*HEADER    TOXIN                                   28-DEC-20   7L7A              
*TITLE     SOLUTION STRUCTURE OF NUXVA                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NUXVA;                                                     
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CONUS NUX;                                      
*SOURCE   3 ORGANISM_TAXID: 101310                                               
*KEYWDS    CONOTOXIN, MALARIA, BIOPLEX ASSAY, PROTEOGENOMICS, ERYTHROCYTE        
*KEYWDS   2 MEMBRANE PROTEIN 1, TOXIN                                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    32                                                                    
*AUTHOR    F.MARI,S.DOVELL                                                       
*REVDAT   1   13-JAN-21 7L7A    0                                                
# Restraints file 1: restraints.tbl
!Distance restraints
assign (resid    2 and name HA    )(resid    2 and name HN  ) 3.0 1.2 0.5
assign (resid    2 and name HB1   )(resid    2 and name HN  ) 3.0 1.2 0.5
assign (resid    2 and name HB2   )(resid    2 and name HN  ) 3.0 1.2 0.5
assign (resid    1 and name HA#   )(resid    2 and name HN  ) 3.0 2.2 1.5
assign (resid    3 and name HA    )(resid    3 and name HN  ) 4.0 2.2 1.0
assign (resid    3 and name HB1   )(resid    3 and name HN  ) 3.0 2.2 1.5
assign (resid    3 and name HB2   )(resid    3 and name HN  ) 4.0 2.2 1.0
assign (resid    2 and name HB#   )(resid    3 and name HN  ) 4.0 2.8 1.6
assign (resid    2 and name HA    )(resid    3 and name HN  ) 3.0 1.2 0.5
assign (resid    7 and name HA    )(resid    3 and name HN  ) 4.0 2.2 1.0
assign (resid    5 and name HA    )(resid    5 and name HN  ) 3.0 1.2 0.5 
assign (resid    4 and name HB1   )(resid    5 and name HN  ) 4.0 3.2 2.0 
assign (resid    4 and name HB2   )(resid    5 and name HN  ) 4.0 3.2 2.0 
assign (resid    7 and name HA    )(resid    7 and name HN  ) 3.0 1.2 0.5 
assign (resid    7 and name HB1   )(resid    7 and name HN  ) 3.0 1.2 0.5 
assign (resid    7 and name HB2   )(resid    7 and name HN  ) 3.0 1.2 0.5 
assign (resid    7 and name HG    )(resid    7 and name HN  ) 4.0 2.2 1.0 
assign (resid    7 and name HD2#  )(resid    7 and name HN  ) 4.0 3.2 2.0
assign (resid    6 and name HA    )(resid    7 and name HN  ) 4.0 2.2 1.0 
assign (resid    8 and name HA    )(resid    8 and name HN  ) 3.0 1.2 0.5 
assign (resid    8 and name HG2#  )(resid    8 and name HN  ) 3.0 2.2 1.5 
assign (resid    7 and name HA    )(resid    8 and name HN  ) 3.0 1.2 0.5 
assign (resid    7 and name HB#   )(resid    8 and name HN  ) 4.0 3.2 2.0 
assign (resid    7 and name HG    )(resid    8 and name HN  ) 3.0 1.2 0.5 
assign (resid    7 and name HD2#  )(resid    8 and name HN  ) 4.0 3.2 2.0
assign (resid   11 and name HB#   )(resid    8 and name HN  ) 4.0 3.2 2.0
assign (resid    9 and name HA    )(resid    9 and name HN  ) 3.0 1.2 0.5 
assign (resid    9 and name HB1   )(resid    9 and name HN  ) 3.0 1.2 0.5 
assign (resid    9 and name HB2   )(resid    9 and name HN  ) 3.0 1.2 0.5 
assign (resid    8 and name HA    )(resid    9 and name HN  ) 3.0 1.2 0.5 
assign (resid    8 and name HG2#  )(resid    9 and name HN  ) 4.0 3.2 2.0
assign (resid   10 and name HA    )(resid   10 and name HN  ) 4.0 2.2 1.0 
assign (resid   10 and name HB1   )(resid   10 and name HN  ) 3.0 1.2 0.5 
assign (resid   10 and name HB2   )(resid   10 and name HN  ) 3.0 1.2 0.5 
assign (resid    9 and name HB#   )(resid   10 and name HN  ) 3.0 2.2 1.5 
assign (resid    8 and name HG2#  )(resid   10 and name HN  ) 4.0 3.2 2.0
assign (resid   11 and name HA    )(resid   11 and name HN  ) 3.0 1.2 0.5 
assign (resid   11 and name HB1   )(resid   11 and name HN  ) 3.0 1.2 0.5 
assign (resid   11 and name HB2   )(resid   11 and name HN  ) 3.0 1.2 0.5 
assign (resid   10 and name HA    )(resid   11 and name HN  ) 3.0 1.2 0.5 
assign (resid    3 and name HB#   )(resid   11 and name HN  ) 4.0 3.2 2.0 
assign (resid    8 and name HG2#  )(resid   11 and name HN  ) 4.0 3.2 2.0
assign (resid   12 and name HA    )(resid   12 and name HN  ) 4.0 2.2 1.0 
assign (resid   12 and name HB    )(resid   12 and name HN  ) 3.0 1.2 0.5 
assign (resid   12 and name HG1#  )(resid   12 and name HN  ) 4.0 3.2 2.0 
assign (resid   11 and name HA    )(resid   12 and name HN  ) 3.0 1.2 0.5 
assign (resid   11 and name HB#   )(resid   12 and name HN  ) 3.0 2.2 1.5 
assign (resid   13 and name HB    )(resid   13 and name HN  ) 4.0 2.2 1.0 
assign (resid   12 and name HA    )(resid   13 and name HN  ) 3.0 1.2 0.5 
assign (resid   13 and name HA    )(resid   13 and name HN  ) 3.0 1.2 0.5
assign (resid   13 and name HG11  )(resid   13 and name HN  ) 4.0 2.2 1.0
assign (resid   13 and name HG12  )(resid   13 and name HN  ) 4.0 2.2 1.0
assign (resid   12 and name HG2#  )(resid   13 and name HN  ) 4.0 3.2 2.0
assign (resid   14 and name HA    )(resid   14 and name HN  ) 4.0 2.2 1.0 
assign (resid   14 and name HB#   )(resid   14 and name HN  ) 4.0 2.8 1.6 
assign (resid   13 and name HA    )(resid   14 and name HN  ) 3.0 1.2 0.5 
assign (resid   14 and name HB1   )(resid   14 and name HD# ) 4.0 4.2 3.0
assign (resid   14 and name HB2   )(resid   14 and name HD# ) 4.0 4.2 3.0 
assign (resid   14 and name HE#   )(resid   14 and name HD# ) 2.5 4.1 3.6
assign (resid   13 and name HD1#  )(resid   14 and name HN  ) 4.0 3.2 2.0
assign (resid    3 and name HN    )(resid   11 and name HN  ) 4.0 2.2 1.0 
assign (resid   10 and name HN    )(resid   11 and name HN  ) 4.0 2.2 1.0 
assign (resid    9 and name HN    )(resid   10 and name HN  ) 3.0 1.2 0.5 
assign (resid   12 and name HN    )(resid   11 and name HN  ) 3.0 1.2 0.5 
assign (resid    7 and name HN    )(resid    8 and name HN  ) 4.0 2.2 1.0 
assign (resid    8 and name HN    )(resid    9 and name HN  ) 4.0 2.2 1.0 
assign (resid    2 and name HB1   )(resid    2 and name HA  ) 3.0 1.2 0.5 
assign (resid    2 and name HB2   )(resid    2 and name HA  ) 3.0 1.2 0.5 
assign (resid   10 and name HB1   )(resid   10 and name HA  ) 3.0 1.2 0.5 
assign (resid   10 and name HB2   )(resid   10 and name HA  ) 3.0 1.2 0.5 
assign (resid    5 and name HA    )(resid    6 and name HA  ) 3.0 1.2 0.5 
assign (resid    3 and name HA    )(resid    3 and name HB1 ) 3.0 1.2 0.5 
assign (resid    3 and name HA    )(resid    3 and name HB2 ) 3.0 1.2 0.5 
assign (resid    3 and name HA    )(resid    4 and name HD# ) 3.0 2.2 1.5 
assign (resid   11 and name HA    )(resid   11 and name HB1 ) 3.0 1.2 0.5 
assign (resid   11 and name HA    )(resid   11 and name HB2 ) 3.0 1.2 0.5 
assign (resid    6 and name HA    )(resid    6 and name HD# ) 3.0 1.8 1.1 
assign (resid    3 and name HB1   )(resid    3 and name HB2 ) 2.5 0.7 0.2 
assign (resid    9 and name HA    )(resid    9 and name HB1 ) 3.0 1.2 0.5 
assign (resid    9 and name HA    )(resid    9 and name HB2 ) 3.0 1.2 0.5 
assign (resid    9 and name HA    )(resid    2 and name HB# ) 3.0 2.2 1.5 
assign (resid    4 and name HD1   )(resid    4 and name HD2 ) 2.5 0.7 0.2 
assign (resid   11 and name HB1   )(resid   11 and name HB2 ) 2.5 0.7 0.2 
assign (resid   10 and name HB1   )(resid   10 and name HB2 ) 2.5 0.7 0.2 
assign (resid    9 and name HB1   )(resid    9 and name HB2 ) 2.5 0.7 0.2 
assign (resid   14 and name HB1   )(resid   14 and name HB2 ) 2.5 0.7 0.2 
assign (resid    2 and name HB1   )(resid    2 and name HB2 ) 2.5 0.7 0.2 
assign (resid    6 and name HA    )(resid    6 and name HB1 ) 3.0 1.2 0.5 
assign (resid    6 and name HA    )(resid    6 and name HB2 ) 3.0 1.2 0.5 
assign (resid    6 and name HA    )(resid    5 and name HB# ) 3.0 2.2 1.5 
assign (resid    5 and name HA    )(resid    5 and name HB# ) 3.0 1.8 1.1 
assign (resid    7 and name HA    )(resid    7 and name HG  ) 3.0 1.2 0.5 
assign (resid   11 and name HB1   )(resid    7 and name HG  ) 4.0 2.2 1.0 
assign (resid   11 and name HB2   )(resid    7 and name HG  ) 4.0 2.2 1.0
assign (resid    8 and name HG2#  )(resid   11 and name HB# ) 4.0 3.2 2.0 
assign (resid    4 and name HA    )(resid    4 and name HB# ) 3.0 2.2 1.5 
assign (resid    9 and name HA    )(resid   12 and name HB  ) 3.0 1.2 0.5 
assign (resid    3 and name HB1   )(resid    4 and name HB# ) 4.0 3.2 2.0 
assign (resid    3 and name HB2   )(resid    4 and name HB# ) 4.0 3.2 2.0 
assign (resid    4 and name HG1   )(resid    4 and name HD# ) 3.0 1.8 1.1 
assign (resid    4 and name HG2   )(resid    4 and name HD# ) 3.0 1.8 1.1 
assign (resid    6 and name HB#   )(resid    6 and name HD# ) 3.0 1.8 1.1 
assign (resid    6 and name HG1   )(resid    6 and name HD1 ) 3.0 1.2 0.5 
assign (resid    6 and name HG2   )(resid    6 and name HD2 ) 3.0 1.2 0.5 
assign (resid    6 and name HB1   )(resid    6 and name HB2 ) 2.5 0.7 0.2 
assign (resid    6 and name HB#   )(resid    6 and name HG# ) 3.0 1.8 1.1 
assign (resid    4 and name HB#   )(resid    4 and name HG2 ) 2.5 0.7 0.2 
assign (resid    4 and name HB#   )(resid    4 and name HG1 ) 3.0 1.8 1.1 
assign (resid    4 and name HB1   )(resid    4 and name HB2 ) 3.0 1.2 0.5 
assign (resid    6 and name HG1   )(resid    6 and name HG2 ) 3.0 1.2 0.5 
assign (resid    7 and name HG    )(resid    7 and name HB1 ) 2.5 0.7 0.2 
assign (resid    7 and name HG    )(resid    7 and name HB2 ) 3.0 1.2 0.5 
assign (resid    8 and name HG2#  )(resid   11 and name HA  ) 3.0 2.2 1.5 
assign (resid    8 and name HG2#  )(resid    8 and name HA  ) 3.0 1.8 1.1 
assign (resid    6 and name HA    )(resid    7 and name HB# ) 4.0 2.2 1.0 
assign (resid    7 and name HA    )(resid    7 and name HD# ) 3.0 1.8 1.1 
assign (resid   12 and name HG1#  )(resid   12 and name HA  ) 4.0 2.8 1.6 
assign (resid   13 and name HD1#  )(resid   13 and name HA  ) 4.0 2.8 1.6 
assign (resid   12 and name HG2#  )(resid   12 and name HA  ) 4.0 2.8 1.6 
assign (resid    7 and name HD1#  )(resid    6 and name HD# ) 4.0 3.2 2.0 
assign (resid    7 and name HD1#  )(resid    3 and name HB# ) 4.0 3.2 2.0 
assign (resid    7 and name HD1#  )(resid    7 and name HB1 ) 3.0 1.8 1.1 
assign (resid    7 and name HD1#  )(resid    7 and name HB2 ) 3.0 1.8 1.1 
assign (resid   13 and name HG1#  )(resid   13 and name HB  ) 3.0 1.8 1.1 
assign (resid   13 and name HG1#  )(resid   13 and name HG2#) 3.0 1.8 1.1 
assign (resid   12 and name HG2#  )(resid   12 and name HB  ) 3.0 1.8 1.1 
assign (resid   12 and name HG1#  )(resid   12 and name HB  ) 3.0 1.8 1.1 
assign (resid   13 and name HD1#  )(resid   13 and name HB  ) 3.0 1.8 1.1    
assign (resid    7 and name HD2#  )(resid    7 and name HG  ) 4.0 2.8 1.6 
assign (resid   13 and name HG1#  )(resid   13 and name HD1#) 2.5 1.3 0.8 
assign (resid   13 and name HG2#  )(resid   13 and name HD1#) 3.0 1.8 1.1 
assign (resid    9 and name HA    )(resid    2 and name HA  ) 4.0 2.2 1.0
assign (resid    4 and name HD#   )(resid    3 and name HB# ) 4.0 3.2 2.0
assign (resid    4 and name HA    )(resid    4 and name HG1 ) 4.0 2.2 1.0
assign (resid    4 and name HA    )(resid    4 and name HG2 ) 4.0 2.2 1.0 
assign (resid    7 and name HA    )(resid    7 and name HB# ) 4.0 2.8 1.6
assign (resid   12 and name HA    )(resid   13 and name HB  ) 4.0 2.2 1.0
assign (resid    3 and name HB#   )(resid    7 and name HG  ) 4.0 3.2 2.0
assign (resid   11 and name HB1   )(resid    8 and name HG2#) 4.0 3.2 2.0   
assign (resid   11 and name HB2   )(resid    8 and name HG2#) 4.0 3.2 2.0
assign (resid    9 and name HA    )(resid    8 and name HG2#) 4.0 3.2 2.0  
assign (resid   14 and name HA    )(resid   12 and name HG1#) 4.0 3.2 2.0
assign (resid    6 and name HB#   )(resid    7 and name HD1#) 4.0 3.2 2.0   
!Dihedral restraints
 assign (resid    12 and name c )   (resid    13 and name n ) 
        (resid    13 and name ca)   (resid    13 and name c )  1.0 -120.0 40.0 2
end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1  10.736  -9.838   2.318
    2    H2   GLY   1           HT2      GLY   1  11.354  -8.637   3.347
    3    H3   GLY   1           HT3      GLY   1  12.333  -9.303   2.130
    4    HA2  GLY   1           HA2      GLY   1  11.519  -7.981   0.544
    5    HA3  GLY   1           HA1      GLY   1   9.875  -8.154   1.156
    6    H    CYS   2           HN       CYS   2  11.349  -5.693   0.361
    7    HA   CYS   2           HA       CYS   2  11.968  -4.205   2.791
    8    HB2  CYS   2           HB3      CYS   2  11.277  -3.122   0.045
    9    HB3  CYS   2           HB2      CYS   2  12.382  -2.431   1.236
   10    H    CYS   3           HN       CYS   3  10.369  -1.789   1.751
   11    HA   CYS   3           HA       CYS   3   7.867  -2.512   3.177
   12    HB2  CYS   3           HB3      CYS   3   8.251   0.231   2.080
   13    HB3  CYS   3           HB2      CYS   3   7.693  -0.270   3.666
   14    HA   PRO   4           HA       PRO   4   5.492  -2.889  -0.490
   15    HB2  PRO   4           HB3      PRO   4   3.045  -2.052   0.406
   16    HB3  PRO   4           HB2      PRO   4   3.759  -3.612   0.869
   17    HG2  PRO   4           HG2      PRO   4   3.636  -1.059   2.391
   18    HG3  PRO   4           HG3      PRO   4   3.465  -2.725   2.966
   19    HD2  PRO   4           HD2      PRO   4   5.747  -1.246   3.246
   20    HD3  PRO   4           HD3      PRO   4   5.725  -3.023   3.165
   21    H    ALA   5           HN       ALA   5   5.840   0.144   1.122
   22    HA   ALA   5           HA       ALA   5   4.410   2.058  -0.152
   23    HB1  ALA   5           HB1      ALA   5   6.911   3.128  -0.335
   24    HB2  ALA   5           HB2      ALA   5   7.194   1.784   0.773
   25    HB3  ALA   5           HB3      ALA   5   5.994   3.013   1.166
   26    HA   PRO   6           HA       PRO   6   7.280  -0.028  -0.556
   27    HB2  PRO   6           HB3      PRO   6   9.486  -0.632  -2.002
   28    HB3  PRO   6           HB2      PRO   6   7.965  -1.534  -2.149
   29    HG2  PRO   6           HG2      PRO   6   9.205   0.363  -4.010
   30    HG3  PRO   6           HG3      PRO   6   8.011  -0.906  -4.318
   31    HD2  PRO   6           HD2      PRO   6   7.556   1.898  -4.056
   32    HD3  PRO   6           HD3      PRO   6   6.354   0.618  -4.304
   33    H    LEU   7           HN       LEU   7   9.254   0.316   0.640
   34    HA   LEU   7           HA       LEU   7  10.599   2.936   0.063
   35    HB2  LEU   7           HB3      LEU   7   8.964   2.050   2.258
   36    HB3  LEU   7           HB2      LEU   7  10.601   2.343   2.847
   37    HG   LEU   7           HG       LEU   7  10.588   4.586   1.880
   38   HD11  LEU   7          1HD1      LEU   7   8.586   3.485   0.252
   39   HD12  LEU   7          2HD1      LEU   7   9.175   5.141   0.215
   40   HD13  LEU   7          3HD1      LEU   7   7.772   4.723   1.201
   41   HD21  LEU   7          1HD2      LEU   7   9.392   5.480   3.608
   42   HD22  LEU   7          2HD2      LEU   7   9.174   3.797   4.087
   43   HD23  LEU   7          3HD2      LEU   7   7.919   4.620   3.160
   44    H    THR   8           HN       THR   8  12.723   2.986   1.513
   45    HA   THR   8           HA       THR   8  14.579   1.118   0.623
   46    HB   THR   8           HB       THR   8  14.968   3.258   1.900
   47    HG1  THR   8           HG1      THR   8  16.274   1.158   3.233
   48   HG21  THR   8          1HG2      THR   8  13.384   2.984   3.703
   49   HG22  THR   8          2HG2      THR   8  15.000   3.029   4.410
   50   HG23  THR   8          3HG2      THR   8  14.163   1.490   4.220
   51    H    CYS   9           HN       CYS   9  15.411  -0.867   1.523
   52    HA   CYS   9           HA       CYS   9  13.419  -2.564   2.770
   53    HB2  CYS   9           HB3      CYS   9  16.387  -3.004   2.337
   54    HB3  CYS   9           HB2      CYS   9  15.138  -4.247   2.486
   55    H    HIS  10           HN       HIS  10  15.268  -0.190   4.114
   56    HA   HIS  10           HA       HIS  10  15.978  -1.609   6.611
   57    HB2  HIS  10           HB3      HIS  10  17.078   0.459   5.234
   58    HB3  HIS  10           HB2      HIS  10  16.046   1.361   6.350
   59    HD1  HIS  10           HD1      HIS  10  16.282  -0.505   8.819
   60    HD2  HIS  10           HD2      HIS  10  19.531   0.763   6.534
   61    HE1  HIS  10           HE1      HIS  10  18.324  -0.697  10.306
   62    H    CYS  11           HN       CYS  11  13.382   0.117   5.183
   63    HA   CYS  11           HA       CYS  11  12.121   0.900   7.738
   64    HB2  CYS  11           HB3      CYS  11  11.352   2.497   6.317
   65    HB3  CYS  11           HB2      CYS  11  12.095   1.663   4.956
   66    H    VAL  12           HN       VAL  12  11.706  -1.324   5.039
   67    HA   VAL  12           HA       VAL  12  10.010  -2.969   4.684
   68    HB   VAL  12           HB       VAL  12  12.221  -3.708   5.900
   69   HG11  VAL  12          1HG1      VAL  12  11.992  -4.629   8.064
   70   HG12  VAL  12          2HG1      VAL  12  10.230  -4.605   7.984
   71   HG13  VAL  12          3HG1      VAL  12  11.125  -3.096   8.175
   72   HG21  VAL  12          1HG2      VAL  12  11.620  -5.751   5.148
   73   HG22  VAL  12          2HG2      VAL  12  10.068  -5.020   4.740
   74   HG23  VAL  12          3HG2      VAL  12  10.271  -5.855   6.280
   75    H    ILE  13           HN       ILE  13   7.912  -2.156   4.985
   76    HA   ILE  13           HA       ILE  13   6.900  -1.811   7.745
   77    HB   ILE  13           HB       ILE  13   5.564  -1.577   5.030
   78   HG12  ILE  13          HG13      ILE  13   7.582  -0.086   5.488
   79   HG13  ILE  13          HG12      ILE  13   6.080   0.767   5.134
   80   HG21  ILE  13          1HG2      ILE  13   3.681  -1.318   6.238
   81   HG22  ILE  13          2HG2      ILE  13   4.390   0.148   6.913
   82   HG23  ILE  13          3HG2      ILE  13   4.583  -1.391   7.751
   83   HD11  ILE  13          1HD1      ILE  13   7.711   0.980   7.461
   84   HD12  ILE  13          2HD1      ILE  13   6.183   0.247   7.949
   85   HD13  ILE  13          3HD1      ILE  13   6.190   1.807   7.125
   86    H    TYR  14           HN       TYR  14   7.691  -4.420   7.367
   87    HA   TYR  14           HA       TYR  14   5.267  -5.896   7.909
   88    HB2  TYR  14           HB2      TYR  14   5.786  -5.459   5.245
   89    HB3  TYR  14           HB3      TYR  14   6.556  -7.027   5.511
   90    HD1  TYR  14           HD1      TYR  14   3.366  -5.156   5.682
   91    HD2  TYR  14           HD2      TYR  14   5.258  -8.997   6.031
   92    HE1  TYR  14           HE1      TYR  14   1.141  -6.255   5.654
   93    HE2  TYR  14           HE2      TYR  14   3.034 -10.095   6.002
   94    HH   TYR  14           HH       TYR  14   0.465  -9.013   4.893
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1  13.691  -1.075  -1.178
    2    H2   GLY   1           HT2      GLY   1  13.653  -0.085  -2.558
    3    H3   GLY   1           HT3      GLY   1  13.645  -1.775  -2.722
    4    HA2  GLY   1           HA2      GLY   1  11.484  -0.118  -1.538
    5    HA3  GLY   1           HA1      GLY   1  11.439  -0.926  -3.106
    6    H    CYS   2           HN       CYS   2  12.235  -1.808   0.280
    7    HA   CYS   2           HA       CYS   2  11.150  -4.513  -0.174
    8    HB2  CYS   2           HB3      CYS   2  12.292  -3.231   2.317
    9    HB3  CYS   2           HB2      CYS   2  12.186  -4.955   1.960
   10    H    CYS   3           HN       CYS   3  10.345  -1.566   1.622
   11    HA   CYS   3           HA       CYS   3   8.205  -2.659   3.211
   12    HB2  CYS   3           HB3      CYS   3   8.234   0.147   2.074
   13    HB3  CYS   3           HB2      CYS   3   7.682  -0.383   3.659
   14    HA   PRO   4           HA       PRO   4   4.990  -2.982   0.201
   15    HB2  PRO   4           HB3      PRO   4   2.796  -1.957   1.476
   16    HB3  PRO   4           HB2      PRO   4   3.512  -3.526   1.901
   17    HG2  PRO   4           HG2      PRO   4   3.750  -0.903   3.271
   18    HG3  PRO   4           HG3      PRO   4   3.683  -2.535   3.954
   19    HD2  PRO   4           HD2      PRO   4   5.986  -1.058   3.662
   20    HD3  PRO   4           HD3      PRO   4   5.934  -2.831   3.785
   21    H    ALA   5           HN       ALA   5   6.178  -0.030   1.218
   22    HA   ALA   5           HA       ALA   5   4.475   1.926   0.098
   23    HB1  ALA   5           HB1      ALA   5   6.144   2.818   1.387
   24    HB2  ALA   5           HB2      ALA   5   6.927   2.997  -0.182
   25    HB3  ALA   5           HB3      ALA   5   7.330   1.627   0.854
   26    HA   PRO   6           HA       PRO   6   7.317  -0.197  -0.275
   27    HB2  PRO   6           HB3      PRO   6   9.380  -1.046  -1.819
   28    HB3  PRO   6           HB2      PRO   6   7.806  -1.863  -1.807
   29    HG2  PRO   6           HG2      PRO   6   9.027  -0.211  -3.883
   30    HG3  PRO   6           HG3      PRO   6   7.709  -1.385  -4.002
   31    HD2  PRO   6           HD2      PRO   6   7.535   1.480  -3.881
   32    HD3  PRO   6           HD3      PRO   6   6.218   0.300  -4.046
   33    H    LEU   7           HN       LEU   7   9.467   0.112   0.719
   34    HA   LEU   7           HA       LEU   7  10.879   2.585  -0.239
   35    HB2  LEU   7           HB3      LEU   7   9.332   2.125   2.134
   36    HB3  LEU   7           HB2      LEU   7  11.019   2.370   2.593
   37    HG   LEU   7           HG       LEU   7  11.118   4.469   1.415
   38   HD11  LEU   7          1HD1      LEU   7   8.688   3.371   0.146
   39   HD12  LEU   7          2HD1      LEU   7   9.910   4.449  -0.521
   40   HD13  LEU   7          3HD1      LEU   7   8.620   5.098   0.492
   41   HD21  LEU   7          1HD2      LEU   7  10.242   5.064   3.454
   42   HD22  LEU   7          2HD2      LEU   7   8.874   3.961   3.305
   43   HD23  LEU   7          3HD2      LEU   7   8.855   5.509   2.459
   44    H    THR   8           HN       THR   8  12.943   2.642   1.559
   45    HA   THR   8           HA       THR   8  14.796   0.728   0.640
   46    HB   THR   8           HB       THR   8  15.364   2.841   1.748
   47    HG1  THR   8           HG1      THR   8  17.040   1.551   2.010
   48   HG21  THR   8          1HG2      THR   8  13.419   2.670   3.377
   49   HG22  THR   8          2HG2      THR   8  14.937   3.243   4.069
   50   HG23  THR   8          3HG2      THR   8  14.423   1.577   4.328
   51    H    CYS   9           HN       CYS   9  15.898  -0.971   2.090
   52    HA   CYS   9           HA       CYS   9  13.879  -2.833   3.072
   53    HB2  CYS   9           HB3      CYS   9  16.638  -2.817   2.230
   54    HB3  CYS   9           HB2      CYS   9  16.485  -3.689   3.761
   55    H    HIS  10           HN       HIS  10  15.410  -0.205   4.485
   56    HA   HIS  10           HA       HIS  10  15.608  -1.388   7.192
   57    HB2  HIS  10           HB3      HIS  10  17.152   0.372   6.036
   58    HB3  HIS  10           HB2      HIS  10  15.872   1.523   6.431
   59    HD1  HIS  10           HD1      HIS  10  16.220   2.628   8.630
