  37   0.422  -6.948  13.633
  294   1HG2  THR  37          1HG2      THR  37   2.207  -6.455  11.186
  295   2HG2  THR  37          2HG2      THR  37   0.838  -6.684  10.096
  296   3HG2  THR  37          3HG2      THR  37   1.071  -7.775  11.462
  297    H    ASN  38           H        ASN  38   1.718  -3.644   9.529
  298    HA   ASN  38           HA       ASN  38   4.392  -3.678  10.739
  299   1HB   ASN  38          1HB       ASN  38   3.917  -5.025   8.666
  300   2HB   ASN  38          2HB       ASN  38   3.598  -3.523   7.826
  301   1HD2  ASN  38          1HD2      ASN  38   5.588  -5.557   7.243
  302   2HD2  ASN  38          2HD2      ASN  38   7.129  -4.775   7.308
  303    H    LYS  39           H        LYS  39   5.703  -1.798  10.576
  304    HA   LYS  39           HA       LYS  39   4.102   0.636  10.351
  305   1HB   LYS  39          1HB       LYS  39   5.964   1.797  11.460
  306   2HB   LYS  39          2HB       LYS  39   5.316   0.473  12.409
  307   1HG   LYS  39          1HG       LYS  39   7.308  -0.486  12.552
  308   2HG   LYS  39          2HG       LYS  39   7.570  -0.395  10.818
  309   1HD   LYS  39          1HD       LYS  39   8.119   1.765  12.847
  310   2HD   LYS  39          2HD       LYS  39   9.313   0.833  11.943
  311   1HE   LYS  39          1HE       LYS  39   7.827   1.875   9.925
  312   2HE   LYS  39          2HE       LYS  39   7.704   3.157  11.126
  313   1HZ   LYS  39          1HZ       LYS  39   9.599   3.776  10.060
  314   2HZ   LYS  39          2HZ       LYS  39  10.054   2.195   9.666
  315   3HZ   LYS  39          3HZ       LYS  39  10.293   2.775  11.243
  316    H    ASP  40           H        ASP  40   6.146  -1.073   8.357
  317    HA   ASP  40           HA       ASP  40   6.838   1.394   6.893
  318   1HB   ASP  40          1HB       ASP  40   8.344  -1.208   7.124
  319   2HB   ASP  40          2HB       ASP  40   8.681  -0.028   5.853
  320    H    TRP  41           H        TRP  41   5.215  -1.604   6.759
  321    HA   TRP  41           HA       TRP  41   4.574  -1.159   3.940
  322   1HB   TRP  41          1HB       TRP  41   5.364  -3.791   5.204
  323   2HB   TRP  41          2HB       TRP  41   4.635  -3.644   3.615
  324    HD1  TRP  41           HD1      TRP  41   7.915  -3.156   5.454
  325    HE1  TRP  41           HE1      TRP  41   9.787  -2.712   3.741
  326    HE3  TRP  41           HE3      TRP  41   5.052  -2.616   1.259
  327    HZ2  TRP  41           HZ2      TRP  41  10.009  -2.200   0.980
  328    HZ3  TRP  41           HZ3      TRP  41   6.175  -2.153  -0.876
  329    HH2  TRP  41           HH2      TRP  41   8.600  -1.949  -1.012
  330    H    TRP  42           H        TRP  42   2.451  -1.175   3.558
  331    HA   TRP  42           HA       TRP  42   0.691  -2.452   5.552
  332   1HB   TRP  42          1HB       TRP  42   0.416   0.165   4.080
  333   2HB   TRP  42          2HB       TRP  42  -1.009  -0.682   4.688
  334    HD1  TRP  42           HD1      TRP  42   1.627  -1.301   7.103
  335    HE1  TRP  42           HE1      TRP  42   1.462   0.283   9.118
  336    HE3  TRP  42           HE3      TRP  42  -1.562   2.141   5.150
  337    HZ2  TRP  42           HZ2      TRP  42   0.151   2.691   9.769
  338    HZ3  TRP  42           HZ3      TRP  42  -2.234   4.076   6.530
  339    HH2  TRP  42           HH2      TRP  42  -1.384   4.334   8.791