   60    HD2  HIS  10           HD2      HIS  10  17.819  -1.221   8.596
   61    HE1  HIS  10           HE1      HIS  10  17.256   2.262  10.912
   62    H    CYS  11           HN       CYS  11  13.370   0.307   5.192
   63    HA   CYS  11           HA       CYS  11  11.742   1.289   7.461
   64    HB2  CYS  11           HB3      CYS  11  11.389   2.860   5.863
   65    HB3  CYS  11           HB2      CYS  11  12.189   1.864   4.652
   66    H    VAL  12           HN       VAL  12  12.045  -1.473   5.464
   67    HA   VAL  12           HA       VAL  12   9.914  -2.729   4.713
   68    HB   VAL  12           HB       VAL  12  12.160  -3.655   5.705
   69   HG11  VAL  12          1HG1      VAL  12  11.249  -3.182   8.093
   70   HG12  VAL  12          2HG1      VAL  12  12.058  -4.721   7.803
   71   HG13  VAL  12          3HG1      VAL  12  10.297  -4.648   7.856
   72   HG21  VAL  12          1HG2      VAL  12   9.546  -5.159   5.497
   73   HG22  VAL  12          2HG2      VAL  12  11.088  -5.978   5.744
   74   HG23  VAL  12          3HG2      VAL  12  10.820  -5.024   4.285
   75    H    ILE  13           HN       ILE  13   7.846  -2.009   5.179
   76    HA   ILE  13           HA       ILE  13   6.988  -1.794   8.010
   77    HB   ILE  13           HB       ILE  13   5.382  -1.474   5.463
   78   HG12  ILE  13          HG13      ILE  13   7.539  -0.109   5.540
   79   HG13  ILE  13          HG12      ILE  13   6.052   0.829   5.395
   80   HG21  ILE  13          1HG2      ILE  13   3.852  -1.389   7.201
   81   HG22  ILE  13          2HG2      ILE  13   4.336   0.305   7.122
   82   HG23  ILE  13          3HG2      ILE  13   5.033  -0.755   8.348
   83   HD11  ILE  13          1HD1      ILE  13   8.002   1.232   7.310
   84   HD12  ILE  13          2HD1      ILE  13   6.801   0.275   8.179
   85   HD13  ILE  13          3HD1      ILE  13   6.335   1.799   7.422
   86    H    TYR  14           HN       TYR  14   7.665  -4.427   6.573
   87    HA   TYR  14           HA       TYR  14   5.392  -5.940   7.655
   88    HB2  TYR  14           HB2      TYR  14   5.593  -5.175   4.893
   89    HB3  TYR  14           HB3      TYR  14   5.782  -6.929   5.010
   90    HD1  TYR  14           HD1      TYR  14   3.970  -8.346   5.727
   91    HD2  TYR  14           HD2      TYR  14   3.553  -4.072   5.781
   92    HE1  TYR  14           HE1      TYR  14   1.531  -8.591   6.101
   93    HE2  TYR  14           HE2      TYR  14   1.113  -4.314   6.154
   94    HH   TYR  14           HH       TYR  14  -0.319  -7.197   7.108
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  12.509   0.226  -1.340
    2    H2   GLY   1           HT2      GLY   1  11.072  -0.367  -0.654
    3    H3   GLY   1           HT3      GLY   1  11.014   0.601  -2.049
    4    HA2  GLY   1           HA2      GLY   1  10.978  -1.257  -3.236
    5    HA3  GLY   1           HA1      GLY   1  12.663  -1.463  -2.753
    6    H    CYS   2           HN       CYS   2  12.128  -1.844   0.064
    7    HA   CYS   2           HA       CYS   2  11.292  -4.670  -0.038
    8    HB2  CYS   2           HB3      CYS   2  12.402  -2.925   2.177
    9    HB3  CYS   2           HB2      CYS   2  12.312  -4.689   2.195
   10    H    CYS   3           HN       CYS   3  10.315  -1.661   1.608
   11    HA   CYS   3           HA       CYS   3   8.181  -2.864   3.158
   12    HB2  CYS   3           HB3      CYS   3   8.002  -0.025   2.183
   13    HB3  CYS   3           HB2      CYS   3   7.675  -0.674   3.787
   14    HA   PRO   4           HA       PRO   4   4.950  -2.870   0.129
   15    HB2  PRO   4           HB3      PRO   4   2.839  -1.560   1.270
   16    HB3  PRO   4           HB2      PRO   4   3.407  -3.144   1.838
   17    HG2  PRO   4           HG2      PRO   4   3.733  -0.484   3.053
   18    HG3  PRO   4           HG3      PRO   4   3.718  -2.079   3.811
   19    HD2  PRO   4           HD2      PRO   4   5.978  -0.497   3.227
   20    HD3  PRO   4           HD3      PRO   4   5.973  -2.186   3.782
   21    H    ALA   5           HN       ALA   5   5.943   0.233   1.283
   22    HA   ALA   5           HA       ALA   5   4.552   2.118  -0.175
   23    HB1  ALA   5           HB1      ALA   5   7.277   1.761   0.873
   24    HB2  ALA   5           HB2      ALA   5   6.169   3.120   1.060
   25    HB3  ALA   5           HB3      ALA   5   7.141   2.971  -0.403
   26    HA   PRO   6           HA       PRO   6   7.309  -0.164  -0.253
   27    HB2  PRO   6           HB3      PRO   6   9.514  -1.028  -1.560
   28    HB3  PRO   6           HB2      PRO   6   7.954  -1.866  -1.661
   29    HG2  PRO   6           HG2      PRO   6   9.333  -0.236  -3.670
   30    HG3  PRO   6           HG3      PRO   6   8.097  -1.486  -3.878
   31    HD2  PRO   6           HD2      PRO   6   7.747   1.340  -3.947
   32    HD3  PRO   6           HD3      PRO   6   6.498   0.084  -4.073
   33    H    LEU   7           HN       LEU   7   9.332   0.183   0.917
   34    HA   LEU   7           HA       LEU   7  10.733   2.725   0.142
   35    HB2  LEU   7           HB3      LEU   7   9.158   1.960   2.424
   36    HB3  LEU   7           HB2      LEU   7  10.814   2.272   2.950
   37    HG   LEU   7           HG       LEU   7  10.787   4.478   1.983
   38   HD11  LEU   7          1HD1      LEU   7   9.569   4.869   0.129
   39   HD12  LEU   7          2HD1      LEU   7   8.088   4.716   1.074
   40   HD13  LEU   7          3HD1      LEU   7   8.796   3.299   0.310
   41   HD21  LEU   7          1HD2      LEU   7   8.207   3.832   3.443
   42   HD22  LEU   7          2HD2      LEU   7   8.768   5.476   3.135
   43   HD23  LEU   7          3HD2      LEU   7   9.719   4.395   4.154
   44    H    THR   8           HN       THR   8  12.901   2.821   1.528
   45    HA   THR   8           HA       THR   8  14.749   0.943   0.664
   46    HB   THR   8           HB       THR   8  15.231   3.081   1.818
   47    HG1  THR   8           HG1      THR   8  16.892   1.595   1.781
   48   HG21  THR   8          1HG2      THR   8  13.449   2.812   3.551
   49   HG22  THR   8          2HG2      THR   8  15.013   3.263   4.231
   50   HG23  THR   8          3HG2      THR   8  14.453   1.595   4.340
   51    H    CYS   9           HN       CYS   9  15.915  -0.766   2.015
   52    HA   CYS   9           HA       CYS   9  13.977  -2.678   3.057
   53    HB2  CYS   9           HB3      CYS   9  16.642  -2.618   2.032
   54    HB3  CYS   9           HB2      CYS   9  16.682  -3.409   3.614
   55    H    HIS  10           HN       HIS  10  15.485  -0.029   4.441
   56    HA   HIS  10           HA       HIS  10  15.867  -1.226   7.115
   57    HB2  HIS  10           HB3      HIS  10  16.030   1.632   6.090
   58    HB3  HIS  10           HB2      HIS  10  16.657   1.044   7.631
   59    HD1  HIS  10           HD1      HIS  10  17.621   1.541   4.160
   60    HD2  HIS  10           HD2      HIS  10  18.766  -1.046   7.222
   61    HE1  HIS  10           HE1      HIS  10  19.853   0.561   3.474
   62    H    CYS  11           HN       CYS  11  13.377   0.181   5.244
   63    HA   CYS  11           HA       CYS  11  11.855   1.205   7.564
   64    HB2  CYS  11           HB3      CYS  11  11.304   2.628   5.879
   65    HB3  CYS  11           HB2      CYS  11  12.024   1.562   4.678
   66    H    VAL  12           HN       VAL  12  11.614  -1.277   5.048
   67    HA   VAL  12           HA       VAL  12   9.854  -2.913   4.789
   68    HB   VAL  12           HB       VAL  12  12.136  -3.639   5.793
   69   HG11  VAL  12          1HG1      VAL  12  10.511  -4.489   8.162
   70   HG12  VAL  12          2HG1      VAL  12  11.209  -2.869   8.148
   71   HG13  VAL  12          3HG1      VAL  12  12.258  -4.281   8.017
   72   HG21  VAL  12          1HG2      VAL  12  10.900  -5.298   4.686
   73   HG22  VAL  12          2HG2      VAL  12   9.563  -5.202   5.832
   74   HG23  VAL  12          3HG2      VAL  12  11.077  -5.971   6.307
   75    H    ILE  13           HN       ILE  13   7.769  -2.091   5.231
   76    HA   ILE  13           HA       ILE  13   6.932  -1.797   8.057
   77    HB   ILE  13           HB       ILE  13   5.546  -1.412   5.385
   78   HG12  ILE  13          HG13      ILE  13   7.425   0.159   6.070
   79   HG13  ILE  13          HG12      ILE  13   5.865   0.937   5.799
   80   HG21  ILE  13          1HG2      ILE  13   4.499  -1.544   8.112
   81   HG22  ILE  13          2HG2      ILE  13   3.628  -1.512   6.579
   82   HG23  ILE  13          3HG2      ILE  13   4.146  -0.004   7.331
   83   HD11  ILE  13          1HD1      ILE  13   5.540   1.383   8.035
   84   HD12  ILE  13          2HD1      ILE  13   7.303   1.402   8.010
   85   HD13  ILE  13          3HD1      ILE  13   6.444  -0.038   8.557
   86    H    TYR  14           HN       TYR  14   7.538  -4.454   6.484
   87    HA   TYR  14           HA       TYR  14   5.703  -6.110   7.919
   88    HB2  TYR  14           HB2      TYR  14   4.047  -6.576   6.336
   89    HB3  TYR  14           HB3      TYR  14   4.357  -4.869   6.009
   90    HD1  TYR  14           HD1      TYR  14   6.180  -4.340   4.210
   91    HD2  TYR  14           HD2      TYR  14   4.239  -8.150   4.618
   92    HE1  TYR  14           HE1      TYR  14   6.812  -4.911   1.880
   93    HE2  TYR  14           HE2      TYR  14   4.868  -8.721   2.289
   94    HH   TYR  14           HH       TYR  14   5.440  -7.463   0.177
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1  11.594  -5.257  -2.878
    2    H2   GLY   1           HT2      GLY   1  11.310  -4.360  -4.294
    3    H3   GLY   1           HT3      GLY   1  10.122  -5.422  -3.704
    4    HA2  GLY   1           HA2      GLY   1  10.947  -2.794  -2.659
    5    HA3  GLY   1           HA1      GLY   1   9.323  -3.386  -3.014
    6    H    CYS   2           HN       CYS   2  11.814  -3.204  -0.622
    7    HA   CYS   2           HA       CYS   2  11.058  -5.248   1.178
    8    HB2  CYS   2           HB3      CYS   2  12.560  -2.742   1.150
    9    HB3  CYS   2           HB2      CYS   2  11.834  -3.075   2.726
   10    H    CYS   3           HN       CYS   3  10.248  -1.833   1.867
   11    HA   CYS   3           HA       CYS   3   7.971  -2.562   3.495
   12    HB2  CYS   3           HB3      CYS   3   8.257   0.105   2.106
   13    HB3  CYS   3           HB2      CYS   3   7.650  -0.234   3.724
   14    HA   PRO   4           HA       PRO   4   4.818  -3.002   0.472
   15    HB2  PRO   4           HB3      PRO   4   2.680  -1.726   1.617
   16    HB3  PRO   4           HB2      PRO   4   3.295  -3.292   2.190
   17    HG2  PRO   4           HG2      PRO   4   3.706  -0.573   3.314
   18    HG3  PRO   4           HG3      PRO   4   3.508  -2.124   4.144
   19    HD2  PRO   4           HD2      PRO   4   5.916  -0.866   3.775
   20    HD3  PRO   4           HD3      PRO   4   5.729  -2.618   4.015
   21    H    ALA   5           HN       ALA   5   6.218  -0.050   1.084
   22    HA   ALA   5           HA       ALA   5   4.533   1.811  -0.276
   23    HB1  ALA   5           HB1      ALA   5   7.065   2.759  -0.598
   24    HB2  ALA   5           HB2      ALA   5   7.300   1.603   0.714
   25    HB3  ALA   5           HB3      ALA   5   6.136   2.916   0.891
   26    HA   PRO   6           HA       PRO   6   7.418  -0.310  -0.307
   27    HB2  PRO   6           HB3      PRO   6   9.636  -1.130  -1.643
   28    HB3  PRO   6           HB2      PRO   6   8.127  -2.064  -1.606
   29    HG2  PRO   6           HG2      PRO   6   9.328  -0.545  -3.800
   30    HG3  PRO   6           HG3      PRO   6   8.115  -1.833  -3.849
   31    HD2  PRO   6           HD2      PRO   6   7.701   0.992  -4.072
   32    HD3  PRO   6           HD3      PRO   6   6.487  -0.304  -4.120
   33    H    LEU   7           HN       LEU   7   9.457   0.191   0.759
   34    HA   LEU   7           HA       LEU   7  10.723   2.742  -0.177
   35    HB2  LEU   7           HB3      LEU   7   9.173   2.092   2.158
   36    HB3  LEU   7           HB2      LEU   7  10.818   2.487   2.660
   37    HG   LEU   7           HG       LEU   7  10.732   4.620   1.567
   38   HD11  LEU   7          1HD1      LEU   7   8.690   3.271   0.015
   39   HD12  LEU   7          2HD1      LEU   7   9.604   4.722  -0.387
   40   HD13  LEU   7          3HD1      LEU   7   8.119   4.845   0.558
   41   HD21  LEU   7          1HD2      LEU   7   8.879   3.863   3.582
   42   HD22  LEU   7          2HD2      LEU   7   8.019   4.945   2.488
   43   HD23  LEU   7          3HD2      LEU   7   9.513   5.478   3.260
   44    H    THR   8           HN       THR   8  12.799   2.970   1.500
   45    HA   THR   8           HA       THR   8  14.813   1.242   0.675
   46    HB   THR   8           HB       THR   8  15.126   3.312   1.979
   47    HG1  THR   8           HG1      THR   8  16.905   2.166   2.232
   48   HG21  THR   8          1HG2      THR   8  14.402   3.581   4.178
   49   HG22  THR   8          2HG2      THR   8  14.366   1.844   4.484
   50   HG23  THR   8          3HG2      THR   8  13.104   2.594   3.505
   51    H    CYS   9           HN       CYS   9  15.914  -0.539   1.994
   52    HA   CYS   9           HA       CYS   9  13.870  -2.444   2.907
   53    HB2  CYS   9           HB3      CYS   9  16.697  -2.451   2.049
   54    HB3  CYS   9           HB2      CYS   9  16.288  -3.663   3.268
   55    H    HIS  10           HN       HIS  10  15.477   0.036   4.386
   56    HA   HIS  10           HA       HIS  10  15.972  -1.349   6.956
   57    HB2  HIS  10           HB3      HIS  10  16.807   1.043   5.583
   58    HB3  HIS  10           HB2      HIS  10  16.120   1.494   7.149
   59    HD1  HIS  10           HD1      HIS  10  18.999  -0.291   5.584
   60    HD2  HIS  10           HD2      HIS  10  17.509   0.387   9.418
   61    HE1  HIS  10           HE1      HIS  10  20.827  -0.980   7.195
   62    H    CYS  11           HN       CYS  11  13.433   0.187   5.278
   63    HA   CYS  11           HA       CYS  11  11.975   1.046   7.703
   64    HB2  CYS  11           HB3      CYS  11  11.390   2.579   6.121
   65    HB3  CYS  11           HB2      CYS  11  12.087   1.591   4.843
   66    H    VAL  12           HN       VAL  12  11.856  -1.360   5.130
   67    HA   VAL  12           HA       VAL  12  10.162  -3.040   4.741
   68    HB   VAL  12           HB       VAL  12  12.370  -3.773   5.796
   69   HG11  VAL  12          1HG1      VAL  12  11.008  -4.740   8.193
   70   HG12  VAL  12          2HG1      VAL  12  11.102  -2.980   8.143
   71   HG13  VAL  12          3HG1      VAL  12  12.574  -3.945   8.040
   72   HG21  VAL  12          1HG2      VAL  12  10.040  -5.581   6.461
   73   HG22  VAL  12          2HG2      VAL  12  11.649  -6.039   5.901
   74   HG23  VAL  12          3HG2      VAL  12  10.521  -5.252   4.797
   75    H    ILE  13           HN       ILE  13   8.199  -1.658   5.321
   76    HA   ILE  13           HA       ILE  13   7.119  -2.139   8.042
   77    HB   ILE  13           HB       ILE  13   6.165  -0.639   5.586
   78   HG12  ILE  13          HG13      ILE  13   7.961   0.499   6.698
   79   HG13  ILE  13          HG12      ILE  13   6.477   1.303   7.202
   80   HG21  ILE  13          1HG2      ILE  13   4.086  -0.742   6.453
   81   HG22  ILE  13          2HG2      ILE  13   4.688   0.167   7.839
   82   HG23  ILE  13          3HG2      ILE  13   4.673  -1.595   7.881
   83   HD11  ILE  13          1HD1      ILE  13   7.601   0.994   9.238
   84   HD12  ILE  13          2HD1      ILE  13   8.224  -0.585   8.762
   85   HD13  ILE  13          3HD1      ILE  13   6.523  -0.400   9.184
   86    H    TYR  14           HN       TYR  14   7.490  -4.542   6.868
   87    HA   TYR  14           HA       TYR  14   6.351  -6.541   6.399
   88    HB2  TYR  14           HB2      TYR  14   3.859  -4.852   6.784
   89    HB3  TYR  14           HB3      TYR  14   4.026  -6.591   7.038
   90    HD1  TYR  14           HD1      TYR  14   3.285  -4.079   8.959
   91    HD2  TYR  14           HD2      TYR  14   6.682  -6.651   8.421
   92    HE1  TYR  14           HE1      TYR  14   3.957  -3.682  11.312
   93    HE2  TYR  14           HE2      TYR  14   7.356  -6.253  10.772
   94    HH   TYR  14           HH       TYR  14   6.998  -4.974  12.594
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1  13.211  -0.393  -3.540
    2    H2   GLY   1           HT2      GLY   1  13.576  -1.579  -2.380
    3    H3   GLY   1           HT3      GLY   1  12.769  -0.157  -1.920
    4    HA2  GLY   1           HA2      GLY   1  10.777  -0.794  -2.854
    5    HA3  GLY   1           HA1      GLY   1  11.570  -1.944  -3.930
    6    H    CYS   2           HN       CYS   2  12.115  -1.551  -0.445
    7    HA   CYS   2           HA       CYS   2  11.645  -4.442  -0.078
    8    HB2  CYS   2           HB3      CYS   2  13.184  -2.310   1.092
    9    HB3  CYS   2           HB2      CYS   2  12.243  -3.121   2.350
   10    H    CYS   3           HN       CYS   3  10.568  -1.502   1.656
   11    HA   CYS   3           HA       CYS   3   8.446  -2.776   3.098
   12    HB2  CYS   3           HB3      CYS   3   8.370   0.095   2.129
   13    HB3  CYS   3           HB2      CYS   3   7.792  -0.553   3.661
   14    HA   PRO   4           HA       PRO   4   5.292  -3.107   0.018
   15    HB2  PRO   4           HB3      PRO   4   3.028  -2.299   1.328
   16    HB3  PRO   4           HB2      PRO   4   3.830  -3.849   1.662
   17    HG2  PRO   4           HG2      PRO   4   3.924  -1.301   3.189
   18    HG3  PRO   4           HG3      PRO   4   3.908  -2.971   3.776
   19    HD2  PRO   4           HD2      PRO   4   6.158  -1.414   3.632
   20    HD3  PRO   4           HD3      PRO   4   6.175  -3.190   3.595
   21    H    ALA   5           HN       ALA   5   5.965  -0.110   1.540
   22    HA   ALA   5           HA       ALA   5   4.316   1.818   0.488
   23    HB1  ALA   5           HB1      ALA   5   7.171   1.558   1.184
   24    HB2  ALA   5           HB2      ALA   5   5.986   2.750   1.719
   25    HB3  ALA   5           HB3      ALA   5   6.779   2.934   0.156
   26    HA   PRO   6           HA       PRO   6   7.166  -0.211  -0.181
   27    HB2  PRO   6           HB3      PRO   6   9.245  -0.800  -1.820
   28    HB3  PRO   6           HB2      PRO   6   7.706  -1.679  -1.875
   29    HG2  PRO   6           HG2      PRO   6   8.820   0.237  -3.780
   30    HG3  PRO   6           HG3      PRO   6   7.564  -0.990  -4.008
   31    HD2  PRO   6           HD2      PRO   6   7.233   1.827  -3.609
   32    HD3  PRO   6           HD3      PRO   6   5.977   0.594  -3.847
   33    H    LEU   7           HN       LEU   7   9.464  -0.010   0.659
   34    HA   LEU   7           HA       LEU   7  10.782   2.574  -0.013
   35    HB2  LEU   7           HB3      LEU   7   9.069   2.134   2.206
   36    HB3  LEU   7           HB2      LEU   7  10.712   2.217   2.843
   37    HG   LEU   7           HG       LEU   7  11.090   4.336   1.686
   38   HD11  LEU   7          1HD1      LEU   7   8.360   3.727   0.568
   39   HD12  LEU   7          2HD1      LEU   7   9.829   4.156  -0.301
   40   HD13  LEU   7          3HD1      LEU   7   8.963   5.381   0.625
   41   HD21  LEU   7          1HD2      LEU   7   8.393   4.688   2.964
   42   HD22  LEU   7          2HD2      LEU   7   9.849   5.666   3.148
   43   HD23  LEU   7          3HD2      LEU   7   9.737   4.096   3.943
   44    H    THR   8           HN       THR   8  12.857   2.688   1.538
   45    HA   THR   8           HA       THR   8  14.733   0.794   0.800
   46    HB   THR   8           HB       THR   8  15.276   2.882   1.899
   47    HG1  THR   8           HG1      THR   8  16.617   0.952   2.256
   48   HG21  THR   8          1HG2      THR   8  14.756   3.281   4.257
   49   HG22  THR   8          2HG2      THR   8  14.000   1.693   4.380
   50   HG23  THR   8          3HG2      THR   8  13.270   2.940   3.370
   51    H    CYS   9           HN       CYS   9  15.847  -0.872   2.208
   52    HA   CYS   9           HA       CYS   9  13.896  -2.795   3.254
   53    HB2  CYS   9           HB3      CYS   9  16.918  -2.716   2.975
   54    HB3  CYS   9           HB2      CYS   9  16.030  -4.127   3.559
   55    H    HIS  10           HN       HIS  10  15.435  -0.129   4.569
   56    HA   HIS  10           HA       HIS  10  15.877  -1.295   7.253
   57    HB2  HIS  10           HB3      HIS  10  17.454   0.354   6.451
   58    HB3  HIS  10           HB2      HIS  10  16.148   1.462   6.012
   59    HD1  HIS  10           HD1      HIS  10  15.771   3.244   7.701
   60    HD2  HIS  10           HD2      HIS  10  17.240  -0.235   9.464
   61    HE1  HIS  10           HE1      HIS  10  15.999   3.737  10.173
   62    H    CYS  11           HN       CYS  11  13.412   0.259   5.422
   63    HA   CYS  11           HA       CYS  11  11.927   1.236   7.776
   64    HB2  CYS  11           HB3      CYS  11  11.277   2.670   6.141
   65    HB3  CYS  11           HB2      CYS  11  12.085   1.687   4.925
   66    H    VAL  12           HN       VAL  12  11.739  -1.274   5.309
   67    HA   VAL  12           HA       VAL  12  10.064  -2.972   5.021
   68    HB   VAL  12           HB       VAL  12  12.169  -3.714   6.191
   69   HG11  VAL  12          1HG1      VAL  12  12.374  -3.693   8.460
   70   HG12  VAL  12          2HG1      VAL  12  10.679  -4.105   8.717
   71   HG13  VAL  12          3HG1      VAL  12  11.139  -2.441   8.369
   72   HG21  VAL  12          1HG2      VAL  12  10.881  -5.522   5.505
   73   HG22  VAL  12          2HG2      VAL  12   9.500  -5.047   6.496
   74   HG23  VAL  12          3HG2      VAL  12  10.911  -5.792   7.248
   75    H    ILE  13           HN       ILE  13   8.017  -1.873   5.212
   76    HA   ILE  13           HA       ILE  13   6.848  -1.579   7.917
   77    HB   ILE  13           HB       ILE  13   6.465  -0.582   5.195
   78   HG12  ILE  13          HG13      ILE  13   5.059   0.928   7.141
   79   HG13  ILE  13          HG12      ILE  13   6.532   0.326   7.907
   80   HG21  ILE  13          1HG2      ILE  13   4.072  -0.312   5.206
   81   HG22  ILE  13          2HG2      ILE  13   3.944  -1.043   6.807
   82   HG23  ILE  13          3HG2      ILE  13   4.402  -2.031   5.419
   83   HD11  ILE  13          1HD1      ILE  13   6.263   2.431   5.979
   84   HD12  ILE  13          2HD1      ILE  13   7.227   1.133   5.275
   85   HD13  ILE  13          3HD1      ILE  13   7.722   1.872   6.798
   86    H    TYR  14           HN       TYR  14   7.473  -4.211   6.327
   87    HA   TYR  14           HA       TYR  14   6.555  -6.387   6.411
   88    HB2  TYR  14           HB2      TYR  14   5.722  -5.249   8.628
   89    HB3  TYR  14           HB3      TYR  14   4.161  -5.201   7.801
   90    HD1  TYR  14           HD1      TYR  14   6.929  -7.494   8.814
   91    HD2  TYR  14           HD2      TYR  14   2.814  -7.135   7.636
   92    HE1  TYR  14           HE1      TYR  14   6.565  -9.887   9.361
   93    HE2  TYR  14           HE2      TYR  14   2.448  -9.527   8.183
   94    HH   TYR  14           HH       TYR  14   5.135 -11.628   9.121
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1  13.879  -1.950  -1.103
    2    H2   GLY   1           HT2      GLY   1  14.001  -0.404  -1.796
    3    H3   GLY   1           HT3      GLY   1  13.809  -1.771  -2.787
    4    HA2  GLY   1           HA2      GLY   1  11.829  -0.338  -1.179
    5    HA3  GLY   1           HA1      GLY   1  11.671  -1.039  -2.790
    6    H    CYS   2           HN       CYS   2  12.278  -2.107   0.586
    7    HA   CYS   2           HA       CYS   2  11.062  -4.730  -0.025
    8    HB2  CYS   2           HB3      CYS   2  12.430  -3.449   2.334
    9    HB3  CYS   2           HB2      CYS   2  11.694  -5.040   2.453
   10    H    CYS   3           HN       CYS   3  10.254  -1.741   1.680
   11    HA   CYS   3           HA       CYS   3   8.008  -2.769   3.181
   12    HB2  CYS   3           HB3      CYS   3   8.018   0.039   2.098
   13    HB3  CYS   3           HB2      CYS   3   7.583  -0.529   3.705
   14    HA   PRO   4           HA       PRO   4   4.879  -2.766   0.055
   15    HB2  PRO   4           HB3      PRO   4   2.792  -1.322   1.068
   16    HB3  PRO   4           HB2      PRO   4   3.286  -2.895   1.729
   17    HG2  PRO   4           HG2      PRO   4   3.662  -0.194   2.830
   18    HG3  PRO   4           HG3      PRO   4   3.602  -1.756   3.656
   19    HD2  PRO   4           HD2      PRO   4   5.906  -0.237   3.014
   20    HD3  PRO   4           HD3      PRO   4   5.853  -1.876   3.700
   21    H    ALA   5           HN       ALA   5   5.862   0.406   1.102
   22    HA   ALA   5           HA       ALA   5   4.583   2.215  -0.524
   23    HB1  ALA   5           HB1      ALA   5   7.277   1.868   0.617
   24    HB2  ALA   5           HB2      ALA   5   6.178   3.242   0.724
   25    HB3  ALA   5           HB3      ALA   5   7.183   3.027  -0.709
   26    HA   PRO   6           HA       PRO   6   7.322  -0.078  -0.381
   27    HB2  PRO   6           HB3      PRO   6   9.547  -1.061  -1.585
   28    HB3  PRO   6           HB2      PRO   6   7.979  -1.887  -1.638
   29    HG2  PRO   6           HG2      PRO   6   9.402  -0.449  -3.755
   30    HG3  PRO   6           HG3      PRO   6   8.136  -1.681  -3.876
   31    HD2  PRO   6           HD2      PRO   6   7.863   1.147  -4.156
   32    HD3  PRO   6           HD3      PRO   6   6.590  -0.088  -4.228
   33    H    LEU   7           HN       LEU   7   9.279   0.364   0.827
   34    HA   LEU   7           HA       LEU   7  10.714   2.847  -0.071
   35    HB2  LEU   7           HB3      LEU   7   9.111   2.151   2.231
   36    HB3  LEU   7           HB2      LEU   7  10.745   2.568   2.747
   37    HG   LEU   7           HG       LEU   7  10.624   4.693   1.570
   38   HD11  LEU   7          1HD1      LEU   7   8.880   3.453  -0.103
   39   HD12  LEU   7          2HD1      LEU   7   9.042   5.202  -0.005
   40   HD13  LEU   7          3HD1      LEU   7   7.756   4.383   0.880
   41   HD21  LEU   7          1HD2      LEU   7   8.268   5.431   2.703
   42   HD22  LEU   7          2HD2      LEU   7   9.749   5.187   3.628
   43   HD23  LEU   7          3HD2      LEU   7   8.547   3.900   3.537
   44    H    THR   8           HN       THR   8  12.854   3.017   1.354
   45    HA   THR   8           HA       THR   8  14.758   1.157   0.651
   46    HB   THR   8           HB       THR   8  15.077   3.317   1.892
   47    HG1  THR   8           HG1      THR   8  16.953   2.596   2.485
   48   HG21  THR   8          1HG2      THR   8  13.294   2.859   3.588
   49   HG22  THR   8          2HG2      THR   8  14.825   3.359   4.307
   50   HG23  THR   8          3HG2      THR   8  14.357   1.658   4.323
   51    H    CYS   9           HN       CYS   9  15.686  -0.748   1.745
   52    HA   CYS   9           HA       CYS   9  13.630  -2.424   2.927
   53    HB2  CYS   9           HB3      CYS   9  16.567  -2.758   2.313
   54    HB3  CYS   9           HB2      CYS   9  15.576  -4.055   2.994
   55    H    HIS  10           HN       HIS  10  15.304   0.010   4.261
   56    HA   HIS  10           HA       HIS  10  15.958  -1.320   6.824
   57    HB2  HIS  10           HB3      HIS  10  16.943   0.855   5.423
   58    HB3  HIS  10           HB2      HIS  10  15.922   1.628   6.640
   59    HD1  HIS  10           HD1      HIS  10  16.530  -0.946   8.637
   60    HD2  HIS  10           HD2      HIS  10  19.252   1.736   6.968
   61    HE1  HIS  10           HE1      HIS  10  18.588  -1.005  10.110
   62    H    CYS  11           HN       CYS  11  13.348   0.185   5.195
   63    HA   CYS  11           HA       CYS  11  11.907   1.005   7.641
   64    HB2  CYS  11           HB3      CYS  11  11.228   2.510   6.068
   65    HB3  CYS  11           HB2      CYS  11  11.958   1.554   4.781
   66    H    VAL  12           HN       VAL  12  11.634  -1.284   4.962
   67    HA   VAL  12           HA       VAL  12   9.998  -3.010   4.636
   68    HB   VAL  12           HB       VAL  12  12.282  -3.705   5.594
   69   HG11  VAL  12          1HG1      VAL  12  12.516  -4.234   7.818
   70   HG12  VAL  12          2HG1      VAL  12  10.824  -4.699   7.990
   71   HG13  VAL  12          3HG1      VAL  12  11.273  -2.993   7.990
   72   HG21  VAL  12          1HG2      VAL  12  10.236  -5.152   4.674
   73   HG22  VAL  12          2HG2      VAL  12  10.227  -5.742   6.336
   74   HG23  VAL  12          3HG2      VAL  12  11.677  -5.918   5.346
   75    H    ILE  13           HN       ILE  13   7.918  -2.062   5.155
   76    HA   ILE  13           HA       ILE  13   7.028  -2.205   7.984
   77    HB   ILE  13           HB       ILE  13   5.480  -1.524   5.463
   78   HG12  ILE  13          HG13      ILE  13   7.498  -0.113   5.661
   79   HG13  ILE  13          HG12      ILE  13   6.041   0.827   5.979
   80   HG21  ILE  13          1HG2      ILE  13   3.930  -0.464   6.923
   81   HG22  ILE  13          2HG2      ILE  13   5.044  -0.543   8.288
   82   HG23  ILE  13          3HG2      ILE  13   4.285  -2.016   7.682
   83   HD11  ILE  13          1HD1      ILE  13   6.385   0.609   8.388
   84   HD12  ILE  13          2HD1      ILE  13   7.835   1.281   7.643
   85   HD13  ILE  13          3HD1      ILE  13   7.794  -0.416   8.116
   86    H    TYR  14           HN       TYR  14   7.197  -4.495   8.256
   87    HA   TYR  14           HA       TYR  14   6.064  -6.547   8.539
   88    HB2  TYR  14           HB2      TYR  14   3.851  -6.429   8.131
   89    HB3  TYR  14           HB3      TYR  14   4.113  -4.877   7.354
   90    HD1  TYR  14           HD1      TYR  14   2.381  -7.709   6.904
   91    HD2  TYR  14           HD2      TYR  14   5.414  -5.498   4.802
   92    HE1  TYR  14           HE1      TYR  14   1.639  -8.710   4.763
   93    HE2  TYR  14           HE2      TYR  14   4.663  -6.498   2.669
   94    HH   TYR  14           HH       TYR  14   3.466  -8.559   1.931
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1  10.481  -3.314  -4.659
    2    H2   GLY   1           HT2      GLY   1   9.863  -1.733  -4.596
    3    H3   GLY   1           HT3      GLY   1   9.269  -2.923  -3.540
    4    HA2  GLY   1           HA2      GLY   1  12.136  -2.380  -3.452
    5    HA3  GLY   1           HA1      GLY   1  11.058  -1.158  -2.776
    6    H    CYS   2           HN       CYS   2  12.136  -1.851  -0.700
    7    HA   CYS   2           HA       CYS   2  11.605  -4.496   0.370
    8    HB2  CYS   2           HB3      CYS   2  12.293  -1.934   1.826
    9    HB3  CYS   2           HB2      CYS   2  12.664  -3.586   2.327
   10    H    CYS   3           HN       CYS   3  10.510  -1.381   1.754
   11    HA   CYS   3           HA       CYS   3   8.270  -2.539   3.131
   12    HB2  CYS   3           HB3      CYS   3   8.383   0.322   2.130
   13    HB3  CYS   3           HB2      CYS   3   7.694  -0.279   3.633
   14    HA   PRO   4           HA       PRO   4   5.268  -2.793  -0.087
   15    HB2  PRO   4           HB3      PRO   4   2.973  -1.834   1.056
   16    HB3  PRO   4           HB2      PRO   4   3.684  -3.404   1.491
   17    HG2  PRO   4           HG2      PRO   4   3.780  -0.816   2.940
   18    HG3  PRO   4           HG3      PRO   4   3.700  -2.466   3.575
   19    HD2  PRO   4           HD2      PRO   4   5.986  -0.933   3.472
   20    HD3  PRO   4           HD3      PRO   4   5.964  -2.709   3.563
   21    H    ALA   5           HN       ALA   5   6.079   0.225   1.277
   22    HA   ALA   5           HA       ALA   5   4.520   2.153   0.052
   23    HB1  ALA   5           HB1      ALA   5   7.298   1.850   0.971
   24    HB2  ALA   5           HB2      ALA   5   6.133   3.130   1.312
   25    HB3  ALA   5           HB3      ALA   5   7.054   3.154  -0.191
   26    HA   PRO   6           HA       PRO   6   7.366   0.013  -0.333
   27    HB2  PRO   6           HB3      PRO   6   9.557  -0.634  -1.791
   28    HB3  PRO   6           HB2      PRO   6   8.026  -1.524  -1.912
   29    HG2  PRO   6           HG2      PRO   6   9.263   0.336  -3.810
   30    HG3  PRO   6           HG3      PRO   6   8.062  -0.934  -4.088
   31    HD2  PRO   6           HD2      PRO   6   7.619   1.875  -3.871
   32    HD3  PRO   6           HD3      PRO   6   6.409   0.594  -4.084
   33    H    LEU   7           HN       LEU   7   9.508   0.277   0.724
   34    HA   LEU   7           HA       LEU   7  10.779   2.938   0.158
   35    HB2  LEU   7           HB3      LEU   7   9.230   2.028   2.392
   36    HB3  LEU   7           HB2      LEU   7  10.890   2.280   2.934
   37    HG   LEU   7           HG       LEU   7  10.888   4.547   2.066
   38   HD11  LEU   7          1HD1      LEU   7   9.602   4.962   0.262
   39   HD12  LEU   7          2HD1      LEU   7   8.200   4.975   1.331
   40   HD13  LEU   7          3HD1      LEU   7   8.686   3.484   0.533
   41   HD21  LEU   7          1HD2      LEU   7   8.628   5.321   3.290
   42   HD22  LEU   7          2HD2      LEU   7  10.019   4.731   4.200
   43   HD23  LEU   7          3HD2      LEU   7   8.667   3.650   3.857
   44    H    THR   8           HN       THR   8  12.795   2.850   1.997
   45    HA   THR   8           HA       THR   8  14.761   1.127   0.866
   46    HB   THR   8           HB       THR   8  15.108   3.244   2.168
   47    HG1  THR   8           HG1      THR   8  16.454   1.279   3.611
   48   HG21  THR   8          1HG2      THR   8  14.048   3.431   4.144
   49   HG22  THR   8          2HG2      THR   8  15.170   2.240   4.802
   50   HG23  THR   8          3HG2      THR   8  13.630   1.719   4.122
   51    H    CYS   9           HN       CYS   9  15.968  -0.575   2.286
   52    HA   CYS   9           HA       CYS   9  13.994  -2.543   3.196
   53    HB2  CYS   9           HB3      CYS   9  16.861  -2.409   2.480
   54    HB3  CYS   9           HB2      CYS   9  16.438  -3.630   3.688
   55    H    HIS  10           HN       HIS  10  15.334   0.078   4.659
   56    HA   HIS  10           HA       HIS  10  15.804  -1.171   7.306
   57    HB2  HIS  10           HB3      HIS  10  16.702   1.092   5.893
   58    HB3  HIS  10           HB2      HIS  10  15.665   1.742   7.167
   59    HD1  HIS  10           HD1      HIS  10  19.026   0.505   6.585
   60    HD2  HIS  10           HD2      HIS  10  16.441   0.642   9.853
   61    HE1  HIS  10           HE1      HIS  10  20.456   0.151   8.645
   62    H    CYS  11           HN       CYS  11  13.376   0.470   5.454
   63    HA   CYS  11           HA       CYS  11  11.661   1.036   7.794
   64    HB2  CYS  11           HB3      CYS  11  11.191   2.747   6.380
   65    HB3  CYS  11           HB2      CYS  11  12.050   1.954   5.064
   66    H    VAL  12           HN       VAL  12  12.214  -1.428   5.476
   67    HA   VAL  12           HA       VAL  12  10.261  -2.821   4.558
   68    HB   VAL  12           HB       VAL  12  12.528  -3.650   5.496
   69   HG11  VAL  12          1HG1      VAL  12  10.858  -4.953   7.617
   70   HG12  VAL  12          2HG1      VAL  12  11.520  -3.346   7.917
   71   HG13  VAL  12          3HG1      VAL  12  12.603  -4.695   7.570
   72   HG21  VAL  12          1HG2      VAL  12  10.148  -4.994   4.615
   73   HG22  VAL  12          2HG2      VAL  12  10.972  -6.010   5.796
   74   HG23  VAL  12          3HG2      VAL  12  11.830  -5.458   4.358
   75    H    ILE  13           HN       ILE  13   8.162  -2.094   5.075
   76    HA   ILE  13           HA       ILE  13   7.172  -2.440   7.846
   77    HB   ILE  13           HB       ILE  13   6.079  -1.366   5.245
   78   HG12  ILE  13          HG13      ILE  13   7.677   0.000   6.611
   79   HG13  ILE  13          HG12      ILE  13   6.085   0.745   6.460
   80   HG21  ILE  13          1HG2      ILE  13   4.655  -2.133   7.755
   81   HG22  ILE  13          2HG2      ILE  13   4.078  -2.154   6.088
   82   HG23  ILE  13          3HG2      ILE  13   4.176  -0.628   6.968
   83   HD11  ILE  13          1HD1      ILE  13   7.450   0.138   8.850
   84   HD12  ILE  13          2HD1      ILE  13   6.144  -1.043   8.735
   85   HD13  ILE  13          3HD1      ILE  13   5.781   0.682   8.691
   86    H    TYR  14           HN       TYR  14   6.578  -4.488   8.423
   87    HA   TYR  14           HA       TYR  14   6.175  -6.746   6.906
   88    HB2  TYR  14           HB2      TYR  14   5.777  -5.936   9.518
   89    HB3  TYR  14           HB3      TYR  14   4.148  -6.397   9.013
   90    HD1  TYR  14           HD1      TYR  14   3.550  -8.677   8.714
   91    HD2  TYR  14           HD2      TYR  14   7.672  -7.586   9.211
   92    HE1  TYR  14           HE1      TYR  14   4.156 -11.072   8.938
   93    HE2  TYR  14           HE2      TYR  14   8.280  -9.979   9.437
   94    HH   TYR  14           HH       TYR  14   5.989 -12.413   9.954
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1  10.791  -1.249  -4.506
    2    H2   GLY   1           HT2      GLY   1  11.810  -2.560  -4.149
    3    H3   GLY   1           HT3      GLY   1  12.474  -1.061  -4.592
    4    HA2  GLY   1           HA2      GLY   1  12.701  -0.718  -2.410
    5    HA3  GLY   1           HA1      GLY   1  10.975  -0.361  -2.477
    6    H    CYS   2           HN       CYS   2  12.277  -1.476  -0.181
    7    HA   CYS   2           HA       CYS   2  11.621  -4.350  -0.154
    8    HB2  CYS   2           HB3      CYS   2  12.595  -2.514   2.046
    9    HB3  CYS   2           HB2      CYS   2  12.736  -4.273   1.984
   10    H    CYS   3           HN       CYS   3  10.592  -1.408   1.601
   11    HA   CYS   3           HA       CYS   3   8.552  -2.645   3.188
   12    HB2  CYS   3           HB3      CYS   3   8.407   0.161   2.045
   13    HB3  CYS   3           HB2      CYS   3   7.850  -0.401   3.619
   14    HA   PRO   4           HA       PRO   4   5.298  -3.179   0.260
   15    HB2  PRO   4           HB3      PRO   4   3.060  -2.274   1.554
   16    HB3  PRO   4           HB2      PRO   4   3.881  -3.787   1.992
   17    HG2  PRO   4           HG2      PRO   4   3.937  -1.148   3.331
   18    HG3  PRO   4           HG3      PRO   4   4.048  -2.772   4.024
   19    HD2  PRO   4           HD2      PRO   4   6.180  -1.053   3.616
   20    HD3  PRO   4           HD3      PRO   4   6.311  -2.809   3.852
   21    H    ALA   5           HN       ALA   5   6.043  -0.062   1.439
   22    HA   ALA   5           HA       ALA   5   4.287   1.714   0.227
   23    HB1  ALA   5           HB1      ALA   5   7.057   1.637   1.136
   24    HB2  ALA   5           HB2      ALA   5   5.854   2.915   1.318
   25    HB3  ALA   5           HB3      ALA   5   6.806   2.803  -0.162
   26    HA   PRO   6           HA       PRO   6   7.214  -0.312  -0.204
   27    HB2  PRO   6           HB3      PRO   6   9.377  -0.904  -1.721
   28    HB3  PRO   6           HB2      PRO   6   7.876  -1.845  -1.792
   29    HG2  PRO   6           HG2      PRO   6   8.988   0.044  -3.737
   30    HG3  PRO   6           HG3      PRO   6   7.843  -1.286  -3.972
   31    HD2  PRO   6           HD2      PRO   6   7.267   1.495  -3.787
   32    HD3  PRO   6           HD3      PRO   6   6.115   0.153  -3.929
   33    H    LEU   7           HN       LEU   7   9.537  -0.028   0.609
   34    HA   LEU   7           HA       LEU   7  10.708   2.633  -0.061
   35    HB2  LEU   7           HB3      LEU   7   9.113   2.011   2.220
   36    HB3  LEU   7           HB2      LEU   7  10.775   2.217   2.778
   37    HG   LEU   7           HG       LEU   7  10.927   4.391   1.723
   38   HD11  LEU   7          1HD1      LEU   7   8.305   3.544   0.528
   39   HD12  LEU   7          2HD1      LEU   7   9.719   4.217  -0.278
   40   HD13  LEU   7          3HD1      LEU   7   8.679   5.257   0.697
   41   HD21  LEU   7          1HD2      LEU   7  10.023   4.865   3.784
   42   HD22  LEU   7          2HD2      LEU   7   8.654   3.777   3.548
   43   HD23  LEU   7          3HD2      LEU   7   8.651   5.374   2.799
   44    H    THR   8           HN       THR   8  12.784   2.737   1.647
   45    HA   THR   8           HA       THR   8  14.721   0.940   0.694
   46    HB   THR   8           HB       THR   8  15.147   3.068   1.862
   47    HG1  THR   8           HG1      THR   8  16.761   2.216   3.341
   48   HG21  THR   8          1HG2      THR   8  13.659   3.319   3.599
   49   HG22  THR   8          2HG2      THR   8  15.032   2.694   4.514
   50   HG23  THR   8          3HG2      THR   8  13.726   1.613   4.032
   51    H    CYS   9           HN       CYS   9  15.972  -0.659   2.171
   52    HA   CYS   9           HA       CYS   9  14.098  -2.704   3.141
   53    HB2  CYS   9           HB3      CYS   9  16.949  -2.413   2.412
   54    HB3  CYS   9           HB2      CYS   9  16.635  -3.579   3.701
   55    H    HIS  10           HN       HIS  10  15.494   0.006   4.537
   56    HA   HIS  10           HA       HIS  10  15.914  -1.196   7.210
   57    HB2  HIS  10           HB3      HIS  10  17.321   0.648   6.159
   58    HB3  HIS  10           HB2      HIS  10  15.920   1.711   6.330
   59    HD1  HIS  10           HD1      HIS  10  16.506  -0.834   8.979
   60    HD2  HIS  10           HD2      HIS  10  17.334   3.205   8.361
   61    HE1  HIS  10           HE1      HIS  10  17.207   0.105  11.224
   62    H    CYS  11           HN       CYS  11  13.478   0.380   5.338
   63    HA   CYS  11           HA       CYS  11  11.828   1.073   7.693
   64    HB2  CYS  11           HB3      CYS  11  11.311   2.714   6.207
   65    HB3  CYS  11           HB2      CYS  11  12.135   1.858   4.909
   66    H    VAL  12           HN       VAL  12  12.163  -1.303   5.164
   67    HA   VAL  12           HA       VAL  12  10.291  -2.829   4.469
   68    HB   VAL  12           HB       VAL  12  12.526  -3.453   6.267
   69   HG11  VAL  12          1HG1      VAL  12  10.080  -5.203   6.240
   70   HG12  VAL  12          2HG1      VAL  12  11.176  -4.845   7.574
   71   HG13  VAL  12          3HG1      VAL  12  11.677  -5.948   6.293
   72   HG21  VAL  12          1HG2      VAL  12  11.564  -5.206   4.048
   73   HG22  VAL  12          2HG2      VAL  12  13.206  -4.713   4.458
   74   HG23  VAL  12          3HG2      VAL  12  12.125  -3.584   3.643
   75    H    ILE  13           HN       ILE  13   8.209  -2.115   5.074
   76    HA   ILE  13           HA       ILE  13   7.344  -2.544   7.892
   77    HB   ILE  13           HB       ILE  13   6.119  -1.257   5.438
   78   HG12  ILE  13          HG13      ILE  13   6.806   0.064   8.055
   79   HG13  ILE  13          HG12      ILE  13   8.052  -0.198   6.835
   80   HG21  ILE  13          1HG2      ILE  13   5.008  -1.653   8.223
   81   HG22  ILE  13          2HG2      ILE  13   4.282  -2.146   6.694
   82   HG23  ILE  13          3HG2      ILE  13   4.388  -0.435   7.107
   83   HD11  ILE  13          1HD1      ILE  13   7.139   2.002   6.460
   84   HD12  ILE  13          2HD1      ILE  13   5.489   1.383   6.520
   85   HD13  ILE  13          3HD1      ILE  13   6.540   0.959   5.170
   86    H    TYR  14           HN       TYR  14   5.305  -3.730   8.281
   87    HA   TYR  14           HA       TYR  14   5.223  -6.319   7.087
   88    HB2  TYR  14           HB2      TYR  14   2.969  -4.845   8.480
   89    HB3  TYR  14           HB3      TYR  14   3.268  -6.587   8.470
   90    HD1  TYR  14           HD1      TYR  14   3.352  -3.978  10.613
   91    HD2  TYR  14           HD2      TYR  14   6.046  -6.927   9.031
   92    HE1  TYR  14           HE1      TYR  14   4.789  -3.743  12.620
   93    HE2  TYR  14           HE2      TYR  14   7.482  -6.692  11.040
   94    HH   TYR  14           HH       TYR  14   6.461  -4.897  13.830
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1  11.147  -5.286  -4.237
    2    H2   GLY   1           HT2      GLY   1  12.310  -4.643  -3.178
    3    H3   GLY   1           HT3      GLY   1  11.820  -3.760  -4.544
    4    HA2  GLY   1           HA2      GLY   1  10.576  -2.705  -2.979
    5    HA3  GLY   1           HA1      GLY   1   9.468  -3.996  -3.444
    6    H    CYS   2           HN       CYS   2  11.476  -2.754  -0.908
    7    HA   CYS   2           HA       CYS   2  11.314  -5.143   0.773
    8    HB2  CYS   2           HB3      CYS   2  12.090  -2.274   1.370
    9    HB3  CYS   2           HB2      CYS   2  12.471  -3.683   2.363
   10    H    CYS   3           HN       CYS   3  10.333  -1.857   1.751
   11    HA   CYS   3           HA       CYS   3   8.238  -2.808   3.485
   12    HB2  CYS   3           HB3      CYS   3   8.163  -0.084   2.194
   13    HB3  CYS   3           HB2      CYS   3   7.779  -0.530   3.850
   14    HA   PRO   4           HA       PRO   4   4.892  -3.060   0.609
   15    HB2  PRO   4           HB3      PRO   4   2.808  -1.757   1.814
   16    HB3  PRO   4           HB2      PRO   4   3.437  -3.315   2.390
   17    HG2  PRO   4           HG2      PRO   4   3.754  -0.624   3.532
   18    HG3  PRO   4           HG3      PRO   4   3.832  -2.205   4.319
   19    HD2  PRO   4           HD2      PRO   4   6.003  -0.560   3.570
   20    HD3  PRO   4           HD3      PRO   4   6.085  -2.227   4.183
   21    H    ALA   5           HN       ALA   5   6.257  -0.069   1.281
   22    HA   ALA   5           HA       ALA   5   4.624   1.806  -0.089
   23    HB1  ALA   5           HB1      ALA   5   6.287   2.895   1.011
   24    HB2  ALA   5           HB2      ALA   5   7.214   2.645  -0.468
   25    HB3  ALA   5           HB3      ALA   5   7.387   1.523   0.882
   26    HA   PRO   6           HA       PRO   6   7.485  -0.299  -0.111
   27    HB2  PRO   6           HB3      PRO   6   9.637  -1.245  -1.462
   28    HB3  PRO   6           HB2      PRO   6   8.103  -2.131  -1.357
   29    HG2  PRO   6           HG2      PRO   6   9.302  -0.754  -3.639