  340    H    LYS  43           H        LYS  43  -0.756  -3.909   4.771
  341    HA   LYS  43           HA       LYS  43  -0.638  -4.493   1.930
  342   1HB   LYS  43          1HB       LYS  43  -0.633  -6.363   3.580
  343   2HB   LYS  43          2HB       LYS  43  -2.255  -5.887   4.072
  344   1HG   LYS  43          1HG       LYS  43  -3.078  -6.310   1.802
  345   2HG   LYS  43          2HG       LYS  43  -1.461  -6.796   1.306
  346   1HD   LYS  43          1HD       LYS  43  -3.393  -8.507   2.126
  347   2HD   LYS  43          2HD       LYS  43  -1.670  -8.846   2.205
  348   1HE   LYS  43          1HE       LYS  43  -1.696  -7.929   4.541
  349   2HE   LYS  43          2HE       LYS  43  -3.462  -7.854   4.420
  350   1HZ   LYS  43          1HZ       LYS  43  -2.521  -9.902   5.501
  351   2HZ   LYS  43          2HZ       LYS  43  -1.934 -10.357   3.973
  352   3HZ   LYS  43          3HZ       LYS  43  -3.602 -10.180   4.220
  353    H    VAL  44           H        VAL  44  -2.003  -3.719   0.523
  354    HA   VAL  44           HA       VAL  44  -4.694  -2.922   1.381
  355    HB   VAL  44           HB       VAL  44  -4.472  -0.911  -0.137
  356   1HG1  VAL  44          1HG1      VAL  44  -4.479  -0.603   2.248
  357   2HG1  VAL  44          2HG1      VAL  44  -3.261   0.459   1.540
  358   3HG1  VAL  44          3HG1      VAL  44  -2.770  -1.030   2.347
  359   1HG2  VAL  44          1HG2      VAL  44  -1.543  -1.592   0.090
  360   2HG2  VAL  44          2HG2      VAL  44  -2.185  -0.075  -0.536
  361   3HG2  VAL  44          3HG2      VAL  44  -2.511  -1.586  -1.385
  362    H    GLU  45           H        GLU  45  -6.042  -2.401  -0.608
  363    HA   GLU  45           HA       GLU  45  -5.309  -4.174  -2.837
  364   1HB   GLU  45          1HB       GLU  45  -7.098  -5.194  -1.488
  365   2HB   GLU  45          2HB       GLU  45  -8.059  -3.729  -1.642
  366   1HG   GLU  45          1HG       GLU  45  -7.732  -4.234  -4.225
  367   2HG   GLU  45          2HG       GLU  45  -7.538  -5.876  -3.615
  368    H    VAL  46           H        VAL  46  -5.202  -3.212  -4.726
  369    HA   VAL  46           HA       VAL  46  -6.554  -0.610  -5.095
  370    HB   VAL  46           HB       VAL  46  -4.899  -1.120  -7.309
  371   1HG1  VAL  46          1HG1      VAL  46  -4.156   0.747  -5.103
  372   2HG1  VAL  46          2HG1      VAL  46  -5.572   1.029  -6.119
  373   3HG1  VAL  46          3HG1      VAL  46  -3.968   0.940  -6.847
  374   1HG2  VAL  46          1HG2      VAL  46  -2.677  -1.315  -6.281
  375   2HG2  VAL  46          2HG2      VAL  46  -3.681  -2.753  -6.085
  376   3HG2  VAL  46          3HG2      VAL  46  -3.454  -1.642  -4.732
  377    H    ASN  47           H        ASN  47  -8.365  -0.818  -6.152
  378    HA   ASN  47           HA       ASN  47  -9.969  -1.346  -7.592
  379   1HB   ASN  47          1HB       ASN  47  -9.430  -1.813  -9.858
  380   2HB   ASN  47          2HB       ASN  47  -8.291  -0.652  -9.267
  381   1HD2  ASN  47          1HD2      ASN  47  -6.129  -1.097  -9.537
  382   2HD2  ASN  47          2HD2      ASN  47  -5.529  -2.583 -10.191
  383    H    ASP  48           H        ASP  48  -7.652  -3.931  -7.719
  384    HA   ASP  48           HA       ASP  48  -9.500  -5.880  -6.654
  385   1HB   ASP  48          1HB       ASP  48 -10.199  -5.750  -9.047
  386   2HB   ASP  48          2HB       ASP  48  -8.566  -6.220  -9.514