   30    HG3  PRO   6           HG3      PRO   6   8.036  -1.990  -3.603
   31    HD2  PRO   6           HD2      PRO   6   7.744   0.853  -3.917
   32    HD3  PRO   6           HD3      PRO   6   6.481  -0.397  -3.932
   33    H    LEU   7           HN       LEU   7   9.443   0.318   0.956
   34    HA   LEU   7           HA       LEU   7  10.785   2.744  -0.199
   35    HB2  LEU   7           HB3      LEU   7   9.303   2.217   2.227
   36    HB3  LEU   7           HB2      LEU   7  10.952   2.706   2.626
   37    HG   LEU   7           HG       LEU   7  10.720   4.708   1.238
   38   HD11  LEU   7          1HD1      LEU   7   8.930   5.096  -0.173
   39   HD12  LEU   7          2HD1      LEU   7   7.803   4.194   0.841
   40   HD13  LEU   7          3HD1      LEU   7   8.929   3.336  -0.205
   41   HD21  LEU   7          1HD2      LEU   7   9.436   5.913   2.754
   42   HD22  LEU   7          2HD2      LEU   7   9.693   4.433   3.677
   43   HD23  LEU   7          3HD2      LEU   7   8.172   4.684   2.819
   44    H    THR   8           HN       THR   8  12.893   2.996   1.524
   45    HA   THR   8           HA       THR   8  14.875   1.236   0.708
   46    HB   THR   8           HB       THR   8  15.271   3.270   2.014
   47    HG1  THR   8           HG1      THR   8  16.942   1.892   2.228
   48   HG21  THR   8          1HG2      THR   8  14.217   1.778   4.422
   49   HG22  THR   8          2HG2      THR   8  13.225   2.892   3.482
   50   HG23  THR   8          3HG2      THR   8  14.663   3.480   4.318
   51    H    CYS   9           HN       CYS   9  15.922  -0.611   1.943
   52    HA   CYS   9           HA       CYS   9  13.874  -2.517   2.765
   53    HB2  CYS   9           HB3      CYS   9  16.522  -2.522   1.744
   54    HB3  CYS   9           HB2      CYS   9  16.545  -3.418   3.268
   55    H    HIS  10           HN       HIS  10  15.386  -0.067   4.406
   56    HA   HIS  10           HA       HIS  10  15.621  -1.526   6.983
   57    HB2  HIS  10           HB3      HIS  10  16.672   0.863   5.723
   58    HB3  HIS  10           HB2      HIS  10  15.949   1.273   7.283
   59    HD1  HIS  10           HD1      HIS  10  16.801  -0.257   9.363
   60    HD2  HIS  10           HD2      HIS  10  19.153  -0.361   5.922
   61    HE1  HIS  10           HE1      HIS  10  19.044  -1.210  10.057
   62    H    CYS  11           HN       CYS  11  13.377   0.277   5.138
   63    HA   CYS  11           HA       CYS  11  11.767   1.198   7.436
   64    HB2  CYS  11           HB3      CYS  11  11.385   2.789   5.858
   65    HB3  CYS  11           HB2      CYS  11  12.225   1.823   4.650
   66    H    VAL  12           HN       VAL  12  12.077  -1.581   5.486
   67    HA   VAL  12           HA       VAL  12   9.885  -2.781   4.712
   68    HB   VAL  12           HB       VAL  12  12.055  -3.867   5.393
   69   HG11  VAL  12          1HG1      VAL  12  12.557  -4.319   7.567
   70   HG12  VAL  12          2HG1      VAL  12  10.885  -4.710   7.972
   71   HG13  VAL  12          3HG1      VAL  12  11.406  -3.027   7.910
   72   HG21  VAL  12          1HG2      VAL  12  11.051  -5.874   5.050
   73   HG22  VAL  12          2HG2      VAL  12   9.547  -4.954   4.986
   74   HG23  VAL  12          3HG2      VAL  12  10.052  -5.714   6.495
   75    H    ILE  13           HN       ILE  13   7.937  -1.759   5.375
   76    HA   ILE  13           HA       ILE  13   7.131  -1.927   8.222
   77    HB   ILE  13           HB       ILE  13   6.081  -0.725   5.664
   78   HG12  ILE  13          HG13      ILE  13   6.016   0.880   8.083
   79   HG13  ILE  13          HG12      ILE  13   7.612   0.169   7.844
   80   HG21  ILE  13          1HG2      ILE  13   4.026  -1.491   6.501
   81   HG22  ILE  13          2HG2      ILE  13   4.159   0.114   7.221
   82   HG23  ILE  13          3HG2      ILE  13   4.538  -1.317   8.180
   83   HD11  ILE  13          1HD1      ILE  13   6.728   1.051   5.298
   84   HD12  ILE  13          2HD1      ILE  13   8.034   1.724   6.275
   85   HD13  ILE  13          3HD1      ILE  13   6.396   2.361   6.430
   86    H    TYR  14           HN       TYR  14   7.442  -4.235   6.083
   87    HA   TYR  14           HA       TYR  14   6.412  -6.326   5.757
   88    HB2  TYR  14           HB2      TYR  14   6.257  -6.023   8.271
   89    HB3  TYR  14           HB3      TYR  14   4.622  -5.398   8.025
   90    HD1  TYR  14           HD1      TYR  14   2.819  -6.850   7.216
   91    HD2  TYR  14           HD2      TYR  14   6.781  -8.372   7.885
   92    HE1  TYR  14           HE1      TYR  14   1.948  -9.170   7.100
   93    HE2  TYR  14           HE2      TYR  14   5.911 -10.690   7.768
   94    HH   TYR  14           HH       TYR  14   2.992 -11.496   6.498
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1  10.590  -7.722  -0.156
    2    H2   GLY   1           HT2      GLY   1  10.029  -7.797   1.445
    3    H3   GLY   1           HT3      GLY   1  10.716  -9.170   0.718
    4    HA2  GLY   1           HA2      GLY   1  12.402  -8.365   2.088
    5    HA3  GLY   1           HA1      GLY   1  12.820  -7.798   0.470
    6    H    CYS   2           HN       CYS   2  11.494  -5.610  -0.027
    7    HA   CYS   2           HA       CYS   2  12.359  -3.726   2.077
    8    HB2  CYS   2           HB3      CYS   2  11.807  -3.758  -0.818
    9    HB3  CYS   2           HB2      CYS   2  11.304  -2.270  -0.011
   10    H    CYS   3           HN       CYS   3  10.482  -1.642   1.605
   11    HA   CYS   3           HA       CYS   3   8.210  -2.641   3.190
   12    HB2  CYS   3           HB3      CYS   3   8.305   0.123   2.024
   13    HB3  CYS   3           HB2      CYS   3   7.789  -0.392   3.623
   14    HA   PRO   4           HA       PRO   4   5.380  -3.064  -0.154
   15    HB2  PRO   4           HB3      PRO   4   3.042  -2.230   0.998
   16    HB3  PRO   4           HB2      PRO   4   3.819  -3.773   1.412
   17    HG2  PRO   4           HG2      PRO   4   3.805  -1.202   2.898
   18    HG3  PRO   4           HG3      PRO   4   3.778  -2.861   3.510
   19    HD2  PRO   4           HD2      PRO   4   6.014  -1.256   3.453
   20    HD3  PRO   4           HD3      PRO   4   6.049  -3.034   3.496
   21    H    ALA   5           HN       ALA   5   5.880  -0.027   1.398
   22    HA   ALA   5           HA       ALA   5   4.327   1.878   0.231
   23    HB1  ALA   5           HB1      ALA   5   6.809   2.964  -0.099
   24    HB2  ALA   5           HB2      ALA   5   7.162   1.624   0.992
   25    HB3  ALA   5           HB3      ALA   5   5.980   2.849   1.451
   26    HA   PRO   6           HA       PRO   6   7.212  -0.142  -0.322
   27    HB2  PRO   6           HB3      PRO   6   9.333  -0.728  -1.907
   28    HB3  PRO   6           HB2      PRO   6   7.819  -1.652  -1.945
   29    HG2  PRO   6           HG2      PRO   6   8.909   0.224  -3.908
   30    HG3  PRO   6           HG3      PRO   6   7.694  -1.047  -4.110
   31    HD2  PRO   6           HD2      PRO   6   7.272   1.771  -3.831
   32    HD3  PRO   6           HD3      PRO   6   6.055   0.492  -4.026
   33    H    LEU   7           HN       LEU   7   9.418   0.149   0.598
   34    HA   LEU   7           HA       LEU   7  10.711   2.757  -0.090
   35    HB2  LEU   7           HB3      LEU   7   9.053   2.164   2.158
   36    HB3  LEU   7           HB2      LEU   7  10.706   2.335   2.749
   37    HG   LEU   7           HG       LEU   7  10.920   4.519   1.761
   38   HD11  LEU   7          1HD1      LEU   7   8.729   5.400   0.592
   39   HD12  LEU   7          2HD1      LEU   7   8.411   3.687   0.343
   40   HD13  LEU   7          3HD1      LEU   7   9.871   4.415  -0.322
   41   HD21  LEU   7          1HD2      LEU   7   9.304   5.741   3.028
   42   HD22  LEU   7          2HD2      LEU   7   9.540   4.231   3.907
   43   HD23  LEU   7          3HD2      LEU   7   8.113   4.447   2.893
   44    H    THR   8           HN       THR   8  12.860   2.857   1.342
   45    HA   THR   8           HA       THR   8  14.683   0.925   0.563
   46    HB   THR   8           HB       THR   8  15.047   3.116   1.801
   47    HG1  THR   8           HG1      THR   8  16.936   2.229   1.811
   48   HG21  THR   8          1HG2      THR   8  13.634   1.654   3.820
   49   HG22  THR   8          2HG2      THR   8  14.179   3.330   3.859
   50   HG23  THR   8          3HG2      THR   8  15.244   2.043   4.426
   51    H    CYS   9           HN       CYS   9  15.593  -0.976   1.664
   52    HA   CYS   9           HA       CYS   9  13.551  -2.647   2.876
   53    HB2  CYS   9           HB3      CYS   9  16.424  -2.872   2.067
   54    HB3  CYS   9           HB2      CYS   9  15.736  -4.123   3.111
   55    H    HIS  10           HN       HIS  10  15.311  -0.201   4.203
   56    HA   HIS  10           HA       HIS  10  15.896  -1.539   6.782
   57    HB2  HIS  10           HB3      HIS  10  16.808   0.722   5.306
   58    HB3  HIS  10           HB2      HIS  10  16.108   1.336   6.808
   59    HD1  HIS  10           HD1      HIS  10  16.958  -0.117   9.035
   60    HD2  HIS  10           HD2      HIS  10  19.398  -0.165   5.655
   61    HE1  HIS  10           HE1      HIS  10  19.249  -0.860   9.816
   62    H    CYS  11           HN       CYS  11  13.368   0.147   5.194
   63    HA   CYS  11           HA       CYS  11  12.038   1.031   7.682
   64    HB2  CYS  11           HB3      CYS  11  11.328   2.596   6.202
   65    HB3  CYS  11           HB2      CYS  11  12.119   1.726   4.892
   66    H    VAL  12           HN       VAL  12  11.685  -1.309   5.071
   67    HA   VAL  12           HA       VAL  12   9.916  -2.895   4.716
   68    HB   VAL  12           HB       VAL  12  12.105  -3.693   5.897
   69   HG11  VAL  12          1HG1      VAL  12  11.003  -2.958   8.178
   70   HG12  VAL  12          2HG1      VAL  12  11.983  -4.422   8.104
   71   HG13  VAL  12          3HG1      VAL  12  10.223  -4.537   8.076
   72   HG21  VAL  12          1HG2      VAL  12  10.755  -5.194   4.584
   73   HG22  VAL  12          2HG2      VAL  12   9.519  -5.270   5.838
   74   HG23  VAL  12          3HG2      VAL  12  11.098  -6.006   6.111
   75    H    ILE  13           HN       ILE  13   7.854  -1.929   5.039
   76    HA   ILE  13           HA       ILE  13   6.848  -1.699   7.822
   77    HB   ILE  13           HB       ILE  13   5.436  -1.243   5.177
   78   HG12  ILE  13          HG13      ILE  13   7.580   0.056   5.404
   79   HG13  ILE  13          HG12      ILE  13   6.146   1.077   5.331
   80   HG21  ILE  13          1HG2      ILE  13   3.964   0.178   6.482
   81   HG22  ILE  13          2HG2      ILE  13   4.956  -0.054   7.923
   82   HG23  ILE  13          3HG2      ILE  13   4.041  -1.406   7.254
   83   HD11  ILE  13          1HD1      ILE  13   6.382   0.575   8.038
   84   HD12  ILE  13          2HD1      ILE  13   6.949   2.032   7.223
   85   HD13  ILE  13          3HD1      ILE  13   8.064   0.699   7.524
   86    H    TYR  14           HN       TYR  14   7.530  -4.349   6.982
   87    HA   TYR  14           HA       TYR  14   5.281  -5.851   7.779
   88    HB2  TYR  14           HB2      TYR  14   5.098  -4.786   5.150
   89    HB3  TYR  14           HB3      TYR  14   5.369  -6.524   4.975
   90    HD1  TYR  14           HD1      TYR  14   4.075  -7.469   7.525
   91    HD2  TYR  14           HD2      TYR  14   2.795  -4.604   4.593
   92    HE1  TYR  14           HE1      TYR  14   1.710  -7.897   8.137
   93    HE2  TYR  14           HE2      TYR  14   0.432  -5.032   5.205
   94    HH   TYR  14           HH       TYR  14  -0.811  -7.203   6.324
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1  13.183  -0.563  -3.927
    2    H2   GLY   1           HT2      GLY   1  12.899  -2.152  -4.456
    3    H3   GLY   1           HT3      GLY   1  13.538  -1.872  -2.908
    4    HA2  GLY   1           HA2      GLY   1  11.338  -0.487  -2.621
    5    HA3  GLY   1           HA1      GLY   1  10.785  -1.609  -3.867
    6    H    CYS   2           HN       CYS   2  12.175  -1.427  -0.614
    7    HA   CYS   2           HA       CYS   2  11.740  -4.308  -0.155
    8    HB2  CYS   2           HB3      CYS   2  13.341  -2.184   0.871
    9    HB3  CYS   2           HB2      CYS   2  12.376  -2.825   2.205
   10    H    CYS   3           HN       CYS   3  10.727  -1.400   1.683
   11    HA   CYS   3           HA       CYS   3   8.616  -2.663   3.115
   12    HB2  CYS   3           HB3      CYS   3   8.483   0.199   2.121
   13    HB3  CYS   3           HB2      CYS   3   7.913  -0.449   3.652
   14    HA   PRO   4           HA       PRO   4   5.440  -3.057   0.075
   15    HB2  PRO   4           HB3      PRO   4   3.178  -2.225   1.372
   16    HB3  PRO   4           HB2      PRO   4   3.987  -3.764   1.740
   17    HG2  PRO   4           HG2      PRO   4   4.061  -1.186   3.212
   18    HG3  PRO   4           HG3      PRO   4   4.081  -2.843   3.831
   19    HD2  PRO   4           HD2      PRO   4   6.299  -1.234   3.623
   20    HD3  PRO   4           HD3      PRO   4   6.348  -3.009   3.663
   21    H    ALA   5           HN       ALA   5   6.090  -0.012   1.517
   22    HA   ALA   5           HA       ALA   5   4.409   1.857   0.419
   23    HB1  ALA   5           HB1      ALA   5   6.069   2.818   1.645
   24    HB2  ALA   5           HB2      ALA   5   6.810   3.047   0.062
   25    HB3  ALA   5           HB3      ALA   5   7.289   1.682   1.069
   26    HA   PRO   6           HA       PRO   6   7.292  -0.151  -0.235
   27    HB2  PRO   6           HB3      PRO   6   9.348  -0.754  -1.901
   28    HB3  PRO   6           HB2      PRO   6   7.817  -1.653  -1.904
   29    HG2  PRO   6           HG2      PRO   6   8.872   0.236  -3.873
   30    HG3  PRO   6           HG3      PRO   6   7.632  -1.015  -4.054
   31    HD2  PRO   6           HD2      PRO   6   7.263   1.804  -3.719
   32    HD3  PRO   6           HD3      PRO   6   6.021   0.546  -3.894
   33    H    LEU   7           HN       LEU   7   9.498   0.132   0.654
   34    HA   LEU   7           HA       LEU   7  10.789   2.741  -0.064
   35    HB2  LEU   7           HB3      LEU   7   9.252   2.068   2.259
   36    HB3  LEU   7           HB2      LEU   7  10.934   2.285   2.747
   37    HG   LEU   7           HG       LEU   7  11.016   4.481   1.746
   38   HD11  LEU   7          1HD1      LEU   7   8.568   5.221   0.877
   39   HD12  LEU   7          2HD1      LEU   7   8.518   3.509   0.470
   40   HD13  LEU   7          3HD1      LEU   7   9.789   4.531  -0.192
   41   HD21  LEU   7          1HD2      LEU   7  10.133   4.667   3.925
   42   HD22  LEU   7          2HD2      LEU   7   8.616   3.890   3.475
   43   HD23  LEU   7          3HD2      LEU   7   8.952   5.537   2.946
   44    H    THR   8           HN       THR   8  12.818   2.672   1.834
   45    HA   THR   8           HA       THR   8  14.727   0.864   0.749
   46    HB   THR   8           HB       THR   8  15.129   2.995   2.005
   47    HG1  THR   8           HG1      THR   8  16.950   2.209   3.055
   48   HG21  THR   8          1HG2      THR   8  14.173   3.264   4.024
   49   HG22  THR   8          2HG2      THR   8  15.168   1.950   4.656
   50   HG23  THR   8          3HG2      THR   8  13.581   1.604   3.972
   51    H    CYS   9           HN       CYS   9  15.934  -0.765   2.280
   52    HA   CYS   9           HA       CYS   9  13.973  -2.763   3.164
   53    HB2  CYS   9           HB3      CYS   9  16.986  -2.604   2.955
   54    HB3  CYS   9           HB2      CYS   9  16.153  -4.032   3.577
   55    H    HIS  10           HN       HIS  10  15.360  -0.105   4.621
   56    HA   HIS  10           HA       HIS  10  15.711  -1.319   7.298
   57    HB2  HIS  10           HB3      HIS  10  16.999   0.641   6.030
   58    HB3  HIS  10           HB2      HIS  10  15.701   1.625   6.712
   59    HD1  HIS  10           HD1      HIS  10  18.737   1.750   7.643
   60    HD2  HIS  10           HD2      HIS  10  15.691  -0.327   9.588
   61    HE1  HIS  10           HE1      HIS  10  19.474   1.493  10.051
   62    H    CYS  11           HN       CYS  11  13.369   0.436   5.411
   63    HA   CYS  11           HA       CYS  11  11.686   1.094   7.750
   64    HB2  CYS  11           HB3      CYS  11  11.189   2.794   6.344
   65    HB3  CYS  11           HB2      CYS  11  12.155   2.042   5.078
   66    H    VAL  12           HN       VAL  12  12.153  -1.504   5.624
   67    HA   VAL  12           HA       VAL  12  10.104  -2.767   4.666
   68    HB   VAL  12           HB       VAL  12  12.324  -3.678   5.724
   69   HG11  VAL  12          1HG1      VAL  12  11.314  -3.389   8.084
   70   HG12  VAL  12          2HG1      VAL  12  12.136  -4.909   7.733
   71   HG13  VAL  12          3HG1      VAL  12  10.374  -4.835   7.714
   72   HG21  VAL  12          1HG2      VAL  12   9.822  -5.361   5.418
   73   HG22  VAL  12          2HG2      VAL  12  11.466  -5.996   5.434
   74   HG23  VAL  12          3HG2      VAL  12  10.949  -4.921   4.135
   75    H    ILE  13           HN       ILE  13   8.009  -2.018   5.095
   76    HA   ILE  13           HA       ILE  13   6.989  -2.198   7.886
   77    HB   ILE  13           HB       ILE  13   5.662  -1.287   5.315
   78   HG12  ILE  13          HG13      ILE  13   7.728  -0.002   5.891
   79   HG13  ILE  13          HG12      ILE  13   6.266   0.976   6.024
   80   HG21  ILE  13          1HG2      ILE  13   4.884  -0.219   7.969
   81   HG22  ILE  13          2HG2      ILE  13   4.457  -1.904   7.666
   82   HG23  ILE  13          3HG2      ILE  13   3.878  -0.639   6.582
   83   HD11  ILE  13          1HD1      ILE  13   7.686   1.349   7.983
   84   HD12  ILE  13          2HD1      ILE  13   7.717  -0.384   8.312
   85   HD13  ILE  13          3HD1      ILE  13   6.208   0.516   8.465
   86    H    TYR  14           HN       TYR  14   6.522  -4.324   8.394
   87    HA   TYR  14           HA       TYR  14   5.683  -6.358   6.601
   88    HB2  TYR  14           HB2      TYR  14   6.573  -6.499   8.982
   89    HB3  TYR  14           HB3      TYR  14   4.950  -6.062   9.527
   90    HD1  TYR  14           HD1      TYR  14   7.086  -8.706   8.302
   91    HD2  TYR  14           HD2      TYR  14   2.989  -7.546   8.865
   92    HE1  TYR  14           HE1      TYR  14   6.386 -11.073   8.073
   93    HE2  TYR  14           HE2      TYR  14   2.288  -9.914   8.637
   94    HH   TYR  14           HH       TYR  14   3.034 -12.058   8.608
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1  13.454  -2.004  -2.982
    2    H2   GLY   1           HT2      GLY   1  13.323  -0.322  -2.780
    3    H3   GLY   1           HT3      GLY   1  12.922  -1.035  -4.269
    4    HA2  GLY   1           HA2      GLY   1  11.173  -0.422  -2.276
    5    HA3  GLY   1           HA1      GLY   1  10.859  -1.506  -3.631
    6    H    CYS   2           HN       CYS   2  12.146  -1.443  -0.313
    7    HA   CYS   2           HA       CYS   2  11.904  -4.378  -0.098
    8    HB2  CYS   2           HB3      CYS   2  13.425  -2.298   1.067
    9    HB3  CYS   2           HB2      CYS   2  12.442  -2.978   2.368
   10    H    CYS   3           HN       CYS   3  10.520  -1.519   1.538
   11    HA   CYS   3           HA       CYS   3   8.542  -3.092   3.002
   12    HB2  CYS   3           HB3      CYS   3   8.010  -0.213   2.389
   13    HB3  CYS   3           HB2      CYS   3   7.913  -1.061   3.928
   14    HA   PRO   4           HA       PRO   4   5.389  -3.236  -0.077
   15    HB2  PRO   4           HB3      PRO   4   3.110  -2.518   1.262
   16    HB3  PRO   4           HB2      PRO   4   3.920  -4.081   1.509
   17    HG2  PRO   4           HG2      PRO   4   3.967  -1.638   3.193
   18    HG3  PRO   4           HG3      PRO   4   3.996  -3.340   3.666
   19    HD2  PRO   4           HD2      PRO   4   6.202  -1.697   3.617
   20    HD3  PRO   4           HD3      PRO   4   6.265  -3.471   3.516
   21    H    ALA   5           HN       ALA   5   5.997  -0.328   1.644
   22    HA   ALA   5           HA       ALA   5   4.387   1.668   0.729
   23    HB1  ALA   5           HB1      ALA   5   7.231   1.320   1.357
   24    HB2  ALA   5           HB2      ALA   5   6.105   2.565   1.899
   25    HB3  ALA   5           HB3      ALA   5   6.902   2.717   0.334
   26    HA   PRO   6           HA       PRO   6   7.227  -0.300  -0.129
   27    HB2  PRO   6           HB3      PRO   6   9.156  -0.912  -1.935
   28    HB3  PRO   6           HB2      PRO   6   7.596  -1.756  -1.883
   29    HG2  PRO   6           HG2      PRO   6   8.613   0.128  -3.861
   30    HG3  PRO   6           HG3      PRO   6   7.272  -1.022  -3.978
   31    HD2  PRO   6           HD2      PRO   6   7.166   1.818  -3.486
   32    HD3  PRO   6           HD3      PRO   6   5.822   0.677  -3.718
   33    H    LEU   7           HN       LEU   7   9.174   0.144   0.989
   34    HA   LEU   7           HA       LEU   7  10.615   2.625   0.089
   35    HB2  LEU   7           HB3      LEU   7   9.174   1.937   2.483
   36    HB3  LEU   7           HB2      LEU   7  10.868   2.233   2.882
   37    HG   LEU   7           HG       LEU   7  10.801   4.399   1.766
   38   HD11  LEU   7          1HD1      LEU   7   7.935   4.538   1.307
   39   HD12  LEU   7          2HD1      LEU   7   8.669   3.242   0.369
   40   HD13  LEU   7          3HD1      LEU   7   9.258   4.892   0.198
   41   HD21  LEU   7          1HD2      LEU   7  10.071   5.115   3.781
   42   HD22  LEU   7          2HD2      LEU   7   9.075   3.676   3.993
   43   HD23  LEU   7          3HD2      LEU   7   8.437   5.071   3.123
   44    H    THR   8           HN       THR   8  12.714   2.532   1.884
   45    HA   THR   8           HA       THR   8  14.503   0.625   0.712
   46    HB   THR   8           HB       THR   8  15.136   2.805   1.668
   47    HG1  THR   8           HG1      THR   8  16.958   1.826   1.914
   48   HG21  THR   8          1HG2      THR   8  14.911   3.345   3.938
   49   HG22  THR   8          2HG2      THR   8  14.760   1.658   4.423
   50   HG23  THR   8          3HG2      THR   8  13.421   2.462   3.608
   51    H    CYS   9           HN       CYS   9  15.808  -0.957   2.101
   52    HA   CYS   9           HA       CYS   9  14.034  -2.888   3.362
   53    HB2  CYS   9           HB3      CYS   9  17.039  -2.615   3.048
   54    HB3  CYS   9           HB2      CYS   9  16.257  -4.050   3.717
   55    H    HIS  10           HN       HIS  10  15.454  -0.059   4.485
   56    HA   HIS  10           HA       HIS  10  15.921  -1.013   7.246
   57    HB2  HIS  10           HB3      HIS  10  16.908   1.013   5.612
   58    HB3  HIS  10           HB2      HIS  10  15.827   1.878   6.709
   59    HD1  HIS  10           HD1      HIS  10  16.453   1.938   9.212
   60    HD2  HIS  10           HD2      HIS  10  19.152  -0.230   6.888
   61    HE1  HIS  10           HE1      HIS  10  18.475   1.508  10.676
   62    H    CYS  11           HN       CYS  11  13.430   0.324   5.261
   63    HA   CYS  11           HA       CYS  11  11.821   1.283   7.548
   64    HB2  CYS  11           HB3      CYS  11  11.263   2.709   5.871
   65    HB3  CYS  11           HB2      CYS  11  12.048   1.684   4.674
   66    H    VAL  12           HN       VAL  12  11.865  -1.266   5.101
   67    HA   VAL  12           HA       VAL  12   9.955  -2.843   4.769
   68    HB   VAL  12           HB       VAL  12  12.323  -3.421   6.468
   69   HG11  VAL  12          1HG1      VAL  12  11.381  -5.934   6.334
   70   HG12  VAL  12          2HG1      VAL  12   9.845  -5.088   6.512
   71   HG13  VAL  12          3HG1      VAL  12  11.097  -4.909   7.741
   72   HG21  VAL  12          1HG2      VAL  12  11.349  -3.842   3.782
   73   HG22  VAL  12          2HG2      VAL  12  11.865  -5.373   4.487
   74   HG23  VAL  12          3HG2      VAL  12  12.989  -4.017   4.407
   75    H    ILE  13           HN       ILE  13   8.053  -1.767   5.675
   76    HA   ILE  13           HA       ILE  13   7.539  -2.202   8.572
   77    HB   ILE  13           HB       ILE  13   7.099  -0.056   7.276
   78   HG12  ILE  13          HG13      ILE  13   4.890  -1.470   8.795
   79   HG13  ILE  13          HG12      ILE  13   6.069  -0.320   9.429
   80   HG21  ILE  13          1HG2      ILE  13   5.916  -1.706   5.457
   81   HG22  ILE  13          2HG2      ILE  13   5.565   0.015   5.585
   82   HG23  ILE  13          3HG2      ILE  13   4.507  -1.161   6.364
   83   HD11  ILE  13          1HD1      ILE  13   3.803   0.689   9.046
   84   HD12  ILE  13          2HD1      ILE  13   3.998   0.362   7.324
   85   HD13  ILE  13          3HD1      ILE  13   5.089   1.484   8.136
   86    H    TYR  14           HN       TYR  14   6.487  -3.457   5.454
   87    HA   TYR  14           HA       TYR  14   5.115  -5.683   6.801
   88    HB2  TYR  14           HB2      TYR  14   3.731  -3.371   5.481
   89    HB3  TYR  14           HB3      TYR  14   3.007  -4.976   5.349
   90    HD1  TYR  14           HD1      TYR  14   3.705  -6.198   7.930
   91    HD2  TYR  14           HD2      TYR  14   2.411  -2.202   7.033
   92    HE1  TYR  14           HE1      TYR  14   2.798  -5.974  10.228
   93    HE2  TYR  14           HE2      TYR  14   1.505  -1.977   9.330
   94    HH   TYR  14           HH       TYR  14   1.867  -2.988  11.556
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1   9.867  -6.656  -1.741
    2    H2   GLY   1           HT2      GLY   1  11.011  -7.829  -2.189
    3    H3   GLY   1           HT3      GLY   1  10.255  -6.878  -3.376
    4    HA2  GLY   1           HA2      GLY   1  12.649  -6.303  -2.623
    5    HA3  GLY   1           HA1      GLY   1  11.477  -5.013  -2.893
    6    H    CYS   2           HN       CYS   2  11.783  -3.515  -1.316
    7    HA   CYS   2           HA       CYS   2  12.617  -4.332   1.396
    8    HB2  CYS   2           HB3      CYS   2  12.071  -1.663   0.066
    9    HB3  CYS   2           HB2      CYS   2  12.801  -1.870   1.656
   10    H    CYS   3           HN       CYS   3  10.653  -1.526   1.397
   11    HA   CYS   3           HA       CYS   3   8.652  -2.844   3.098
   12    HB2  CYS   3           HB3      CYS   3   8.340  -0.057   2.016
   13    HB3  CYS   3           HB2      CYS   3   7.986  -0.666   3.628
   14    HA   PRO   4           HA       PRO   4   5.581  -3.327  -0.033
   15    HB2  PRO   4           HB3      PRO   4   3.276  -2.706   1.300
   16    HB3  PRO   4           HB2      PRO   4   4.197  -4.192   1.617
   17    HG2  PRO   4           HG2      PRO   4   4.015  -1.709   3.208
   18    HG3  PRO   4           HG3      PRO   4   4.296  -3.374   3.734
   19    HD2  PRO   4           HD2      PRO   4   6.237  -1.378   3.470
   20    HD3  PRO   4           HD3      PRO   4   6.541  -3.121   3.644
   21    H    ALA   5           HN       ALA   5   5.940  -0.305   1.590
   22    HA   ALA   5           HA       ALA   5   4.190   1.518   0.576
   23    HB1  ALA   5           HB1      ALA   5   5.800   2.688   1.637
   24    HB2  ALA   5           HB2      ALA   5   6.679   2.679   0.109
   25    HB3  ALA   5           HB3      ALA   5   7.002   1.436   1.317
   26    HA   PRO   6           HA       PRO   6   7.185  -0.248  -0.176
   27    HB2  PRO   6           HB3      PRO   6   9.267  -0.623  -1.870
   28    HB3  PRO   6           HB2      PRO   6   7.823  -1.655  -1.875
   29    HG2  PRO   6           HG2      PRO   6   8.684   0.349  -3.823
   30    HG3  PRO   6           HG3      PRO   6   7.545  -0.993  -4.008
   31    HD2  PRO   6           HD2      PRO   6   6.960   1.785  -3.603
   32    HD3  PRO   6           HD3      PRO   6   5.820   0.438  -3.808
   33    H    LEU   7           HN       LEU   7   9.469   0.145   0.576
   34    HA   LEU   7           HA       LEU   7  10.478   2.894  -0.030
   35    HB2  LEU   7           HB3      LEU   7   9.077   2.019   2.297
   36    HB3  LEU   7           HB2      LEU   7  10.758   2.290   2.763
   37    HG   LEU   7           HG       LEU   7  10.705   4.544   1.893
   38   HD11  LEU   7          1HD1      LEU   7   8.385   5.340   1.012
   39   HD12  LEU   7          2HD1      LEU   7   8.076   3.626   0.754
   40   HD13  LEU   7          3HD1      LEU   7   9.418   4.411  -0.073
   41   HD21  LEU   7          1HD2      LEU   7   9.615   4.003   4.153
   42   HD22  LEU   7          2HD2      LEU   7   8.066   4.156   3.324
   43   HD23  LEU   7          3HD2      LEU   7   9.156   5.539   3.418
   44    H    THR   8           HN       THR   8  12.480   2.664   2.107
   45    HA   THR   8           HA       THR   8  14.452   1.056   0.683
   46    HB   THR   8           HB       THR   8  14.895   3.220   1.844
   47    HG1  THR   8           HG1      THR   8  16.771   2.432   2.974
   48   HG21  THR   8          1HG2      THR   8  13.350   2.768   3.762
   49   HG22  THR   8          2HG2      THR   8  14.949   3.314   4.269
   50   HG23  THR   8          3HG2      THR   8  14.523   1.607   4.380
   51    H    CYS   9           HN       CYS   9  15.588  -0.795   1.621
   52    HA   CYS   9           HA       CYS   9  13.863  -2.712   2.910
   53    HB2  CYS   9           HB3      CYS   9  16.732  -2.491   2.072
   54    HB3  CYS   9           HB2      CYS   9  16.262  -3.837   3.120
   55    H    HIS  10           HN       HIS  10  15.459  -0.072   4.215
   56    HA   HIS  10           HA       HIS  10  16.089  -1.333   6.814
   57    HB2  HIS  10           HB3      HIS  10  16.643   1.134   5.333
   58    HB3  HIS  10           HB2      HIS  10  16.211   1.457   7.015
   59    HD1  HIS  10           HD1      HIS  10  17.603  -0.068   8.826
   60    HD2  HIS  10           HD2      HIS  10  19.257   0.282   5.014
   61    HE1  HIS  10           HE1      HIS  10  20.034  -0.744   9.035
   62    H    CYS  11           HN       CYS  11  13.518   0.244   5.152
   63    HA   CYS  11           HA       CYS  11  12.038   0.962   7.612
   64    HB2  CYS  11           HB3      CYS  11  11.351   2.556   6.142
   65    HB3  CYS  11           HB2      CYS  11  12.179   1.732   4.824
   66    H    VAL  12           HN       VAL  12  11.938  -1.252   4.870
   67    HA   VAL  12           HA       VAL  12  10.180  -2.871   4.385
   68    HB   VAL  12           HB       VAL  12  12.440  -3.473   6.146
   69   HG11  VAL  12          1HG1      VAL  12  11.501  -5.951   6.302
   70   HG12  VAL  12          2HG1      VAL  12   9.940  -5.131   6.311
   71   HG13  VAL  12          3HG1      VAL  12  11.127  -4.780   7.567
   72   HG21  VAL  12          1HG2      VAL  12  11.154  -4.584   3.665
   73   HG22  VAL  12          2HG2      VAL  12  12.448  -5.468   4.475
   74   HG23  VAL  12          3HG2      VAL  12  12.743  -3.844   3.857
   75    H    ILE  13           HN       ILE  13   8.131  -2.041   5.010
   76    HA   ILE  13           HA       ILE  13   7.322  -2.473   7.854
   77    HB   ILE  13           HB       ILE  13   5.940  -1.062   5.547
   78   HG12  ILE  13          HG13      ILE  13   7.441   0.179   7.866
   79   HG13  ILE  13          HG12      ILE  13   8.205  -0.139   6.308
   80   HG21  ILE  13          1HG2      ILE  13   4.608  -0.019   7.353
   81   HG22  ILE  13          2HG2      ILE  13   5.466  -0.995   8.544
   82   HG23  ILE  13          3HG2      ILE  13   4.419  -1.772   7.356
   83   HD11  ILE  13          1HD1      ILE  13   5.593   1.311   6.299
   84   HD12  ILE  13          2HD1      ILE  13   6.975   1.482   5.217
   85   HD13  ILE  13          3HD1      ILE  13   7.023   2.199   6.828
   86    H    TYR  14           HN       TYR  14   5.157  -3.465   8.218
   87    HA   TYR  14           HA       TYR  14   4.864  -5.946   6.747
   88    HB2  TYR  14           HB2      TYR  14   3.803  -4.574   9.118
   89    HB3  TYR  14           HB3      TYR  14   2.596  -5.576   8.304
   90    HD1  TYR  14           HD1      TYR  14   5.789  -5.559  10.125
   91    HD2  TYR  14           HD2      TYR  14   2.924  -7.997   8.049
   92    HE1  TYR  14           HE1      TYR  14   6.834  -7.597  11.072
   93    HE2  TYR  14           HE2      TYR  14   3.971 -10.035   8.995
   94    HH   TYR  14           HH       TYR  14   6.964  -9.872  10.844
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1  13.354  -2.882  -3.645
    2    H2   GLY   1           HT2      GLY   1  12.330  -2.614  -4.975
    3    H3   GLY   1           HT3      GLY   1  12.213  -4.058  -4.087
    4    HA2  GLY   1           HA2      GLY   1  11.759  -1.435  -2.806
    5    HA3  GLY   1           HA1      GLY   1  10.462  -2.277  -3.657
    6    H    CYS   2           HN       CYS   2  11.888  -1.921  -0.666
    7    HA   CYS   2           HA       CYS   2  11.440  -4.687   0.262
    8    HB2  CYS   2           HB3      CYS   2  12.953  -2.375   1.014
    9    HB3  CYS   2           HB2      CYS   2  11.924  -2.833   2.377
   10    H    CYS   3           HN       CYS   3  10.415  -1.630   1.785
   11    HA   CYS   3           HA       CYS   3   8.090  -2.755   3.020
   12    HB2  CYS   3           HB3      CYS   3   8.294   0.135   2.144
   13    HB3  CYS   3           HB2      CYS   3   7.568  -0.512   3.610
   14    HA   PRO   4           HA       PRO   4   5.167  -2.771  -0.282
   15    HB2  PRO   4           HB3      PRO   4   2.878  -1.849   0.911
   16    HB3  PRO   4           HB2      PRO   4   3.544  -3.466   1.228
   17    HG2  PRO   4           HG2      PRO   4   3.714  -0.994   2.869
   18    HG3  PRO   4           HG3      PRO   4   3.541  -2.680   3.379
   19    HD2  PRO   4           HD2      PRO   4   5.898  -1.284   3.451
   20    HD3  PRO   4           HD3      PRO   4   5.795  -3.056   3.333
   21    H    ALA   5           HN       ALA   5   6.004   0.101   1.365
   22    HA   ALA   5           HA       ALA   5   4.553   2.192   0.337
   23    HB1  ALA   5           HB1      ALA   5   7.337   1.672   1.133
   24    HB2  ALA   5           HB2      ALA   5   6.245   2.961   1.639
   25    HB3  ALA   5           HB3      ALA   5   7.121   3.094   0.115
   26    HA   PRO   6           HA       PRO   6   7.373   0.102  -0.265
   27    HB2  PRO   6           HB3      PRO   6   9.490  -0.500  -1.855
   28    HB3  PRO   6           HB2      PRO   6   7.941  -1.357  -1.962
   29    HG2  PRO   6           HG2      PRO   6   9.135   0.565  -3.815
   30    HG3  PRO   6           HG3      PRO   6   7.871  -0.641  -4.095
   31    HD2  PRO   6           HD2      PRO   6   7.567   2.177  -3.673
   32    HD3  PRO   6           HD3      PRO   6   6.300   0.965  -3.961
   33    H    LEU   7           HN       LEU   7   9.488   0.375   0.816
   34    HA   LEU   7           HA       LEU   7  10.922   2.899   0.100
   35    HB2  LEU   7           HB3      LEU   7   9.119   2.492   2.258
   36    HB3  LEU   7           HB2      LEU   7  10.739   2.578   2.954
   37    HG   LEU   7           HG       LEU   7  11.165   4.698   1.888
   38   HD11  LEU   7          1HD1      LEU   7  10.218   4.604  -0.237
   39   HD12  LEU   7          2HD1      LEU   7   9.081   5.673   0.583
   40   HD13  LEU   7          3HD1      LEU   7   8.690   3.971   0.364
   41   HD21  LEU   7          1HD2      LEU   7   8.898   5.915   2.658
   42   HD22  LEU   7          2HD2      LEU   7  10.053   5.273   3.826
   43   HD23  LEU   7          3HD2      LEU   7   8.617   4.341   3.403
   44    H    THR   8           HN       THR   8  13.000   3.025   1.509
   45    HA   THR   8           HA       THR   8  14.868   1.127   0.929
   46    HB   THR   8           HB       THR   8  15.196   3.286   2.133
   47    HG1  THR   8           HG1      THR   8  16.309   0.883   3.058
   48   HG21  THR   8          1HG2      THR   8  14.492   1.775   4.648
   49   HG22  THR   8          2HG2      THR   8  13.297   2.736   3.777
   50   HG23  THR   8          3HG2      THR   8  14.733   3.510   4.448
   51    H    CYS   9           HN       CYS   9  15.824  -0.690   2.132
   52    HA   CYS   9           HA       CYS   9  13.826  -2.515   3.189
   53    HB2  CYS   9           HB3      CYS   9  16.788  -2.486   2.695
   54    HB3  CYS   9           HB2      CYS   9  16.089  -3.795   3.653
   55    H    HIS  10           HN       HIS  10  15.341   0.084   4.590
   56    HA   HIS  10           HA       HIS  10  15.779  -1.138   7.247
   57    HB2  HIS  10           HB3      HIS  10  16.396   1.343   5.786
   58    HB3  HIS  10           HB2      HIS  10  15.943   1.621   7.470
   59    HD1  HIS  10           HD1      HIS  10  18.606   2.291   7.610
   60    HD2  HIS  10           HD2      HIS  10  17.715  -1.752   7.122
   61    HE1  HIS  10           HE1      HIS  10  20.693   1.013   8.263
   62    H    CYS  11           HN       CYS  11  13.291   0.323   5.405
   63    HA   CYS  11           HA       CYS  11  11.711   1.209   7.740
   64    HB2  CYS  11           HB3      CYS  11  11.133   2.678   6.103
   65    HB3  CYS  11           HB2      CYS  11  11.924   1.693   4.877
   66    H    VAL  12           HN       VAL  12  11.940  -1.381   5.405
   67    HA   VAL  12           HA       VAL  12  10.267  -3.107   4.940
   68    HB   VAL  12           HB       VAL  12  12.391  -3.774   6.092
   69   HG11  VAL  12          1HG1      VAL  12  12.639  -3.565   8.325
   70   HG12  VAL  12          2HG1      VAL  12  11.102  -4.372   8.635
   71   HG13  VAL  12          3HG1      VAL  12  11.139  -2.637   8.319
   72   HG21  VAL  12          1HG2      VAL  12  11.475  -5.791   5.647
   73   HG22  VAL  12          2HG2      VAL  12   9.854  -5.208   6.024
   74   HG23  VAL  12          3HG2      VAL  12  10.899  -5.803   7.314
   75    H    ILE  13           HN       ILE  13   8.149  -1.991   5.221
   76    HA   ILE  13           HA       ILE  13   6.977  -2.109   7.946
   77    HB   ILE  13           HB       ILE  13   6.021  -1.195   5.226
   78   HG12  ILE  13          HG13      ILE  13   7.642   0.272   6.299
   79   HG13  ILE  13          HG12      ILE  13   6.049   1.025   6.378
   80   HG21  ILE  13          1HG2      ILE  13   4.339  -0.251   7.325
   81   HG22  ILE  13          2HG2      ILE  13   4.449  -2.005   7.474
   82   HG23  ILE  13          3HG2      ILE  13   3.898  -1.280   5.963
   83   HD11  ILE  13          1HD1      ILE  13   6.905   1.275   8.567
   84   HD12  ILE  13          2HD1      ILE  13   7.586  -0.353   8.577
   85   HD13  ILE  13          3HD1      ILE  13   5.840  -0.127   8.684
   86    H    TYR  14           HN       TYR  14   7.488  -4.602   7.637
   87    HA   TYR  14           HA       TYR  14   6.690  -6.792   7.220
   88    HB2  TYR  14           HB2      TYR  14   4.770  -5.042   8.519
   89    HB3  TYR  14           HB3      TYR  14   3.942  -6.329   7.634
   90    HD1  TYR  14           HD1      TYR  14   7.038  -5.962   9.740
   91    HD2  TYR  14           HD2      TYR  14   3.530  -8.273   8.838
   92    HE1  TYR  14           HE1      TYR  14   7.645  -7.578  11.518
   93    HE2  TYR  14           HE2      TYR  14   4.138  -9.889  10.618
   94    HH   TYR  14           HH       TYR  14   7.228  -9.755  12.241
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1  12.848  -8.987  -0.003
    2    H2   GLY   1           HT2      GLY   1  13.413  -7.846   1.123
    3    H3   GLY   1           HT3      GLY   1  13.272  -7.426  -0.517
    4    HA2  GLY   1           HA2      GLY   1  10.994  -7.268  -0.450
    5    HA3  GLY   1           HA1      GLY   1  10.891  -8.314   0.968
    6    H    CYS   2           HN       CYS   2  11.883  -5.072  -0.102
    7    HA   CYS   2           HA       CYS   2  12.386  -4.040   2.548
    8    HB2  CYS   2           HB3      CYS   2  11.524  -2.538   0.059
    9    HB3  CYS   2           HB2      CYS   2  12.531  -1.939   1.378
   10    H    CYS   3           HN       CYS   3  10.459  -1.657   1.644
   11    HA   CYS   3           HA       CYS   3   8.200  -2.615   3.311
   12    HB2  CYS   3           HB3      CYS   3   8.252   0.118   2.098
   13    HB3  CYS   3           HB2      CYS   3   7.811  -0.372   3.730
   14    HA   PRO   4           HA       PRO   4   5.466  -3.126  -0.104
   15    HB2  PRO   4           HB3      PRO   4   3.081  -2.369   1.001
   16    HB3  PRO   4           HB2      PRO   4   3.897  -3.888   1.428
   17    HG2  PRO   4           HG2      PRO   4   3.752  -1.332   2.926
   18    HG3  PRO   4           HG3      PRO   4   3.799  -2.995   3.526
   19    HD2  PRO   4           HD2      PRO   4   5.954  -1.263   3.490
   20    HD3  PRO   4           HD3      PRO   4   6.073  -3.036   3.579
   21    H    ALA   5           HN       ALA   5   5.819  -0.079   1.473
   22    HA   ALA   5           HA       ALA   5   4.250   1.794   0.301
   23    HB1  ALA   5           HB1      ALA   5   6.689   2.957  -0.015
   24    HB2  ALA   5           HB2      ALA   5   7.107   1.597   1.029
   25    HB3  ALA   5           HB3      ALA   5   5.891   2.766   1.545
   26    HA   PRO   6           HA       PRO   6   7.154  -0.184  -0.259
   27    HB2  PRO   6           HB3      PRO   6   9.252  -0.795  -1.863
   28    HB3  PRO   6           HB2      PRO   6   7.733  -1.714  -1.872
   29    HG2  PRO   6           HG2      PRO   6   8.809   0.134  -3.869
   30    HG3  PRO   6           HG3      PRO   6   7.580  -1.127  -4.043
   31    HD2  PRO   6           HD2      PRO   6   7.189   1.698  -3.782
   32    HD3  PRO   6           HD3      PRO   6   5.959   0.428  -3.958
   33    H    LEU   7           HN       LEU   7   9.363   0.121   0.644
   34    HA   LEU   7           HA       LEU   7  10.640   2.724  -0.097
   35    HB2  LEU   7           HB3      LEU   7   9.042   2.131   2.192
   36    HB3  LEU   7           HB2      LEU   7  10.709   2.312   2.742
   37    HG   LEU   7           HG       LEU   7  10.889   4.489   1.732
   38   HD11  LEU   7          1HD1      LEU   7   8.645   5.347   0.629
   39   HD12  LEU   7          2HD1      LEU   7   8.358   3.627   0.376
   40   HD13  LEU   7          3HD1      LEU   7   9.787   4.391  -0.316
   41   HD21  LEU   7          1HD2      LEU   7   9.836   4.645   3.868
   42   HD22  LEU   7          2HD2      LEU   7   8.301   4.043   3.239
   43   HD23  LEU   7          3HD2      LEU   7   8.863   5.656   2.799
   44    H    THR   8           HN       THR   8  12.815   2.835   1.321
   45    HA   THR   8           HA       THR   8  14.638   0.931   0.479
   46    HB   THR   8           HB       THR   8  14.970   3.119   1.761
   47    HG1  THR   8           HG1      THR   8  16.790   2.008   1.401
   48   HG21  THR   8          1HG2      THR   8  15.285   1.862   4.326
   49   HG22  THR   8          2HG2      THR   8  13.636   1.615   3.758
   50   HG23  THR   8          3HG2      THR   8  14.284   3.249   3.895
   51    H    CYS   9           HN       CYS   9  15.636  -0.931   1.605
   52    HA   CYS   9           HA       CYS   9  13.639  -2.694   2.780
   53    HB2  CYS   9           HB3      CYS   9  16.336  -2.780   1.674
   54    HB3  CYS   9           HB2      CYS   9  16.170  -3.827   3.089
   55    H    HIS  10           HN       HIS  10  15.359  -0.198   4.131
   56    HA   HIS  10           HA       HIS  10  15.968  -1.533   6.706
   57    HB2  HIS  10           HB3      HIS  10  17.381   0.261   5.570
   58    HB3  HIS  10           HB2      HIS  10  16.083   1.402   5.939
   59    HD1  HIS  10           HD1      HIS  10  18.816  -0.593   7.539
   60    HD2  HIS  10           HD2      HIS  10  15.786   2.013   8.721
   61    HE1  HIS  10           HE1      HIS  10  19.296   0.016   9.950
   62    H    CYS  11           HN       CYS  11  13.419   0.179   5.157
   63    HA   CYS  11           HA       CYS  11  12.121   1.021   7.676
   64    HB2  CYS  11           HB3      CYS  11  11.399   2.608   6.227
   65    HB3  CYS  11           HB2      CYS  11  12.158   1.748   4.892
   66    H    VAL  12           HN       VAL  12  11.687  -1.280   5.035
   67    HA   VAL  12           HA       VAL  12   9.894  -2.854   4.715
   68    HB   VAL  12           HB       VAL  12  12.078  -3.732   5.758
   69   HG11  VAL  12          1HG1      VAL  12  11.256  -2.822   8.083
   70   HG12  VAL  12          2HG1      VAL  12  12.127  -4.355   8.010
   71   HG13  VAL  12          3HG1      VAL  12  10.368  -4.344   8.153
   72   HG21  VAL  12          1HG2      VAL  12  11.028  -5.983   6.171
   73   HG22  VAL  12          2HG2      VAL  12  10.515  -5.222   4.664
   74   HG23  VAL  12          3HG2      VAL  12   9.448  -5.207   6.069
   75    H    ILE  13           HN       ILE  13   7.835  -1.927   5.093
   76    HA   ILE  13           HA       ILE  13   6.920  -1.617   7.894
   77    HB   ILE  13           HB       ILE  13   5.486  -1.226   5.248
   78   HG12  ILE  13          HG13      ILE  13   7.585   0.128   5.505
   79   HG13  ILE  13          HG12      ILE  13   6.127   1.119   5.444
   80   HG21  ILE  13          1HG2      ILE  13   3.992   0.211   6.558
   81   HG22  ILE  13          2HG2      ILE  13   4.926  -0.123   8.016
   82   HG23  ILE  13          3HG2      ILE  13   4.015  -1.417   7.238
   83   HD11  ILE  13          1HD1      ILE  13   6.509   0.422   8.164
   84   HD12  ILE  13          2HD1      ILE  13   6.703   2.013   7.428
   85   HD13  ILE  13          3HD1      ILE  13   8.085   0.923   7.552
   86    H    TYR  14           HN       TYR  14   7.236  -4.197   5.867
   87    HA   TYR  14           HA       TYR  14   5.589  -5.943   7.413
   88    HB2  TYR  14           HB2      TYR  14   3.841  -4.560   6.231
   89    HB3  TYR  14           HB3      TYR  14   4.465  -5.172   4.697
   90    HD1  TYR  14           HD1      TYR  14   3.550  -7.126   3.804
   91    HD2  TYR  14           HD2      TYR  14   3.264  -6.410   8.031
   92    HE1  TYR  14           HE1      TYR  14   2.171  -9.173   4.059
   93    HE2  TYR  14           HE2      TYR  14   1.885  -8.456   8.284