  387    H    ARG  49           H        ARG  49  -6.461  -4.740  -7.199
  388    HA   ARG  49           HA       ARG  49  -5.114  -7.329  -7.019
  389   1HB   ARG  49          1HB       ARG  49  -3.999  -4.545  -7.407
  390   2HB   ARG  49          2HB       ARG  49  -3.043  -6.017  -7.373
  391   1HG   ARG  49          1HG       ARG  49  -5.170  -5.370  -9.416
  392   2HG   ARG  49          2HG       ARG  49  -3.434  -5.205  -9.653
  393   1HD   ARG  49          1HD       ARG  49  -3.865  -7.248 -10.622
  394   2HD   ARG  49          2HD       ARG  49  -3.354  -7.705  -8.999
  395    HE   ARG  49           HE       ARG  49  -6.226  -7.423  -9.502
  396   1HH1  ARG  49          1HH1      ARG  49  -3.446  -9.494  -9.063
  397   2HH1  ARG  49          2HH1      ARG  49  -4.388 -10.909  -8.694
  398   1HH2  ARG  49          1HH2      ARG  49  -7.496  -9.281  -9.021
  399   2HH2  ARG  49          2HH2      ARG  49  -6.692 -10.792  -8.684
  400    H    GLN  50           H        GLN  50  -4.554  -8.116  -5.115
  401    HA   GLN  50           HA       GLN  50  -4.463  -6.306  -2.808
  402   1HB   GLN  50          1HB       GLN  50  -4.694  -9.314  -2.978
  403   2HB   GLN  50          2HB       GLN  50  -4.505  -8.434  -1.470
  404   1HG   GLN  50          1HG       GLN  50  -6.612  -7.184  -2.123
  405   2HG   GLN  50          2HG       GLN  50  -6.835  -8.419  -3.357
  406   1HE2  GLN  50          1HE2      GLN  50  -5.603 -10.453  -1.622
  407   2HE2  GLN  50          2HE2      GLN  50  -6.804 -10.861  -0.447
  408    H    GLY  51           H        GLY  51  -2.644  -5.930  -1.699
  409   1HA   GLY  51          1HA       GLY  51  -0.531  -7.589  -1.357
  410   2HA   GLY  51          2HA       GLY  51  -0.082  -6.743  -2.761
  411    H    PHE  52           H        PHE  52   1.694  -6.198  -1.202
  412    HA   PHE  52           HA       PHE  52   0.938  -4.262   0.835
  413   1HB   PHE  52          1HB       PHE  52   3.454  -5.800   0.263
  414   2HB   PHE  52          2HB       PHE  52   3.386  -4.499   1.452
  415    HD1  PHE  52           HD1      PHE  52   2.852  -4.993   3.627
  416    HD2  PHE  52           HD2      PHE  52   1.659  -7.681   0.531
  417    HE1  PHE  52           HE1      PHE  52   2.077  -6.595   5.325
  418    HE2  PHE  52           HE2      PHE  52   0.887  -9.287   2.243
  419    HZ   PHE  52           HZ       PHE  52   1.102  -8.746   4.633
  420    H    VAL  53           H        VAL  53   1.765  -2.267   1.034
  421    HA   VAL  53           HA       VAL  53   3.468  -1.159  -1.080
  422    HB   VAL  53           HB       VAL  53   2.142   0.868  -1.219
  423   1HG1  VAL  53          1HG1      VAL  53   0.344  -1.502  -1.572
  424   2HG1  VAL  53          2HG1      VAL  53   1.571  -0.977  -2.725
  425   3HG1  VAL  53          3HG1      VAL  53   0.189   0.063  -2.371
  426   1HG2  VAL  53          1HG2      VAL  53  -0.108   0.970  -0.130
  427   2HG2  VAL  53          2HG2      VAL  53   1.258   1.042   0.986
  428   3HG2  VAL  53          3HG2      VAL  53   0.348  -0.459   0.801
  429    HA   PRO  54           HA       PRO  54   5.639   0.718   2.296
  430   1HB   PRO  54          1HB       PRO  54   5.514   3.284   0.808
  431   2HB   PRO  54          2HB       PRO  54   6.930   2.405   1.400
  432   1HG   PRO  54          1HG       PRO  54   6.341   2.434  -1.189
  433   2HG   PRO  54          2HG       PRO  54   6.930   0.947  -0.420