   94    HH   TYR  14           HH       TYR  14   0.303  -9.902   5.960
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1  10.576  -2.866  -4.179
    2    H2   GLY   1           HT2      GLY   1  12.019  -2.193  -4.776
    3    H3   GLY   1           HT3      GLY   1  10.583  -1.284  -4.792
    4    HA2  GLY   1           HA2      GLY   1  12.477  -1.121  -2.888
    5    HA3  GLY   1           HA1      GLY   1  10.792  -0.645  -2.675
    6    H    CYS   2           HN       CYS   2  12.166  -1.508  -0.454
    7    HA   CYS   2           HA       CYS   2  11.662  -4.382  -0.039
    8    HB2  CYS   2           HB3      CYS   2  13.344  -2.356   0.987
    9    HB3  CYS   2           HB2      CYS   2  12.309  -2.864   2.327
   10    H    CYS   3           HN       CYS   3  10.637  -1.421   1.700
   11    HA   CYS   3           HA       CYS   3   8.548  -2.668   3.206
   12    HB2  CYS   3           HB3      CYS   3   8.342   0.164   2.171
   13    HB3  CYS   3           HB2      CYS   3   7.882  -0.463   3.748
   14    HA   PRO   4           HA       PRO   4   5.349  -3.056   0.186
   15    HB2  PRO   4           HB3      PRO   4   3.099  -2.278   1.544
   16    HB3  PRO   4           HB2      PRO   4   3.927  -3.817   1.861
   17    HG2  PRO   4           HG2      PRO   4   4.009  -1.273   3.392
   18    HG3  PRO   4           HG3      PRO   4   4.043  -2.944   3.973
   19    HD2  PRO   4           HD2      PRO   4   6.256  -1.326   3.778
   20    HD3  PRO   4           HD3      PRO   4   6.309  -3.102   3.762
   21    H    ALA   5           HN       ALA   5   6.121  -0.074   1.647
   22    HA   ALA   5           HA       ALA   5   4.425   1.870   0.691
   23    HB1  ALA   5           HB1      ALA   5   7.362   1.610   1.128
   24    HB2  ALA   5           HB2      ALA   5   6.195   2.656   1.936
   25    HB3  ALA   5           HB3      ALA   5   6.783   3.071   0.326
   26    HA   PRO   6           HA       PRO   6   7.222  -0.177  -0.111
   27    HB2  PRO   6           HB3      PRO   6   9.105  -0.934  -1.918
   28    HB3  PRO   6           HB2      PRO   6   7.518  -1.722  -1.807
   29    HG2  PRO   6           HG2      PRO   6   8.566   0.043  -3.877
   30    HG3  PRO   6           HG3      PRO   6   7.182  -1.061  -3.927
   31    HD2  PRO   6           HD2      PRO   6   7.194   1.801  -3.541
   32    HD3  PRO   6           HD3      PRO   6   5.804   0.709  -3.721
   33    H    LEU   7           HN       LEU   7   9.453   0.027   0.709
   34    HA   LEU   7           HA       LEU   7  10.922   2.445  -0.262
   35    HB2  LEU   7           HB3      LEU   7   9.328   2.211   2.102
   36    HB3  LEU   7           HB2      LEU   7  11.022   2.344   2.584
   37    HG   LEU   7           HG       LEU   7  11.298   4.355   1.241
   38   HD11  LEU   7          1HD1      LEU   7   9.018   5.291   0.305
   39   HD12  LEU   7          2HD1      LEU   7   8.552   3.591   0.308
   40   HD13  LEU   7          3HD1      LEU   7   9.942   4.121  -0.637
   41   HD21  LEU   7          1HD2      LEU   7  10.573   5.375   3.121
   42   HD22  LEU   7          2HD2      LEU   7   9.384   4.106   3.417
   43   HD23  LEU   7          3HD2      LEU   7   8.981   5.467   2.367
   44    H    THR   8           HN       THR   8  12.952   2.500   1.556
   45    HA   THR   8           HA       THR   8  14.757   0.496   0.754
   46    HB   THR   8           HB       THR   8  15.333   2.660   1.786
   47    HG1  THR   8           HG1      THR   8  17.070   1.591   2.220
   48   HG21  THR   8          1HG2      THR   8  13.389   2.425   3.481
   49   HG22  THR   8          2HG2      THR   8  14.880   3.183   4.043
   50   HG23  THR   8          3HG2      THR   8  14.538   1.504   4.450
   51    H    CYS   9           HN       CYS   9  15.841  -1.099   2.325
   52    HA   CYS   9           HA       CYS   9  13.819  -2.931   3.391
   53    HB2  CYS   9           HB3      CYS   9  16.846  -2.894   3.229
   54    HB3  CYS   9           HB2      CYS   9  15.932  -4.257   3.881
   55    H    HIS  10           HN       HIS  10  15.292  -0.203   4.621
   56    HA   HIS  10           HA       HIS  10  15.596  -1.194   7.393
   57    HB2  HIS  10           HB3      HIS  10  17.217   0.396   6.563
   58    HB3  HIS  10           HB2      HIS  10  15.940   1.470   5.982
   59    HD1  HIS  10           HD1      HIS  10  17.761   0.440   9.078
   60    HD2  HIS  10           HD2      HIS  10  14.596   2.947   8.039
   61    HE1  HIS  10           HE1      HIS  10  17.289   1.876  11.110
   62    H    CYS  11           HN       CYS  11  13.343   0.503   5.351
   63    HA   CYS  11           HA       CYS  11  11.659   1.388   7.609
   64    HB2  CYS  11           HB3      CYS  11  11.260   2.997   6.058
   65    HB3  CYS  11           HB2      CYS  11  12.185   2.097   4.863
   66    H    VAL  12           HN       VAL  12  12.094  -1.329   5.603
   67    HA   VAL  12           HA       VAL  12   9.989  -2.608   4.751
   68    HB   VAL  12           HB       VAL  12  12.187  -3.340   6.514
   69   HG11  VAL  12          1HG1      VAL  12  11.125  -5.700   6.894
   70   HG12  VAL  12          2HG1      VAL  12   9.589  -4.842   6.778
   71   HG13  VAL  12          3HG1      VAL  12  10.749  -4.409   8.034
   72   HG21  VAL  12          1HG2      VAL  12  10.747  -4.480   4.133
   73   HG22  VAL  12          2HG2      VAL  12  11.996  -5.413   4.957
   74   HG23  VAL  12          3HG2      VAL  12  12.392  -3.852   4.236
   75    H    ILE  13           HN       ILE  13   7.922  -1.890   5.251
   76    HA   ILE  13           HA       ILE  13   7.039  -1.779   8.074
   77    HB   ILE  13           HB       ILE  13   5.468  -1.383   5.514
   78   HG12  ILE  13          HG13      ILE  13   7.050   0.672   7.091
   79   HG13  ILE  13          HG12      ILE  13   7.558  -0.008   5.545
   80   HG21  ILE  13          1HG2      ILE  13   5.110  -0.659   8.412
   81   HG22  ILE  13          2HG2      ILE  13   3.952  -1.390   7.302
   82   HG23  ILE  13          3HG2      ILE  13   4.353   0.321   7.157
   83   HD11  ILE  13          1HD1      ILE  13   5.388   0.806   4.560
   84   HD12  ILE  13          2HD1      ILE  13   6.461   2.099   5.098
   85   HD13  ILE  13          3HD1      ILE  13   5.073   1.637   6.083
   86    H    TYR  14           HN       TYR  14   7.326  -4.213   5.798
   87    HA   TYR  14           HA       TYR  14   4.901  -5.642   5.845
   88    HB2  TYR  14           HB2      TYR  14   7.546  -5.985   5.016
   89    HB3  TYR  14           HB3      TYR  14   7.275  -7.315   6.147
   90    HD1  TYR  14           HD1      TYR  14   6.029  -9.202   5.502
   91    HD2  TYR  14           HD2      TYR  14   5.780  -5.599   3.180
   92    HE1  TYR  14           HE1      TYR  14   4.706 -10.403   3.783
   93    HE2  TYR  14           HE2      TYR  14   4.456  -6.798   1.460
   94    HH   TYR  14           HH       TYR  14   3.974 -10.282   1.614
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1  11.818  -3.196  -3.943
    2    H2   GLY   1           HT2      GLY   1  12.050  -4.879  -3.935
    3    H3   GLY   1           HT3      GLY   1  12.386  -3.965  -2.543
    4    HA2  GLY   1           HA2      GLY   1   9.797  -3.338  -3.057
    5    HA3  GLY   1           HA1      GLY   1   9.898  -5.052  -3.461
    6    H    CYS   2           HN       CYS   2  11.458  -3.022  -0.949
    7    HA   CYS   2           HA       CYS   2  11.243  -5.153   1.018
    8    HB2  CYS   2           HB3      CYS   2  11.899  -2.214   1.370
    9    HB3  CYS   2           HB2      CYS   2  12.372  -3.545   2.429
   10    H    CYS   3           HN       CYS   3  10.170  -1.827   1.697
   11    HA   CYS   3           HA       CYS   3   7.944  -2.756   3.309
   12    HB2  CYS   3           HB3      CYS   3   8.060  -0.001   2.089
   13    HB3  CYS   3           HB2      CYS   3   7.563  -0.472   3.710
   14    HA   PRO   4           HA       PRO   4   4.802  -2.938   0.213
   15    HB2  PRO   4           HB3      PRO   4   2.664  -1.616   1.287
   16    HB3  PRO   4           HB2      PRO   4   3.226  -3.190   1.888
   17    HG2  PRO   4           HG2      PRO   4   3.563  -0.497   3.049
   18    HG3  PRO   4           HG3      PRO   4   3.457  -2.070   3.850
   19    HD2  PRO   4           HD2      PRO   4   5.791  -0.605   3.384
   20    HD3  PRO   4           HD3      PRO   4   5.705  -2.318   3.857
   21    H    ALA   5           HN       ALA   5   6.155   0.029   1.021
   22    HA   ALA   5           HA       ALA   5   4.614   1.926  -0.430
   23    HB1  ALA   5           HB1      ALA   5   7.193   2.810  -0.588
   24    HB2  ALA   5           HB2      ALA   5   7.311   1.636   0.723
   25    HB3  ALA   5           HB3      ALA   5   6.176   2.981   0.841
   26    HA   PRO   6           HA       PRO   6   7.471  -0.191  -0.283
   27    HB2  PRO   6           HB3      PRO   6   9.735  -1.086  -1.481
   28    HB3  PRO   6           HB2      PRO   6   8.202  -1.977  -1.540
   29    HG2  PRO   6           HG2      PRO   6   9.584  -0.510  -3.658
   30    HG3  PRO   6           HG3      PRO   6   8.327  -1.751  -3.777
   31    HD2  PRO   6           HD2      PRO   6   8.043   1.098  -4.010
   32    HD3  PRO   6           HD3      PRO   6   6.793  -0.154  -4.175
   33    H    LEU   7           HN       LEU   7   9.430   0.313   0.905
   34    HA   LEU   7           HA       LEU   7  10.762   2.853   0.018
   35    HB2  LEU   7           HB3      LEU   7   9.255   2.044   2.366
   36    HB3  LEU   7           HB2      LEU   7  10.878   2.568   2.819
   37    HG   LEU   7           HG       LEU   7  10.564   4.683   1.630
   38   HD11  LEU   7          1HD1      LEU   7   8.815   5.109   0.203
   39   HD12  LEU   7          2HD1      LEU   7   7.683   4.127   1.134
   40   HD13  LEU   7          3HD1      LEU   7   8.838   3.356   0.050
   41   HD21  LEU   7          1HD2      LEU   7   9.536   4.142   4.009
   42   HD22  LEU   7          2HD2      LEU   7   8.003   4.353   3.162
   43   HD23  LEU   7          3HD2      LEU   7   9.172   5.674   3.215
   44    H    THR   8           HN       THR   8  12.906   3.028   1.541
   45    HA   THR   8           HA       THR   8  14.830   1.215   0.700
   46    HB   THR   8           HB       THR   8  15.215   3.326   1.947
   47    HG1  THR   8           HG1      THR   8  16.406   1.472   3.616
   48   HG21  THR   8          1HG2      THR   8  13.716   1.820   4.000
   49   HG22  THR   8          2HG2      THR   8  13.828   3.560   3.736
   50   HG23  THR   8          3HG2      THR   8  15.112   2.715   4.602
   51    H    CYS   9           HN       CYS   9  15.814  -0.685   1.771
   52    HA   CYS   9           HA       CYS   9  13.821  -2.491   2.858
   53    HB2  CYS   9           HB3      CYS   9  16.458  -2.556   1.736
   54    HB3  CYS   9           HB2      CYS   9  16.462  -3.468   3.252
   55    H    HIS  10           HN       HIS  10  15.430   0.012   4.299
   56    HA   HIS  10           HA       HIS  10  15.922  -1.327   6.890
   57    HB2  HIS  10           HB3      HIS  10  16.990   0.840   5.520
   58    HB3  HIS  10           HB2      HIS  10  15.970   1.612   6.738
   59    HD1  HIS  10           HD1      HIS  10  16.340   0.504   9.274
   60    HD2  HIS  10           HD2      HIS  10  19.456   0.127   6.531
   61    HE1  HIS  10           HE1      HIS  10  18.416  -0.038  10.619
   62    H    CYS  11           HN       CYS  11  13.362   0.140   5.177
   63    HA   CYS  11           HA       CYS  11  11.922   1.073   7.586
   64    HB2  CYS  11           HB3      CYS  11  11.278   2.533   5.966
   65    HB3  CYS  11           HB2      CYS  11  11.980   1.520   4.709
   66    H    VAL  12           HN       VAL  12  11.669  -1.342   5.018
   67    HA   VAL  12           HA       VAL  12  10.037  -3.096   4.773
   68    HB   VAL  12           HB       VAL  12  12.259  -3.792   5.745
   69   HG11  VAL  12          1HG1      VAL  12  10.877  -4.237   8.359
   70   HG12  VAL  12          2HG1      VAL  12  11.501  -2.624   8.018
   71   HG13  VAL  12          3HG1      VAL  12  12.592  -4.008   8.023
   72   HG21  VAL  12          1HG2      VAL  12   9.992  -5.480   6.814
   73   HG22  VAL  12          2HG2      VAL  12  11.545  -6.020   6.176
   74   HG23  VAL  12          3HG2      VAL  12  10.328  -5.354   5.087
   75    H    ILE  13           HN       ILE  13   8.011  -1.891   5.261
   76    HA   ILE  13           HA       ILE  13   7.053  -1.991   8.060
   77    HB   ILE  13           HB       ILE  13   5.901  -1.024   5.427
   78   HG12  ILE  13          HG13      ILE  13   7.807   0.244   6.463
   79   HG13  ILE  13          HG12      ILE  13   6.319   1.183   6.351
   80   HG21  ILE  13          1HG2      ILE  13   3.880  -1.084   6.430
   81   HG22  ILE  13          2HG2      ILE  13   4.490   0.111   7.575
   82   HG23  ILE  13          3HG2      ILE  13   4.596  -1.608   7.954
   83   HD11  ILE  13          1HD1      ILE  13   7.819   0.787   8.656
   84   HD12  ILE  13          2HD1      ILE  13   6.488  -0.356   8.830
   85   HD13  ILE  13          3HD1      ILE  13   6.152   1.360   8.598
   86    H    TYR  14           HN       TYR  14   7.546  -4.556   7.255
   87    HA   TYR  14           HA       TYR  14   6.521  -6.670   7.104
   88    HB2  TYR  14           HB2      TYR  14   5.023  -5.082   8.728
   89    HB3  TYR  14           HB3      TYR  14   3.826  -5.477   7.490
   90    HD1  TYR  14           HD1      TYR  14   5.406  -6.595  10.470
   91    HD2  TYR  14           HD2      TYR  14   3.690  -8.006   6.793
   92    HE1  TYR  14           HE1      TYR  14   5.110  -8.844  11.473
   93    HE2  TYR  14           HE2      TYR  14   3.392 -10.255   7.797
   94    HH   TYR  14           HH       TYR  14   3.528 -10.850  11.044
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1  10.024  -3.821  -4.356
    2    H2   GLY   1           HT2      GLY   1   9.999  -2.215  -4.912
    3    H3   GLY   1           HT3      GLY   1   9.073  -2.663  -3.560
    4    HA2  GLY   1           HA2      GLY   1  12.041  -2.718  -3.685
    5    HA3  GLY   1           HA1      GLY   1  11.085  -1.446  -2.922
    6    H    CYS   2           HN       CYS   2  11.997  -1.959  -0.840
    7    HA   CYS   2           HA       CYS   2  11.692  -4.636   0.291
    8    HB2  CYS   2           HB3      CYS   2  12.313  -1.992   1.634
    9    HB3  CYS   2           HB2      CYS   2  12.747  -3.605   2.204
   10    H    CYS   3           HN       CYS   3  10.503  -1.535   1.608
   11    HA   CYS   3           HA       CYS   3   8.332  -2.745   3.070
   12    HB2  CYS   3           HB3      CYS   3   8.275   0.095   2.038
   13    HB3  CYS   3           HB2      CYS   3   7.732  -0.519   3.595
   14    HA   PRO   4           HA       PRO   4   5.219  -2.893  -0.072
   15    HB2  PRO   4           HB3      PRO   4   2.967  -1.992   1.191
   16    HB3  PRO   4           HB2      PRO   4   3.718  -3.559   1.564
   17    HG2  PRO   4           HG2      PRO   4   3.741  -1.047   3.102
   18    HG3  PRO   4           HG3      PRO   4   3.891  -2.719   3.658
   19    HD2  PRO   4           HD2      PRO   4   5.972  -0.855   3.335
   20    HD3  PRO   4           HD3      PRO   4   6.145  -2.597   3.642
   21    H    ALA   5           HN       ALA   5   6.224   0.064   1.183
   22    HA   ALA   5           HA       ALA   5   4.489   1.981   0.033
   23    HB1  ALA   5           HB1      ALA   5   7.249   1.798   1.063
   24    HB2  ALA   5           HB2      ALA   5   5.985   2.972   1.433
   25    HB3  ALA   5           HB3      ALA   5   6.948   3.145  -0.036
   26    HA   PRO   6           HA       PRO   6   7.484   0.064  -0.202
   27    HB2  PRO   6           HB3      PRO   6   9.756  -0.497  -1.573
   28    HB3  PRO   6           HB2      PRO   6   8.271  -1.453  -1.742
   29    HG2  PRO   6           HG2      PRO   6   9.507   0.410  -3.625
   30    HG3  PRO   6           HG3      PRO   6   8.326  -0.875  -3.916
   31    HD2  PRO   6           HD2      PRO   6   7.860   1.949  -3.697
   32    HD3  PRO   6           HD3      PRO   6   6.683   0.657  -4.019
   33    H    LEU   7           HN       LEU   7   9.653   0.402   0.869
   34    HA   LEU   7           HA       LEU   7  10.824   3.100   0.302
   35    HB2  LEU   7           HB3      LEU   7   9.155   2.296   2.473
   36    HB3  LEU   7           HB2      LEU   7  10.778   2.557   3.116
   37    HG   LEU   7           HG       LEU   7  10.865   4.781   2.153
   38   HD11  LEU   7          1HD1      LEU   7   9.779   4.834   0.135
   39   HD12  LEU   7          2HD1      LEU   7   8.452   5.443   1.126
   40   HD13  LEU   7          3HD1      LEU   7   8.511   3.740   0.678
   41   HD21  LEU   7          1HD2      LEU   7   9.785   5.410   4.034
   42   HD22  LEU   7          2HD2      LEU   7   8.811   3.940   4.021
   43   HD23  LEU   7          3HD2      LEU   7   8.278   5.357   3.118
   44    H    THR   8           HN       THR   8  12.882   3.282   1.867
   45    HA   THR   8           HA       THR   8  14.919   1.611   1.050
   46    HB   THR   8           HB       THR   8  15.168   3.658   2.404
   47    HG1  THR   8           HG1      THR   8  16.366   1.260   3.063
   48   HG21  THR   8          1HG2      THR   8  14.291   1.976   4.763
   49   HG22  THR   8          2HG2      THR   8  13.220   3.092   3.917
   50   HG23  THR   8          3HG2      THR   8  14.648   3.703   4.752
   51    H    CYS   9           HN       CYS   9  15.972  -0.269   2.036
   52    HA   CYS   9           HA       CYS   9  14.103  -2.293   2.932
   53    HB2  CYS   9           HB3      CYS   9  16.852  -2.029   2.033
   54    HB3  CYS   9           HB2      CYS   9  16.732  -3.157   3.389
   55    H    HIS  10           HN       HIS  10  15.479   0.237   4.597
   56    HA   HIS  10           HA       HIS  10  15.946  -1.241   7.122
   57    HB2  HIS  10           HB3      HIS  10  17.242   0.806   6.162
   58    HB3  HIS  10           HB2      HIS  10  15.856   1.755   6.712
   59    HD1  HIS  10           HD1      HIS  10  15.517  -0.371   9.236
   60    HD2  HIS  10           HD2      HIS  10  18.797   2.024   8.291
   61    HE1  HIS  10           HE1      HIS  10  16.833  -0.078  11.381
   62    H    CYS  11           HN       CYS  11  13.386   0.247   5.409
   63    HA   CYS  11           HA       CYS  11  11.803   0.895   7.821
   64    HB2  CYS  11           HB3      CYS  11  11.134   2.459   6.314
   65    HB3  CYS  11           HB2      CYS  11  11.956   1.612   5.009
   66    H    VAL  12           HN       VAL  12  11.754  -1.296   5.048
   67    HA   VAL  12           HA       VAL  12  10.155  -3.027   4.568
   68    HB   VAL  12           HB       VAL  12  12.436  -3.650   5.712
   69   HG11  VAL  12          1HG1      VAL  12  11.285  -3.295   8.032
   70   HG12  VAL  12          2HG1      VAL  12  12.357  -4.680   7.814
   71   HG13  VAL  12          3HG1      VAL  12  10.608  -4.899   7.748
   72   HG21  VAL  12          1HG2      VAL  12  10.700  -5.035   4.291
   73   HG22  VAL  12          2HG2      VAL  12  10.387  -5.834   5.833
   74   HG23  VAL  12          3HG2      VAL  12  12.009  -5.858   5.139
   75    H    ILE  13           HN       ILE  13   8.059  -2.115   5.018
   76    HA   ILE  13           HA       ILE  13   7.034  -2.338   7.789
   77    HB   ILE  13           HB       ILE  13   6.125  -1.198   5.165
   78   HG12  ILE  13          HG13      ILE  13   6.345  -0.168   8.006
   79   HG13  ILE  13          HG12      ILE  13   7.443   0.190   6.673
   80   HG21  ILE  13          1HG2      ILE  13   3.996  -0.611   6.711
   81   HG22  ILE  13          2HG2      ILE  13   4.382  -2.205   7.360
   82   HG23  ILE  13          3HG2      ILE  13   4.028  -2.013   5.643
   83   HD11  ILE  13          1HD1      ILE  13   5.203   1.680   7.386
   84   HD12  ILE  13          2HD1      ILE  13   4.663   0.752   5.985
   85   HD13  ILE  13          3HD1      ILE  13   6.080   1.794   5.860
   86    H    TYR  14           HN       TYR  14   6.156  -4.208   8.482
   87    HA   TYR  14           HA       TYR  14   5.845  -6.569   7.018
   88    HB2  TYR  14           HB2      TYR  14   4.508  -7.293   8.929
   89    HB3  TYR  14           HB3      TYR  14   5.803  -6.238   9.506
   90    HD1  TYR  14           HD1      TYR  14   2.202  -6.261   8.511
   91    HD2  TYR  14           HD2      TYR  14   5.312  -4.246  10.682
   92    HE1  TYR  14           HE1      TYR  14   0.519  -4.741   9.510
   93    HE2  TYR  14           HE2      TYR  14   3.628  -2.723  11.681
   94    HH   TYR  14           HH       TYR  14   0.784  -3.139  12.075
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1  13.572  -2.042  -1.628
    2    H2   GLY   1           HT2      GLY   1  13.325  -0.363  -1.531
    3    H3   GLY   1           HT3      GLY   1  13.576  -1.102  -3.041
    4    HA2  GLY   1           HA2      GLY   1  11.157  -0.536  -1.917
    5    HA3  GLY   1           HA1      GLY   1  11.441  -1.627  -3.273
    6    H    CYS   2           HN       CYS   2  12.146  -1.875   0.229
    7    HA   CYS   2           HA       CYS   2  11.196  -4.662   0.201
    8    HB2  CYS   2           HB3      CYS   2  12.342  -2.894   2.382
    9    HB3  CYS   2           HB2      CYS   2  12.173  -4.650   2.455
   10    H    CYS   3           HN       CYS   3  10.300  -1.559   1.715
   11    HA   CYS   3           HA       CYS   3   8.086  -2.626   3.255
   12    HB2  CYS   3           HB3      CYS   3   8.194   0.183   2.139
   13    HB3  CYS   3           HB2      CYS   3   7.609  -0.352   3.712
   14    HA   PRO   4           HA       PRO   4   5.002  -2.901   0.113
   15    HB2  PRO   4           HB3      PRO   4   2.773  -1.825   1.282
   16    HB3  PRO   4           HB2      PRO   4   3.442  -3.402   1.757
   17    HG2  PRO   4           HG2      PRO   4   3.683  -0.762   3.097
   18    HG3  PRO   4           HG3      PRO   4   3.534  -2.379   3.801
   19    HD2  PRO   4           HD2      PRO   4   5.890  -0.983   3.612
   20    HD3  PRO   4           HD3      PRO   4   5.782  -2.755   3.726
   21    H    ALA   5           HN       ALA   5   5.906   0.140   1.396
   22    HA   ALA   5           HA       ALA   5   4.393   2.078   0.147
   23    HB1  ALA   5           HB1      ALA   5   6.070   2.982   1.396
   24    HB2  ALA   5           HB2      ALA   5   6.901   3.055  -0.158
   25    HB3  ALA   5           HB3      ALA   5   7.215   1.717   0.950
   26    HA   PRO   6           HA       PRO   6   7.154  -0.164  -0.254
   27    HB2  PRO   6           HB3      PRO   6   9.240  -0.985  -1.776
   28    HB3  PRO   6           HB2      PRO   6   7.656  -1.781  -1.819
   29    HG2  PRO   6           HG2      PRO   6   8.934  -0.062  -3.813
   30    HG3  PRO   6           HG3      PRO   6   7.633  -1.247  -4.006
   31    HD2  PRO   6           HD2      PRO   6   7.413   1.599  -3.833
   32    HD3  PRO   6           HD3      PRO   6   6.109   0.407  -4.004
   33    H    LEU   7           HN       LEU   7   9.349   0.023   0.721
   34    HA   LEU   7           HA       LEU   7  10.770   2.549  -0.053
   35    HB2  LEU   7           HB3      LEU   7   9.200   1.960   2.268
   36    HB3  LEU   7           HB2      LEU   7  10.885   2.122   2.766
   37    HG   LEU   7           HG       LEU   7  11.053   4.301   1.743
   38   HD11  LEU   7          1HD1      LEU   7   9.873   4.431  -0.206
   39   HD12  LEU   7          2HD1      LEU   7   8.597   5.064   0.834
   40   HD13  LEU   7          3HD1      LEU   7   8.606   3.360   0.386
   41   HD21  LEU   7          1HD2      LEU   7   8.381   4.111   3.172
   42   HD22  LEU   7          2HD2      LEU   7   9.394   5.548   3.036
   43   HD23  LEU   7          3HD2      LEU   7   9.945   4.167   3.985
   44    H    THR   8           HN       THR   8  12.834   2.504   1.671
   45    HA   THR   8           HA       THR   8  14.619   0.513   0.684
   46    HB   THR   8           HB       THR   8  15.255   2.716   1.591
   47    HG1  THR   8           HG1      THR   8  16.981   1.975   2.848
   48   HG21  THR   8          1HG2      THR   8  15.016   3.276   3.896
   49   HG22  THR   8          2HG2      THR   8  14.608   1.618   4.334
   50   HG23  THR   8          3HG2      THR   8  13.461   2.595   3.420
   51    H    CYS   9           HN       CYS   9  15.764  -1.133   2.083
   52    HA   CYS   9           HA       CYS   9  13.859  -2.860   3.448
   53    HB2  CYS   9           HB3      CYS   9  16.597  -2.896   2.446
   54    HB3  CYS   9           HB2      CYS   9  16.471  -3.703   4.014
   55    H    HIS  10           HN       HIS  10  15.384  -0.073   4.429
   56    HA   HIS  10           HA       HIS  10  15.909  -0.915   7.212
   57    HB2  HIS  10           HB3      HIS  10  16.230   1.535   5.496
   58    HB3  HIS  10           HB2      HIS  10  16.231   1.727   7.253
   59    HD1  HIS  10           HD1      HIS  10  18.808   2.172   5.502
   60    HD2  HIS  10           HD2      HIS  10  17.877  -1.361   7.508
   61    HE1  HIS  10           HE1      HIS  10  20.996   0.945   5.844
   62    H    CYS  11           HN       CYS  11  13.423   0.449   5.219
   63    HA   CYS  11           HA       CYS  11  11.844   1.436   7.521
   64    HB2  CYS  11           HB3      CYS  11  11.337   2.893   5.846
   65    HB3  CYS  11           HB2      CYS  11  12.053   1.836   4.632
   66    H    VAL  12           HN       VAL  12  12.082  -1.201   5.249
   67    HA   VAL  12           HA       VAL  12  10.251  -2.829   4.790
   68    HB   VAL  12           HB       VAL  12  12.446  -3.196   6.713
   69   HG11  VAL  12          1HG1      VAL  12  10.976  -4.387   8.126
   70   HG12  VAL  12          2HG1      VAL  12  11.649  -5.645   7.088
   71   HG13  VAL  12          3HG1      VAL  12  10.035  -5.009   6.771
   72   HG21  VAL  12          1HG2      VAL  12  13.143  -4.783   5.139
   73   HG22  VAL  12          2HG2      VAL  12  12.257  -3.624   4.148
   74   HG23  VAL  12          3HG2      VAL  12  11.493  -5.139   4.627
   75    H    ILE  13           HN       ILE  13   8.144  -2.072   5.263
   76    HA   ILE  13           HA       ILE  13   7.254  -1.956   8.088
   77    HB   ILE  13           HB       ILE  13   5.905  -1.499   5.412
   78   HG12  ILE  13          HG13      ILE  13   6.749   0.474   7.552
   79   HG13  ILE  13          HG12      ILE  13   7.722   0.100   6.129
   80   HG21  ILE  13          1HG2      ILE  13   4.884  -1.515   8.211
   81   HG22  ILE  13          2HG2      ILE  13   4.046  -1.898   6.707
   82   HG23  ILE  13          3HG2      ILE  13   4.323  -0.217   7.159
   83   HD11  ILE  13          1HD1      ILE  13   5.182   0.603   5.092
   84   HD12  ILE  13          2HD1      ILE  13   6.555   1.709   5.056
   85   HD13  ILE  13          3HD1      ILE  13   5.371   1.815   6.360
   86    H    TYR  14           HN       TYR  14   7.122  -4.162   5.378
   87    HA   TYR  14           HA       TYR  14   6.201  -6.333   5.204
   88    HB2  TYR  14           HB2      TYR  14   7.298  -5.964   7.718
   89    HB3  TYR  14           HB3      TYR  14   5.670  -6.539   8.091
   90    HD1  TYR  14           HD1      TYR  14   4.852  -8.549   6.506
   91    HD2  TYR  14           HD2      TYR  14   8.947  -7.568   7.362
   92    HE1  TYR  14           HE1      TYR  14   5.532 -10.858   5.909
   93    HE2  TYR  14           HE2      TYR  14   9.625  -9.877   6.763
   94    HH   TYR  14           HH       TYR  14   8.335 -12.227   6.758
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1  11.065  -8.364  -0.132
    2    H2   GLY   1           HT2      GLY   1   9.865  -7.523   0.728
    3    H3   GLY   1           HT3      GLY   1  10.188  -9.151   1.088
    4    HA2  GLY   1           HA2      GLY   1  11.513  -8.414   2.697
    5    HA3  GLY   1           HA1      GLY   1  12.616  -7.969   1.394
    6    H    CYS   2           HN       CYS   2  12.043  -5.782   0.330
    7    HA   CYS   2           HA       CYS   2  12.262  -3.674   2.188
    8    HB2  CYS   2           HB3      CYS   2  11.826  -4.102  -0.667
    9    HB3  CYS   2           HB2      CYS   2  11.030  -2.631  -0.100
   10    H    CYS   3           HN       CYS   3  10.295  -1.779   1.595
   11    HA   CYS   3           HA       CYS   3   8.007  -2.850   3.145
   12    HB2  CYS   3           HB3      CYS   3   8.059  -0.040   2.121
   13    HB3  CYS   3           HB2      CYS   3   7.614  -0.638   3.715
   14    HA   PRO   4           HA       PRO   4   5.250  -3.034  -0.280
   15    HB2  PRO   4           HB3      PRO   4   2.940  -1.928   0.669
   16    HB3  PRO   4           HB2      PRO   4   3.553  -3.499   1.228
   17    HG2  PRO   4           HG2      PRO   4   3.617  -0.863   2.566
   18    HG3  PRO   4           HG3      PRO   4   3.517  -2.485   3.263
   19    HD2  PRO   4           HD2      PRO   4   5.808  -0.899   3.131
   20    HD3  PRO   4           HD3      PRO   4   5.767  -2.648   3.453
   21    H    ALA   5           HN       ALA   5   5.715   0.107   1.172
   22    HA   ALA   5           HA       ALA   5   4.412   1.977  -0.285
   23    HB1  ALA   5           HB1      ALA   5   6.940   2.977  -0.399
   24    HB2  ALA   5           HB2      ALA   5   7.145   1.682   0.782
   25    HB3  ALA   5           HB3      ALA   5   5.957   2.954   1.064
   26    HA   PRO   6           HA       PRO   6   7.294  -0.117  -0.398
   27    HB2  PRO   6           HB3      PRO   6   9.551  -0.842  -1.711
   28    HB3  PRO   6           HB2      PRO   6   8.029  -1.744  -1.854
   29    HG2  PRO   6           HG2      PRO   6   9.361  -0.014  -3.803
   30    HG3  PRO   6           HG3      PRO   6   8.150  -1.280  -4.055
   31    HD2  PRO   6           HD2      PRO   6   7.756   1.554  -4.000
   32    HD3  PRO   6           HD3      PRO   6   6.540   0.282  -4.241
   33    H    LEU   7           HN       LEU   7   9.270   0.305   0.820
   34    HA   LEU   7           HA       LEU   7  10.574   2.914   0.105
   35    HB2  LEU   7           HB3      LEU   7   9.002   2.047   2.359
   36    HB3  LEU   7           HB2      LEU   7  10.635   2.429   2.905
   37    HG   LEU   7           HG       LEU   7  10.515   4.648   2.010
   38   HD11  LEU   7          1HD1      LEU   7   7.903   4.870   0.957
   39   HD12  LEU   7          2HD1      LEU   7   8.587   3.405   0.260
   40   HD13  LEU   7          3HD1      LEU   7   9.422   4.943   0.062
   41   HD21  LEU   7          1HD2      LEU   7   8.404   5.526   3.079
   42   HD22  LEU   7          2HD2      LEU   7   9.337   4.452   4.122
   43   HD23  LEU   7          3HD2      LEU   7   7.890   3.855   3.310
   44    H    THR   8           HN       THR   8  12.730   3.041   1.535
   45    HA   THR   8           HA       THR   8  14.639   1.247   0.654
   46    HB   THR   8           HB       THR   8  15.138   3.283   1.909
   47    HG1  THR   8           HG1      THR   8  16.409   1.137   2.141
   48   HG21  THR   8          1HG2      THR   8  13.139   2.362   3.620
   49   HG22  THR   8          2HG2      THR   8  14.145   3.788   3.869
   50   HG23  THR   8          3HG2      THR   8  14.614   2.244   4.579
   51    H    CYS   9           HN       CYS   9  15.572  -0.719   1.559
   52    HA   CYS   9           HA       CYS   9  13.609  -2.518   2.709
   53    HB2  CYS   9           HB3      CYS   9  16.451  -2.586   1.797
   54    HB3  CYS   9           HB2      CYS   9  15.900  -3.894   2.853
   55    H    HIS  10           HN       HIS  10  15.339  -0.093   4.133
   56    HA   HIS  10           HA       HIS  10  15.976  -1.510   6.649
   57    HB2  HIS  10           HB3      HIS  10  17.356   0.347   5.568
   58    HB3  HIS  10           HB2      HIS  10  16.040   1.453   5.980
   59    HD1  HIS  10           HD1      HIS  10  19.141   0.298   7.296
   60    HD2  HIS  10           HD2      HIS  10  15.419   1.115   8.986
   61    HE1  HIS  10           HE1      HIS  10  19.533   0.610   9.779
   62    H    CYS  11           HN       CYS  11  13.358   0.077   5.127
   63    HA   CYS  11           HA       CYS  11  12.030   0.911   7.632
   64    HB2  CYS  11           HB3      CYS  11  11.254   2.421   6.118
   65    HB3  CYS  11           HB2      CYS  11  11.969   1.505   4.795
   66    H    VAL  12           HN       VAL  12  11.649  -1.415   4.994
   67    HA   VAL  12           HA       VAL  12   9.987  -3.138   4.755
   68    HB   VAL  12           HB       VAL  12  12.256  -3.863   5.670
   69   HG11  VAL  12          1HG1      VAL  12  12.576  -4.235   7.921
   70   HG12  VAL  12          2HG1      VAL  12  10.869  -4.565   8.216
   71   HG13  VAL  12          3HG1      VAL  12  11.427  -2.902   8.031
   72   HG21  VAL  12          1HG2      VAL  12  10.091  -5.304   5.007
   73   HG22  VAL  12          2HG2      VAL  12  10.210  -5.771   6.703
   74   HG23  VAL  12          3HG2      VAL  12  11.565  -6.058   5.611
   75    H    ILE  13           HN       ILE  13   8.087  -1.711   5.439
   76    HA   ILE  13           HA       ILE  13   7.217  -2.082   8.250
   77    HB   ILE  13           HB       ILE  13   6.931   0.046   6.964
   78   HG12  ILE  13          HG13      ILE  13   4.139  -0.421   7.288
   79   HG13  ILE  13          HG12      ILE  13   4.978  -1.361   8.523
   80   HG21  ILE  13          1HG2      ILE  13   6.346  -1.414   4.849
   81   HG22  ILE  13          2HG2      ILE  13   5.629   0.184   5.050
   82   HG23  ILE  13          3HG2      ILE  13   4.698  -1.259   5.454
   83   HD11  ILE  13          1HD1      ILE  13   4.530   0.897   9.357
   84   HD12  ILE  13          2HD1      ILE  13   5.362   1.592   7.965
   85   HD13  ILE  13          3HD1      ILE  13   6.266   0.660   9.158
   86    H    TYR  14           HN       TYR  14   7.336  -4.530   7.640
   87    HA   TYR  14           HA       TYR  14   6.190  -6.548   7.268
   88    HB2  TYR  14           HB2      TYR  14   3.959  -4.570   7.831
   89    HB3  TYR  14           HB3      TYR  14   3.707  -6.318   7.754
   90    HD1  TYR  14           HD1      TYR  14   4.997  -3.544   9.727
   91    HD2  TYR  14           HD2      TYR  14   4.891  -7.824   9.369
   92    HE1  TYR  14           HE1      TYR  14   5.773  -3.760  12.073
   93    HE2  TYR  14           HE2      TYR  14   5.666  -8.040  11.717
   94    HH   TYR  14           HH       TYR  14   5.443  -6.255  13.896
  Start of MODEL   21
    1    H1   GLY   1           HT1      GLY   1  12.768  -3.588  -2.894
    2    H2   GLY   1           HT2      GLY   1  13.161  -1.956  -2.638
    3    H3   GLY   1           HT3      GLY   1  12.603  -2.470  -4.158
    4    HA2  GLY   1           HA2      GLY   1  11.009  -1.287  -2.467
    5    HA3  GLY   1           HA1      GLY   1  10.439  -2.591  -3.509
    6    H    CYS   2           HN       CYS   2  12.345  -2.479  -0.475
    7    HA   CYS   2           HA       CYS   2  11.398  -4.926   0.583
    8    HB2  CYS   2           HB3      CYS   2  12.882  -2.570   1.405
    9    HB3  CYS   2           HB2      CYS   2  11.885  -3.182   2.728
   10    H    CYS   3           HN       CYS   3  10.368  -1.696   1.744
   11    HA   CYS   3           HA       CYS   3   7.973  -2.745   3.007
   12    HB2  CYS   3           HB3      CYS   3   8.194   0.121   2.110
   13    HB3  CYS   3           HB2      CYS   3   7.568  -0.521   3.624
   14    HA   PRO   4           HA       PRO   4   5.243  -2.687  -0.453
   15    HB2  PRO   4           HB3      PRO   4   2.889  -1.839   0.650
   16    HB3  PRO   4           HB2      PRO   4   3.578  -3.444   0.973
   17    HG2  PRO   4           HG2      PRO   4   3.534  -1.028   2.680
   18    HG3  PRO   4           HG3      PRO   4   3.512  -2.737   3.134
   19    HD2  PRO   4           HD2      PRO   4   5.728  -1.052   3.238
   20    HD3  PRO   4           HD3      PRO   4   5.770  -2.829   3.288
   21    H    ALA   5           HN       ALA   5   5.905   0.185   1.292
   22    HA   ALA   5           HA       ALA   5   4.430   2.228   0.190
   23    HB1  ALA   5           HB1      ALA   5   7.245   1.854   1.068
   24    HB2  ALA   5           HB2      ALA   5   6.003   2.927   1.707
   25    HB3  ALA   5           HB3      ALA   5   6.857   3.355   0.225
   26    HA   PRO   6           HA       PRO   6   7.316   0.179  -0.269
   27    HB2  PRO   6           HB3      PRO   6   9.472  -0.466  -1.785
   28    HB3  PRO   6           HB2      PRO   6   7.902  -1.275  -1.960
   29    HG2  PRO   6           HG2      PRO   6   9.231   0.600  -3.757
   30    HG3  PRO   6           HG3      PRO   6   7.901  -0.522  -4.077
   31    HD2  PRO   6           HD2      PRO   6   7.778   2.316  -3.584
   32    HD3  PRO   6           HD3      PRO   6   6.458   1.205  -4.008
   33    H    LEU   7           HN       LEU   7   9.453   0.315   0.828
   34    HA   LEU   7           HA       LEU   7  10.880   2.905   0.328
   35    HB2  LEU   7           HB3      LEU   7   9.187   2.123   2.508
   36    HB3  LEU   7           HB2      LEU   7  10.835   2.307   3.113
   37    HG   LEU   7           HG       LEU   7  10.949   4.535   1.983
   38   HD11  LEU   7          1HD1      LEU   7   8.123   4.955   1.701
   39   HD12  LEU   7          2HD1      LEU   7   8.586   3.537   0.765
   40   HD13  LEU   7          3HD1      LEU   7   9.379   5.083   0.469
   41   HD21  LEU   7          1HD2      LEU   7   9.227   3.791   4.244
   42   HD22  LEU   7          2HD2      LEU   7   8.783   5.336   3.519
   43   HD23  LEU   7          3HD2      LEU   7  10.421   5.083   4.124
   44    H    THR   8           HN       THR   8  13.028   2.904   1.566
   45    HA   THR   8           HA       THR   8  14.809   0.954   0.779
   46    HB   THR   8           HB       THR   8  15.355   3.091   1.896
   47    HG1  THR   8           HG1      THR   8  17.052   2.276   3.127
   48   HG21  THR   8          1HG2      THR   8  15.260   2.604   4.597
   49   HG22  THR   8          2HG2      THR   8  13.781   1.820   4.042
   50   HG23  THR   8          3HG2      THR   8  14.051   3.531   3.707
   51    H    CYS   9           HN       CYS   9  15.891  -0.796   2.104
   52    HA   CYS   9           HA       CYS   9  13.899  -2.589   3.247
   53    HB2  CYS   9           HB3      CYS   9  16.841  -2.601   2.669
   54    HB3  CYS   9           HB2      CYS   9  16.169  -3.859   3.712
   55    H    HIS  10           HN       HIS  10  15.386   0.070   4.505
   56    HA   HIS  10           HA       HIS  10  15.878  -1.019   7.212
   57    HB2  HIS  10           HB3      HIS  10  17.185   0.824   5.898
   58    HB3  HIS  10           HB2      HIS  10  15.842   1.879   6.354
   59    HD1  HIS  10           HD1      HIS  10  17.854   3.097   7.773
   60    HD2  HIS  10           HD2      HIS  10  16.574  -0.621   9.158
   61    HE1  HIS  10           HE1      HIS  10  18.669   2.903  10.164
   62    H    CYS  11           HN       CYS  11  13.345   0.324   5.324
   63    HA   CYS  11           HA       CYS  11  11.801   1.321   7.639
   64    HB2  CYS  11           HB3      CYS  11  11.197   2.703   5.938
   65    HB3  CYS  11           HB2      CYS  11  11.947   1.644   4.747
   66    H    VAL  12           HN       VAL  12  11.785  -1.258   5.238
   67    HA   VAL  12           HA       VAL  12  10.184  -3.028   4.950
   68    HB   VAL  12           HB       VAL  12  12.361  -3.559   6.231
   69   HG11  VAL  12          1HG1      VAL  12  12.295  -3.964   8.518
   70   HG12  VAL  12          2HG1      VAL  12  10.549  -4.211   8.528
   71   HG13  VAL  12          3HG1      VAL  12  11.207  -2.581   8.397
   72   HG21  VAL  12          1HG2      VAL  12  10.475  -5.139   5.230
   73   HG22  VAL  12          2HG2      VAL  12  10.219  -5.529   6.931
   74   HG23  VAL  12          3HG2      VAL  12  11.796  -5.804   6.191
   75    H    ILE  13           HN       ILE  13   8.031  -2.220   5.101
   76    HA   ILE  13           HA       ILE  13   6.865  -1.847   7.801
   77    HB   ILE  13           HB       ILE  13   5.758  -1.671   4.988
   78   HG12  ILE  13          HG13      ILE  13   7.487   0.012   5.608
   79   HG13  ILE  13          HG12      ILE  13   5.904   0.746   5.354
   80   HG21  ILE  13          1HG2      ILE  13   3.738  -1.744   5.995
   81   HG22  ILE  13          2HG2      ILE  13   4.149  -0.180   6.699
   82   HG23  ILE  13          3HG2      ILE  13   4.462  -1.662   7.602
   83   HD11  ILE  13          1HD1      ILE  13   5.693   0.223   7.979
   84   HD12  ILE  13          2HD1      ILE  13   6.405   1.720   7.376
   85   HD13  ILE  13          3HD1      ILE  13   7.446   0.388   7.878
   86    H    TYR  14           HN       TYR  14   7.772  -4.518   6.431
   87    HA   TYR  14           HA       TYR  14   5.928  -6.247   7.728
   88    HB2  TYR  14           HB2      TYR  14   4.335  -5.451   6.074
   89    HB3  TYR  14           HB3      TYR  14   5.484  -5.749   4.765
   90    HD1  TYR  14           HD1      TYR  14   6.213  -8.127   4.279
   91    HD2  TYR  14           HD2      TYR  14   2.953  -7.192   6.916
   92    HE1  TYR  14           HE1      TYR  14   5.393 -10.461   4.094
   93    HE2  TYR  14           HE2      TYR  14   2.132  -9.524   6.729
   94    HH   TYR  14           HH       TYR  14   3.201 -11.806   6.185
  Start of MODEL   22
    1    H1   GLY   1           HT1      GLY   1  11.987  -1.362  -3.370
    2    H2   GLY   1           HT2      GLY   1  13.613  -0.961  -3.082
    3    H3   GLY   1           HT3      GLY   1  12.450   0.266  -3.252
    4    HA2  GLY   1           HA2      GLY   1  13.311  -0.617  -0.898
    5    HA3  GLY   1           HA1      GLY   1  11.709   0.077  -1.156
    6    H    CYS   2           HN       CYS   2  12.753  -2.185   0.653
    7    HA   CYS   2           HA       CYS   2  11.403  -4.576  -0.370
    8    HB2  CYS   2           HB3      CYS   2  12.704  -3.782   2.241
    9    HB3  CYS   2           HB2      CYS   2  11.979  -5.363   1.989
   10    H    CYS   3           HN       CYS   3  10.438  -1.764   1.448
   11    HA   CYS   3           HA       CYS   3   8.252  -3.026   2.911
   12    HB2  CYS   3           HB3      CYS   3   8.116  -0.151   2.058
   13    HB3  CYS   3           HB2      CYS   3   7.733  -0.867   3.617
   14    HA   PRO   4           HA       PRO   4   5.222  -3.131  -0.284
   15    HB2  PRO   4           HB3      PRO   4   2.942  -2.310   0.985
   16    HB3  PRO   4           HB2      PRO   4   3.697  -3.889   1.292
   17    HG2  PRO   4           HG2      PRO   4   3.757  -1.414   2.921
   18    HG3  PRO   4           HG3      PRO   4   3.765  -3.106   3.433
   19    HD2  PRO   4           HD2      PRO   4   5.987  -1.455   3.348
   20    HD3  PRO   4           HD3      PRO   4   6.034  -3.232   3.370
   21    H    ALA   5           HN       ALA   5   6.019  -0.207   1.270
   22    HA   ALA   5           HA       ALA   5   4.379   1.783   0.279
   23    HB1  ALA   5           HB1      ALA   5   6.056   2.640   1.558
   24    HB2  ALA   5           HB2      ALA   5   6.855   2.875   0.005
   25    HB3  ALA   5           HB3      ALA   5   7.229   1.457   0.982
   26    HA   PRO   6           HA       PRO   6   7.292  -0.137  -0.370
   27    HB2  PRO   6           HB3      PRO   6   9.376  -0.682  -2.020
   28    HB3  PRO   6           HB2      PRO   6   7.867  -1.613  -2.038
   29    HG2  PRO   6           HG2      PRO   6   8.906   0.272  -4.006
   30    HG3  PRO   6           HG3      PRO   6   7.648  -0.961  -4.177
   31    HD2  PRO   6           HD2      PRO   6   7.335   1.875  -3.797
   32    HD3  PRO   6           HD3      PRO   6   6.078   0.647  -4.056
   33    H    LEU   7           HN       LEU   7   9.276   0.300   0.738
   34    HA   LEU   7           HA       LEU   7  10.632   2.865  -0.015
   35    HB2  LEU   7           HB3      LEU   7   9.002   2.195   2.250
   36    HB3  LEU   7           HB2      LEU   7  10.655   2.459   2.807
   37    HG   LEU   7           HG       LEU   7  10.730   4.651   1.842
   38   HD11  LEU   7          1HD1      LEU   7   9.721   4.773  -0.193
   39   HD12  LEU   7          2HD1      LEU   7   8.287   5.230   0.727
   40   HD13  LEU   7          3HD1      LEU   7   8.522   3.556   0.232
   41   HD21  LEU   7          1HD2      LEU   7   8.119   5.283   2.682
   42   HD22  LEU   7          2HD2      LEU   7   9.580   5.321   3.669
   43   HD23  LEU   7          3HD2      LEU   7   8.578   3.869   3.633
   44    H    THR   8           HN       THR   8  12.819   2.999   1.187
   45    HA   THR   8           HA       THR   8  14.668   1.123   0.483
   46    HB   THR   8           HB       THR   8  15.015   3.293   1.707
   47    HG1  THR   8           HG1      THR   8  16.923   2.615   2.377
   48   HG21  THR   8          1HG2      THR   8  15.079   3.031   4.253
   49   HG22  THR   8          2HG2      THR   8  14.137   1.558   4.020
   50   HG23  THR   8          3HG2      THR   8  13.477   3.115   3.518
   51    H    CYS   9           HN       CYS   9  15.674  -0.739   1.566
   52    HA   CYS   9           HA       CYS   9  13.721  -2.503   2.796
   53    HB2  CYS   9           HB3      CYS   9  16.687  -2.703   2.224
   54    HB3  CYS   9           HB2      CYS   9  15.700  -4.053   2.798
   55    H    HIS  10           HN       HIS  10  15.339   0.008   4.103
   56    HA   HIS  10           HA       HIS  10  16.079  -1.282   6.666
   57    HB2  HIS  10           HB3      HIS  10  17.052   0.833   5.246
   58    HB3  HIS  10           HB2      HIS  10  15.940   1.676   6.328
   59    HD1  HIS  10           HD1      HIS  10  16.629  -0.876   8.461
   60    HD2  HIS  10           HD2      HIS  10  19.121   2.106   6.949
   61    HE1  HIS  10           HE1      HIS  10  18.573  -0.677  10.075
   62    H    CYS  11           HN       CYS  11  13.404   0.124   5.078
   63    HA   CYS  11           HA       CYS  11  11.992   0.951   7.534