  434   1HD   PRO  54          1HD       PRO  54   4.139   1.716  -1.189
  435   2HD   PRO  54          2HD       PRO  54   4.962   0.150  -1.352
  436    H    ALA  55           H        ALA  55   4.755   1.319   4.175
  437    HA   ALA  55           HA       ALA  55   2.221   2.543   4.432
  438   1HB   ALA  55          1HB       ALA  55   2.855   2.823   6.819
  439   2HB   ALA  55          2HB       ALA  55   4.477   2.265   6.413
  440   3HB   ALA  55          3HB       ALA  55   3.095   1.185   6.210
  441    H    ALA  56           H        ALA  56   5.439   3.808   4.115
  442    HA   ALA  56           HA       ALA  56   4.873   6.465   5.016
  443   1HB   ALA  56          1HB       ALA  56   7.076   7.006   4.230
  444   2HB   ALA  56          2HB       ALA  56   7.138   5.536   3.256
  445   3HB   ALA  56          3HB       ALA  56   7.139   5.429   5.018
  446    H    TYR  57           H        TYR  57   3.925   4.786   2.332
  447    HA   TYR  57           HA       TYR  57   3.895   7.172   0.587
  448   1HB   TYR  57          1HB       TYR  57   3.724   4.220   0.017
  449   2HB   TYR  57          2HB       TYR  57   3.124   5.398  -1.148
  450    HD1  TYR  57           HD1      TYR  57   4.554   5.547  -2.927
  451    HD2  TYR  57           HD2      TYR  57   6.210   5.248   0.984
  452    HE1  TYR  57           HE1      TYR  57   6.808   5.768  -3.872
  453    HE2  TYR  57           HE2      TYR  57   8.467   5.484   0.053
  454    HH   TYR  57           HH       TYR  57   9.677   5.342  -1.880
  455    H    VAL  58           H        VAL  58   2.026   5.746   2.815
  456    HA   VAL  58           HA       VAL  58  -0.434   6.541   1.451
  457    HB   VAL  58           HB       VAL  58   0.344   3.888   2.059
  458   1HG1  VAL  58          1HG1      VAL  58  -1.928   4.863   3.749
  459   2HG1  VAL  58          2HG1      VAL  58  -0.480   3.987   4.248
  460   3HG1  VAL  58          3HG1      VAL  58  -1.718   3.173   3.290
  461   1HG2  VAL  58          1HG2      VAL  58  -1.759   3.314   0.967
  462   2HG2  VAL  58          2HG2      VAL  58  -0.864   4.555   0.089
  463   3HG2  VAL  58          3HG2      VAL  58  -2.263   5.001   1.068
  464    H    LYS  59           H        LYS  59  -2.059   7.342   2.792
  465    HA   LYS  59           HA       LYS  59  -1.379   7.661   5.636
  466   1HB   LYS  59          1HB       LYS  59  -0.937   9.853   5.162
  467   2HB   LYS  59          2HB       LYS  59  -1.688   9.737   3.579
  468   1HG   LYS  59          1HG       LYS  59  -3.733   9.686   5.568
  469   2HG   LYS  59          2HG       LYS  59  -2.656  11.050   5.875
  470   1HD   LYS  59          1HD       LYS  59  -3.192  12.091   3.907
  471   2HD   LYS  59          2HD       LYS  59  -3.526  10.572   3.072
  472   1HE   LYS  59          1HE       LYS  59  -5.565  11.886   3.408
  473   2HE   LYS  59          2HE       LYS  59  -5.629  10.351   4.271
  474   1HZ   LYS  59          1HZ       LYS  59  -6.459  12.112   5.658
  475   2HZ   LYS  59          2HZ       LYS  59  -5.041  13.013   5.455
  476   3HZ   LYS  59          3HZ       LYS  59  -4.998  11.545   6.306
  477    H    LYS  60           H        LYS  60  -3.060   7.548   7.041
  478    HA   LYS  60           HA       LYS  60  -5.431   6.237   6.309
  479   1HB   LYS  60          1HB       LYS  60  -4.397   7.425   8.794
  480   2HB   LYS  60          2HB       LYS  60  -6.122   7.635   8.622
  481   1HG   LYS  60          1HG       LYS  60  -5.623   5.690   9.944
  482   2HG   LYS  60          2HG       LYS  60  -6.421   5.214   8.450
  483   1HD   LYS  60          1HD       LYS  60  -4.539   4.236   7.617
  484   2HD   LYS  60          2HD       LYS  60  -3.449   5.248   8.546
  485   1HE   LYS  60          1HE       LYS  60  -3.449   2.927   9.358
  486   2HE   LYS  60          2HE       LYS  60  -4.082   4.019  10.574
  487   1HZ   LYS  60          1HZ       LYS  60  -6.016   2.983  10.588
  488   2HZ   LYS  60          2HZ       LYS  60  -5.301   1.763   9.656
  489   3HZ   LYS  60          3HZ       LYS  60  -6.156   3.017   8.893
  490    H    LEU  61           H        LEU  61  -7.343   6.912   5.584
  491    HA   LEU  61           HA       LEU  61  -7.633   9.717   4.914
  492   1HB   LEU  61          1HB       LEU  61  -9.139   7.224   4.253
  493   2HB   LEU  61          2HB       LEU  61  -9.917   8.778   4.028
  494    HG   LEU  61           HG       LEU  61  -7.262   8.118   2.778
  495   1HD1  LEU  61          1HD1      LEU  61  -8.953   6.480   2.075
  496   2HD1  LEU  61          2HD1      LEU  61  -8.450   7.540   0.757
  497   3HD1  LEU  61          3HD1      LEU  61  -9.997   7.805   1.563
  498   1HD2  LEU  61          1HD2      LEU  61  -8.303   9.866   1.134
  499   2HD2  LEU  61          2HD2      LEU  61  -7.518  10.402   2.618
  500   3HD2  LEU  61          3HD2      LEU  61  -9.278  10.304   2.536
  501    H    ASP  62           H        ASP  62  -8.711   7.541   7.321
  502    HA   ASP  62           HA       ASP  62 -10.244   9.691   8.577
  503   1HB   ASP  62          1HB       ASP  62 -11.829   8.199   7.319
  504   2HB   ASP  62          2HB       ASP  62 -11.310   6.869   8.350
  505   1H    ACE   0          1H        ACE   0   3.782 -11.459   1.619
  506   2H    ACE   0          2H        ACE   0   3.421 -11.760   3.318
  507   3H    ACE   0          3H        ACE   0   5.030 -12.138   2.706
  508    H    ALA   1           H        ALA   1   4.462 -10.462   4.916
  509    HA   ALA   1           HA       ALA   1   4.733  -7.726   4.055
  510   1HB   ALA   1          1HB       ALA   1   5.074  -8.932   6.800
  511   2HB   ALA   1          2HB       ALA   1   3.571  -8.291   6.137
  512   3HB   ALA   1          3HB       ALA   1   4.936  -7.212   6.426
  513    HA   PRO   2           HA       PRO   2   9.139  -8.138   3.349
  514   1HB   PRO   2          1HB       PRO   2   8.936  -5.189   3.145
  515   2HB   PRO   2          2HB       PRO   2   9.576  -6.358   1.985
  516   1HG   PRO   2          1HG       PRO   2   7.233  -5.162   1.561
  517   2HG   PRO   2          2HG       PRO   2   7.479  -6.869   1.141
  518   1HD   PRO   2          1HD       PRO   2   6.084  -5.687   3.514
  519   2HD   PRO   2          2HD       PRO   2   5.613  -7.071   2.505
  520    H    SER   3           H        SER   3  10.871  -7.972   4.653
  521    HA   SER   3           HA       SER   3  10.501  -6.549   7.195
  522   1HB   SER   3          1HB       SER   3  12.581  -8.651   6.605
  523   2HB   SER   3          2HB       SER   3  11.965  -8.136   8.175
  524    HG   SER   3           HG       SER   3  10.537  -9.655   7.984
  525    H    TYR   4           H        TYR   4  11.279  -5.109   4.858
  526    HA   TYR   4           HA       TYR   4  13.837  -4.079   5.788
  527   1HB   TYR   4          1HB       TYR   4  14.547  -3.825   3.335
  528   2HB   TYR   4          2HB       TYR   4  14.673  -5.429   4.044
  529    HD1  TYR   4           HD1      TYR   4  12.599  -3.321   1.801
  530    HD2  TYR   4           HD2      TYR   4  13.509  -7.262   3.117
  531    HE1  TYR   4           HE1      TYR   4  11.258  -4.242  -0.043
  532    HE2  TYR   4           HE2      TYR   4  12.165  -8.190   1.278
  533    HH   TYR   4           HH       TYR   4  10.272  -7.467  -0.163
  534    H    SER   5           H        SER   5  14.160  -1.878   5.283
  535    HA   SER   5           HA       SER   5  11.840  -0.303   5.284
  536   1HB   SER   5          1HB       SER   5  14.533   0.719   4.415
  537   2HB   SER   5          2HB       SER   5  13.284   1.549   5.346
  538    HG   SER   5           HG       SER   5  13.703  -0.015   7.039
  539    HA   PRO   6           HA       PRO   6  10.927  -0.046   0.936
  540   1HB   PRO   6          1HB       PRO   6   9.134   1.971   1.026
  541   2HB   PRO   6          2HB       PRO   6   8.763   0.355   1.633
  542   1HG   PRO   6          1HG       PRO   6   9.546   2.813   3.145
  543   2HG   PRO   6          2HG       PRO   6   8.316   1.596   3.537
  544   1HD   PRO   6          1HD       PRO   6  10.806   1.647   4.664
  545   2HD   PRO   6          2HD       PRO   6   9.845   0.169   4.465
  546    HA   PRO   7           HA       PRO   7  13.499   3.076  -0.840
  547   1HB   PRO   7          1HB       PRO   7  12.051   3.774  -3.068
  548   2HB   PRO   7          2HB       PRO   7  13.041   2.318  -2.943
  549   1HG   PRO   7          1HG       PRO   7  10.088   2.638  -2.587
  550   2HG   PRO   7          2HG       PRO   7  10.985   1.357  -3.428
  551   1HD   PRO   7          1HD       PRO   7   9.990   0.984  -0.966
  552   2HD   PRO   7          2HD       PRO   7  11.548   0.282  -1.453
  553    HA   PRO   8           HA       PRO   8  12.144   7.017   0.667
  554   1HB   PRO   8          1HB       PRO   8  13.715   8.605  -0.962
  555   2HB   PRO   8          2HB       PRO   8  14.260   7.847   0.536
  556   1HG   PRO   8          1HG       PRO   8  14.636   6.950  -2.290
  557   2HG   PRO   8          2HG       PRO   8  15.779   6.895  -0.935
  558   1HD   PRO   8          1HD       PRO   8  14.472   4.703  -1.748
  559   2HD   PRO   8          2HD       PRO   8  14.806   4.998  -0.028
  560    HA   PRO   9           HA       PRO   9   8.895   8.228  -2.092
  561   1HB   PRO   9          1HB       PRO   9   8.986  10.807  -0.642
  562   2HB   PRO   9          2HB       PRO   9   7.652   9.665  -0.826
  563   1HG   PRO   9          1HG       PRO   9   8.929   9.904   1.500
  564   2HG   PRO   9          2HG       PRO   9   8.387   8.319   0.910
  565   1HD   PRO   9          1HD       PRO   9  11.135   9.521   0.856
  566   2HD   PRO   9          2HD       PRO   9  10.639   7.860   1.251
  567    HA   PRO  10           HA       PRO  10  11.117  10.715  -5.077
  568   1HB   PRO  10          1HB       PRO  10   8.880  10.355  -6.864
  569   2HB   PRO  10          2HB       PRO  10  10.473   9.604  -6.936
  570   1HG   PRO  10          1HG       PRO  10   8.161   8.245  -6.382
  571   2HG   PRO  10          2HG       PRO  10   9.772   7.720  -5.859
  572   1HD   PRO  10          1HD       PRO  10   7.637   9.135  -4.310
  573   2HD   PRO  10          2HD       PRO  10   8.744   7.846  -3.790