   64    HB2  CYS  11           HB3      CYS  11  11.220   2.407   5.972
   65    HB3  CYS  11           HB2      CYS  11  11.997   1.488   4.686
   66    H    VAL  12           HN       VAL  12  11.748  -1.412   4.917
   67    HA   VAL  12           HA       VAL  12  10.137  -3.156   4.633
   68    HB   VAL  12           HB       VAL  12  12.460  -3.645   5.902
   69   HG11  VAL  12          1HG1      VAL  12  11.253  -3.428   8.149
   70   HG12  VAL  12          2HG1      VAL  12  12.196  -4.898   7.909
   71   HG13  VAL  12          3HG1      VAL  12  10.441  -4.939   7.741
   72   HG21  VAL  12          1HG2      VAL  12  12.176  -5.823   5.177
   73   HG22  VAL  12          2HG2      VAL  12  10.868  -5.032   4.298
   74   HG23  VAL  12          3HG2      VAL  12  10.522  -5.921   5.782
   75    H    ILE  13           HN       ILE  13   8.073  -2.149   5.057
   76    HA   ILE  13           HA       ILE  13   7.087  -2.128   7.854
   77    HB   ILE  13           HB       ILE  13   5.994  -1.302   5.157
   78   HG12  ILE  13          HG13      ILE  13   7.738   0.096   6.360
   79   HG13  ILE  13          HG12      ILE  13   6.220   0.933   6.032
   80   HG21  ILE  13          1HG2      ILE  13   4.391  -0.305   7.297
   81   HG22  ILE  13          2HG2      ILE  13   4.511  -2.055   7.484
   82   HG23  ILE  13          3HG2      ILE  13   3.903  -1.368   5.978
   83   HD11  ILE  13          1HD1      ILE  13   6.457  -0.537   8.620
   84   HD12  ILE  13          2HD1      ILE  13   5.588   0.952   8.250
   85   HD13  ILE  13          3HD1      ILE  13   7.340   0.982   8.456
   86    H    TYR  14           HN       TYR  14   5.841  -3.764   8.707
   87    HA   TYR  14           HA       TYR  14   5.569  -6.311   7.668
   88    HB2  TYR  14           HB2      TYR  14   3.542  -4.770   9.328
   89    HB3  TYR  14           HB3      TYR  14   3.687  -6.529   9.254
   90    HD1  TYR  14           HD1      TYR  14   6.574  -6.962   9.269
   91    HD2  TYR  14           HD2      TYR  14   4.222  -4.135  11.488
   92    HE1  TYR  14           HE1      TYR  14   8.316  -6.897  11.031
   93    HE2  TYR  14           HE2      TYR  14   5.965  -4.071  13.251
   94    HH   TYR  14           HH       TYR  14   9.029  -5.815  12.872
  Start of MODEL   23
    1    H1   GLY   1           HT1      GLY   1  13.111  -2.126  -3.647
    2    H2   GLY   1           HT2      GLY   1  13.296  -1.200  -2.234
    3    H3   GLY   1           HT3      GLY   1  12.920  -0.441  -3.706
    4    HA2  GLY   1           HA2      GLY   1  10.923  -0.509  -2.468
    5    HA3  GLY   1           HA1      GLY   1  10.796  -1.725  -3.740
    6    H    CYS   2           HN       CYS   2  12.238  -1.566  -0.458
    7    HA   CYS   2           HA       CYS   2  11.632  -4.382   0.037
    8    HB2  CYS   2           HB3      CYS   2  12.666  -2.086   1.723
    9    HB3  CYS   2           HB2      CYS   2  12.568  -3.753   2.291
   10    H    CYS   3           HN       CYS   3  10.680  -1.432   1.822
   11    HA   CYS   3           HA       CYS   3   8.573  -2.577   3.333
   12    HB2  CYS   3           HB3      CYS   3   8.394   0.216   2.174
   13    HB3  CYS   3           HB2      CYS   3   7.908  -0.337   3.771
   14    HA   PRO   4           HA       PRO   4   5.341  -3.107   0.371
   15    HB2  PRO   4           HB3      PRO   4   3.104  -2.218   1.677
   16    HB3  PRO   4           HB2      PRO   4   3.927  -3.735   2.103
   17    HG2  PRO   4           HG2      PRO   4   4.005  -1.095   3.453
   18    HG3  PRO   4           HG3      PRO   4   4.073  -2.723   4.143
   19    HD2  PRO   4           HD2      PRO   4   6.249  -1.065   3.784
   20    HD3  PRO   4           HD3      PRO   4   6.337  -2.833   3.957
   21    H    ALA   5           HN       ALA   5   6.116  -0.025   1.603
   22    HA   ALA   5           HA       ALA   5   4.413   1.833   0.479
   23    HB1  ALA   5           HB1      ALA   5   6.797   2.996   0.064
   24    HB2  ALA   5           HB2      ALA   5   7.322   1.626   1.044
   25    HB3  ALA   5           HB3      ALA   5   6.130   2.760   1.679
   26    HA   PRO   6           HA       PRO   6   7.236  -0.265  -0.110
   27    HB2  PRO   6           HB3      PRO   6   9.200  -1.083  -1.791
   28    HB3  PRO   6           HB2      PRO   6   7.620  -1.887  -1.707
   29    HG2  PRO   6           HG2      PRO   6   8.733  -0.199  -3.814
   30    HG3  PRO   6           HG3      PRO   6   7.392  -1.353  -3.878
   31    HD2  PRO   6           HD2      PRO   6   7.276   1.514  -3.665
   32    HD3  PRO   6           HD3      PRO   6   5.933   0.359  -3.804
   33    H    LEU   7           HN       LEU   7   9.463  -0.001   0.735
   34    HA   LEU   7           HA       LEU   7  10.846   2.470  -0.244
   35    HB2  LEU   7           HB3      LEU   7   9.330   2.085   2.154
   36    HB3  LEU   7           HB2      LEU   7  11.027   2.284   2.596
   37    HG   LEU   7           HG       LEU   7  11.171   4.359   1.355
   38   HD11  LEU   7          1HD1      LEU   7   9.879   4.242  -0.542
   39   HD12  LEU   7          2HD1      LEU   7   8.747   5.128   0.481
   40   HD13  LEU   7          3HD1      LEU   7   8.575   3.387   0.277
   41   HD21  LEU   7          1HD2      LEU   7   8.595   4.306   2.961
   42   HD22  LEU   7          2HD2      LEU   7   9.579   5.730   2.620
   43   HD23  LEU   7          3HD2      LEU   7  10.211   4.449   3.654
   44    H    THR   8           HN       THR   8  12.827   2.439   1.785
   45    HA   THR   8           HA       THR   8  14.679   0.488   0.774
   46    HB   THR   8           HB       THR   8  15.186   2.727   1.783
   47    HG1  THR   8           HG1      THR   8  16.747   1.001   1.701
   48   HG21  THR   8          1HG2      THR   8  13.625   1.632   3.897
   49   HG22  THR   8          2HG2      THR   8  14.318   3.248   3.789
   50   HG23  THR   8          3HG2      THR   8  15.241   1.940   4.532
   51    H    CYS   9           HN       CYS   9  15.777  -1.160   2.216
   52    HA   CYS   9           HA       CYS   9  13.816  -2.931   3.438
   53    HB2  CYS   9           HB3      CYS   9  16.703  -2.861   2.749
   54    HB3  CYS   9           HB2      CYS   9  16.259  -3.951   4.067
   55    H    HIS  10           HN       HIS  10  15.315  -0.179   4.597
   56    HA   HIS  10           HA       HIS  10  15.695  -1.153   7.369
   57    HB2  HIS  10           HB3      HIS  10  17.024   0.652   5.941
   58    HB3  HIS  10           HB2      HIS  10  15.741   1.728   6.504
   59    HD1  HIS  10           HD1      HIS  10  16.621   2.984   8.469
   60    HD2  HIS  10           HD2      HIS  10  17.803  -1.013   8.555
   61    HE1  HIS  10           HE1      HIS  10  17.889   2.659  10.637
   62    H    CYS  11           HN       CYS  11  13.404   0.557   5.369
   63    HA   CYS  11           HA       CYS  11  11.728   1.370   7.662
   64    HB2  CYS  11           HB3      CYS  11  11.295   3.017   6.165
   65    HB3  CYS  11           HB2      CYS  11  12.218   2.161   4.934
   66    H    VAL  12           HN       VAL  12  12.152  -1.285   5.571
   67    HA   VAL  12           HA       VAL  12  10.036  -2.560   4.727
   68    HB   VAL  12           HB       VAL  12  12.194  -3.357   6.592
   69   HG11  VAL  12          1HG1      VAL  12  10.550  -4.654   7.713
   70   HG12  VAL  12          2HG1      VAL  12  11.251  -5.765   6.535
   71   HG13  VAL  12          3HG1      VAL  12   9.690  -5.009   6.215
   72   HG21  VAL  12          1HG2      VAL  12  11.368  -5.025   4.294
   73   HG22  VAL  12          2HG2      VAL  12  12.964  -4.411   4.729
   74   HG23  VAL  12          3HG2      VAL  12  11.810  -3.364   3.905
   75    H    ILE  13           HN       ILE  13   7.971  -1.864   5.328
   76    HA   ILE  13           HA       ILE  13   7.177  -1.927   8.185
   77    HB   ILE  13           HB       ILE  13   5.860  -1.158   5.573
   78   HG12  ILE  13          HG13      ILE  13   6.717   0.384   8.041
   79   HG13  ILE  13          HG12      ILE  13   7.490   0.439   6.456
   80   HG21  ILE  13          1HG2      ILE  13   4.659  -0.968   8.347
   81   HG22  ILE  13          2HG2      ILE  13   4.204  -2.183   7.152
   82   HG23  ILE  13          3HG2      ILE  13   3.902  -0.475   6.832
   83   HD11  ILE  13          1HD1      ILE  13   4.761   0.967   5.986
   84   HD12  ILE  13          2HD1      ILE  13   6.094   2.120   5.905
   85   HD13  ILE  13          3HD1      ILE  13   5.192   1.919   7.408
   86    H    TYR  14           HN       TYR  14   6.984  -3.980   5.383
   87    HA   TYR  14           HA       TYR  14   6.089  -6.160   5.156
   88    HB2  TYR  14           HB2      TYR  14   6.861  -5.780   7.805
   89    HB3  TYR  14           HB3      TYR  14   5.202  -6.374   7.940
   90    HD1  TYR  14           HD1      TYR  14   7.883  -7.816   8.674
   91    HD2  TYR  14           HD2      TYR  14   5.307  -7.921   5.238
   92    HE1  TYR  14           HE1      TYR  14   8.661 -10.114   8.162
   93    HE2  TYR  14           HE2      TYR  14   6.084 -10.218   4.725
   94    HH   TYR  14           HH       TYR  14   7.298 -11.945   5.424
  Start of MODEL   24
    1    H1   GLY   1           HT1      GLY   1  12.614  -0.944  -4.755
    2    H2   GLY   1           HT2      GLY   1  11.691  -2.364  -4.892
    3    H3   GLY   1           HT3      GLY   1  13.043  -2.322  -3.863
    4    HA2  GLY   1           HA2      GLY   1  11.831  -0.459  -2.640
    5    HA3  GLY   1           HA1      GLY   1  10.406  -1.045  -3.503
    6    H    CYS   2           HN       CYS   2  12.206  -1.437  -0.708
    7    HA   CYS   2           HA       CYS   2  11.774  -4.309  -0.326
    8    HB2  CYS   2           HB3      CYS   2  12.662  -2.012   1.440
    9    HB3  CYS   2           HB2      CYS   2  12.649  -3.698   1.963
   10    H    CYS   3           HN       CYS   3  10.698  -1.538   1.643
   11    HA   CYS   3           HA       CYS   3   8.590  -2.842   3.005
   12    HB2  CYS   3           HB3      CYS   3   8.501   0.040   2.050
   13    HB3  CYS   3           HB2      CYS   3   7.844  -0.620   3.545
   14    HA   PRO   4           HA       PRO   4   5.411  -3.215  -0.047
   15    HB2  PRO   4           HB3      PRO   4   3.145  -2.524   1.329
   16    HB3  PRO   4           HB2      PRO   4   4.004  -4.056   1.597
   17    HG2  PRO   4           HG2      PRO   4   4.039  -1.558   3.207
   18    HG3  PRO   4           HG3      PRO   4   4.096  -3.246   3.736
   19    HD2  PRO   4           HD2      PRO   4   6.284  -1.600   3.605
   20    HD3  PRO   4           HD3      PRO   4   6.364  -3.373   3.512
   21    H    ALA   5           HN       ALA   5   6.250  -0.270   1.350
   22    HA   ALA   5           HA       ALA   5   4.413   1.638   0.435
   23    HB1  ALA   5           HB1      ALA   5   7.255   1.463   1.182
   24    HB2  ALA   5           HB2      ALA   5   6.023   2.613   1.705
   25    HB3  ALA   5           HB3      ALA   5   6.848   2.844   0.165
   26    HA   PRO   6           HA       PRO   6   7.392  -0.190  -0.231
   27    HB2  PRO   6           HB3      PRO   6   9.522  -0.619  -1.857
   28    HB3  PRO   6           HB2      PRO   6   8.040  -1.590  -1.945
   29    HG2  PRO   6           HG2      PRO   6   9.058   0.423  -3.803
   30    HG3  PRO   6           HG3      PRO   6   7.875  -0.866  -4.068
   31    HD2  PRO   6           HD2      PRO   6   7.389   1.925  -3.610
   32    HD3  PRO   6           HD3      PRO   6   6.204   0.633  -3.902
   33    H    LEU   7           HN       LEU   7   9.666   0.108   0.627
   34    HA   LEU   7           HA       LEU   7  10.862   2.773   0.040
   35    HB2  LEU   7           HB3      LEU   7   9.178   2.155   2.254
   36    HB3  LEU   7           HB2      LEU   7  10.820   2.341   2.874
   37    HG   LEU   7           HG       LEU   7  11.025   4.518   1.789
   38   HD11  LEU   7          1HD1      LEU   7   8.287   3.818   0.716
   39   HD12  LEU   7          2HD1      LEU   7   9.735   4.219  -0.204
   40   HD13  LEU   7          3HD1      LEU   7   8.904   5.467   0.724
   41   HD21  LEU   7          1HD2      LEU   7   9.415   5.753   3.127
   42   HD22  LEU   7          2HD2      LEU   7   9.929   4.339   4.048
   43   HD23  LEU   7          3HD2      LEU   7   8.363   4.341   3.236
   44    H    THR   8           HN       THR   8  12.871   2.866   1.816
   45    HA   THR   8           HA       THR   8  14.837   1.075   0.940
   46    HB   THR   8           HB       THR   8  15.283   3.146   2.149
   47    HG1  THR   8           HG1      THR   8  16.841   1.510   2.341
   48   HG21  THR   8          1HG2      THR   8  14.755   3.413   4.499
   49   HG22  THR   8          2HG2      THR   8  14.161   1.756   4.594
   50   HG23  THR   8          3HG2      THR   8  13.280   2.956   3.649
   51    H    CYS   9           HN       CYS   9  15.880  -0.741   2.094
   52    HA   CYS   9           HA       CYS   9  13.967  -2.696   3.060
   53    HB2  CYS   9           HB3      CYS   9  16.778  -2.482   2.282
   54    HB3  CYS   9           HB2      CYS   9  16.541  -3.587   3.641
   55    H    HIS  10           HN       HIS  10  15.435  -0.096   4.593
   56    HA   HIS  10           HA       HIS  10  15.764  -1.417   7.222
   57    HB2  HIS  10           HB3      HIS  10  17.022   0.634   5.958
   58    HB3  HIS  10           HB2      HIS  10  15.825   1.543   6.889
   59    HD1  HIS  10           HD1      HIS  10  18.428   2.159   7.958
   60    HD2  HIS  10           HD2      HIS  10  16.567  -1.410   9.044
   61    HE1  HIS  10           HE1      HIS  10  19.529   1.403  10.109
   62    H    CYS  11           HN       CYS  11  13.383   0.247   5.380
   63    HA   CYS  11           HA       CYS  11  11.775   1.061   7.724
   64    HB2  CYS  11           HB3      CYS  11  11.240   2.645   6.192
   65    HB3  CYS  11           HB2      CYS  11  12.128   1.770   4.948
   66    H    VAL  12           HN       VAL  12  12.055  -1.537   5.451
   67    HA   VAL  12           HA       VAL  12  10.165  -3.021   4.769
   68    HB   VAL  12           HB       VAL  12  12.287  -3.866   5.917
   69   HG11  VAL  12          1HG1      VAL  12  11.169  -3.005   8.209
   70   HG12  VAL  12          2HG1      VAL  12  12.318  -4.342   8.163
   71   HG13  VAL  12          3HG1      VAL  12  10.586  -4.669   8.223
   72   HG21  VAL  12          1HG2      VAL  12   9.855  -5.158   5.212
   73   HG22  VAL  12          2HG2      VAL  12  10.450  -5.941   6.676
   74   HG23  VAL  12          3HG2      VAL  12  11.476  -5.853   5.245
   75    H    ILE  13           HN       ILE  13   8.107  -1.929   5.092
   76    HA   ILE  13           HA       ILE  13   6.962  -2.009   7.823
   77    HB   ILE  13           HB       ILE  13   6.396  -0.751   5.201
   78   HG12  ILE  13          HG13      ILE  13   5.331   0.633   7.450
   79   HG13  ILE  13          HG12      ILE  13   6.892  -0.041   7.922
   80   HG21  ILE  13          1HG2      ILE  13   4.022  -0.362   5.682
   81   HG22  ILE  13          2HG2      ILE  13   4.131  -1.372   7.123
   82   HG23  ILE  13          3HG2      ILE  13   4.322  -2.092   5.525
   83   HD11  ILE  13          1HD1      ILE  13   6.301   2.137   6.078
   84   HD12  ILE  13          2HD1      ILE  13   7.335   0.909   5.350
   85   HD13  ILE  13          3HD1      ILE  13   7.828   1.702   6.846
   86    H    TYR  14           HN       TYR  14   6.236  -3.931   8.491
   87    HA   TYR  14           HA       TYR  14   5.794  -6.289   7.190
   88    HB2  TYR  14           HB2      TYR  14   5.166  -5.121   9.661
   89    HB3  TYR  14           HB3      TYR  14   3.629  -5.766   9.069
   90    HD1  TYR  14           HD1      TYR  14   6.337  -6.591  11.030
   91    HD2  TYR  14           HD2      TYR  14   4.062  -8.162   7.743
   92    HE1  TYR  14           HE1      TYR  14   7.068  -8.886  11.621
   93    HE2  TYR  14           HE2      TYR  14   4.794 -10.457   8.333
   94    HH   TYR  14           HH       TYR  14   5.634 -11.560  10.724
  Start of MODEL   25
    1    H1   GLY   1           HT1      GLY   1  13.221  -1.348  -3.282
    2    H2   GLY   1           HT2      GLY   1  12.591  -1.807  -4.792
    3    H3   GLY   1           HT3      GLY   1  12.955  -2.986  -3.624
    4    HA2  GLY   1           HA2      GLY   1  11.028  -0.888  -2.933
    5    HA3  GLY   1           HA1      GLY   1  10.507  -2.201  -3.989
    6    H    CYS   2           HN       CYS   2  12.159  -1.639  -0.866
    7    HA   CYS   2           HA       CYS   2  11.682  -4.367   0.042
    8    HB2  CYS   2           HB3      CYS   2  12.514  -1.828   1.478
    9    HB3  CYS   2           HB2      CYS   2  12.644  -3.463   2.130
   10    H    CYS   3           HN       CYS   3  10.728  -1.428   1.794
   11    HA   CYS   3           HA       CYS   3   8.553  -2.517   3.198
   12    HB2  CYS   3           HB3      CYS   3   8.482   0.283   2.033
   13    HB3  CYS   3           HB2      CYS   3   7.880  -0.261   3.594
   14    HA   PRO   4           HA       PRO   4   5.368  -3.048   0.187
   15    HB2  PRO   4           HB3      PRO   4   3.127  -2.212   1.521
   16    HB3  PRO   4           HB2      PRO   4   3.961  -3.736   1.899
   17    HG2  PRO   4           HG2      PRO   4   4.051  -1.124   3.316
   18    HG3  PRO   4           HG3      PRO   4   4.083  -2.768   3.971
   19    HD2  PRO   4           HD2      PRO   4   6.297  -1.170   3.697
   20    HD3  PRO   4           HD3      PRO   4   6.347  -2.946   3.747
   21    H    ALA   5           HN       ALA   5   6.302  -0.030   1.326
   22    HA   ALA   5           HA       ALA   5   4.466   1.821   0.253
   23    HB1  ALA   5           HB1      ALA   5   7.316   1.710   1.046
   24    HB2  ALA   5           HB2      ALA   5   6.043   2.812   1.571
   25    HB3  ALA   5           HB3      ALA   5   6.848   3.069   0.023
   26    HA   PRO   6           HA       PRO   6   7.447  -0.079  -0.202
   27    HB2  PRO   6           HB3      PRO   6   9.600  -0.668  -1.744
   28    HB3  PRO   6           HB2      PRO   6   8.094  -1.602  -1.811
   29    HG2  PRO   6           HG2      PRO   6   9.213   0.255  -3.767
   30    HG3  PRO   6           HG3      PRO   6   7.990  -1.008  -3.974
   31    HD2  PRO   6           HD2      PRO   6   7.598   1.826  -3.690
   32    HD3  PRO   6           HD3      PRO   6   6.377   0.563  -3.955
   33    H    LEU   7           HN       LEU   7   9.687   0.225   0.701
   34    HA   LEU   7           HA       LEU   7  10.937   2.852   0.012
   35    HB2  LEU   7           HB3      LEU   7   9.277   2.244   2.267
   36    HB3  LEU   7           HB2      LEU   7  10.926   2.491   2.844
   37    HG   LEU   7           HG       LEU   7  11.049   4.651   1.745
   38   HD11  LEU   7          1HD1      LEU   7   9.851   4.508  -0.242
   39   HD12  LEU   7          2HD1      LEU   7   8.715   5.423   0.750
   40   HD13  LEU   7          3HD1      LEU   7   8.491   3.691   0.522
   41   HD21  LEU   7          1HD2      LEU   7   9.421   5.859   3.063
   42   HD22  LEU   7          2HD2      LEU   7   9.907   4.443   3.996
   43   HD23  LEU   7          3HD2      LEU   7   8.364   4.449   3.143
   44    H    THR   8           HN       THR   8  12.991   2.966   1.698
   45    HA   THR   8           HA       THR   8  14.934   1.149   0.909
   46    HB   THR   8           HB       THR   8  15.180   3.257   2.267
   47    HG1  THR   8           HG1      THR   8  16.465   1.300   3.756
   48   HG21  THR   8          1HG2      THR   8  15.112   2.206   4.873
   49   HG22  THR   8          2HG2      THR   8  13.623   1.659   4.104
   50   HG23  THR   8          3HG2      THR   8  13.995   3.380   4.175
   51    H    CYS   9           HN       CYS   9  15.992  -0.607   2.331
   52    HA   CYS   9           HA       CYS   9  13.938  -2.556   3.108
   53    HB2  CYS   9           HB3      CYS   9  16.785  -2.451   2.416
   54    HB3  CYS   9           HB2      CYS   9  16.431  -3.597   3.715
   55    H    HIS  10           HN       HIS  10  15.344  -0.014   4.719
   56    HA   HIS  10           HA       HIS  10  15.633  -1.388   7.330
   57    HB2  HIS  10           HB3      HIS  10  16.795   0.800   6.090
   58    HB3  HIS  10           HB2      HIS  10  15.656   1.556   7.209
   59    HD1  HIS  10           HD1      HIS  10  15.877  -0.787   9.375
   60    HD2  HIS  10           HD2      HIS  10  19.073   1.307   7.709
   61    HE1  HIS  10           HE1      HIS  10  17.800  -0.998  11.009
   62    H    CYS  11           HN       CYS  11  13.369   0.457   5.474
   63    HA   CYS  11           HA       CYS  11  11.600   1.025   7.776
   64    HB2  CYS  11           HB3      CYS  11  11.209   2.793   6.402
   65    HB3  CYS  11           HB2      CYS  11  12.145   2.035   5.119
   66    H    VAL  12           HN       VAL  12  12.151  -1.419   5.448
   67    HA   VAL  12           HA       VAL  12  10.075  -2.635   4.431
   68    HB   VAL  12           HB       VAL  12  12.301  -3.540   6.089
   69   HG11  VAL  12          1HG1      VAL  12  11.247  -5.975   6.035
   70   HG12  VAL  12          2HG1      VAL  12   9.732  -5.087   6.184
   71   HG13  VAL  12          3HG1      VAL  12  10.980  -4.915   7.419
   72   HG21  VAL  12          1HG2      VAL  12  12.807  -4.087   3.964
   73   HG22  VAL  12          2HG2      VAL  12  11.128  -3.916   3.455
   74   HG23  VAL  12          3HG2      VAL  12  11.692  -5.442   4.135
   75    H    ILE  13           HN       ILE  13   8.010  -1.958   5.064
   76    HA   ILE  13           HA       ILE  13   7.142  -2.378   7.868
   77    HB   ILE  13           HB       ILE  13   5.640  -1.404   5.416
   78   HG12  ILE  13          HG13      ILE  13   7.648  -0.033   5.936
   79   HG13  ILE  13          HG12      ILE  13   6.154   0.850   6.251
   80   HG21  ILE  13          1HG2      ILE  13   4.371  -0.222   7.391
   81   HG22  ILE  13          2HG2      ILE  13   5.054  -1.529   8.357
   82   HG23  ILE  13          3HG2      ILE  13   3.997  -1.899   6.994
   83   HD11  ILE  13          1HD1      ILE  13   7.841  -0.588   8.319
   84   HD12  ILE  13          2HD1      ILE  13   6.313   0.229   8.649
   85   HD13  ILE  13          3HD1      ILE  13   7.714   1.159   8.116
   86    H    TYR  14           HN       TYR  14   6.271  -4.291   8.496
   87    HA   TYR  14           HA       TYR  14   4.850  -5.951   6.442
   88    HB2  TYR  14           HB2      TYR  14   5.854  -7.903   7.723
   89    HB3  TYR  14           HB3      TYR  14   7.032  -6.902   6.863
   90    HD1  TYR  14           HD1      TYR  14   8.338  -5.155   8.132
   91    HD2  TYR  14           HD2      TYR  14   5.885  -8.080  10.103
   92    HE1  TYR  14           HE1      TYR  14   9.511  -4.700  10.268
   93    HE2  TYR  14           HE2      TYR  14   7.056  -7.621  12.238
   94    HH   TYR  14           HH       TYR  14   8.358  -5.866  13.282
  Start of MODEL   26
    1    H1   GLY   1           HT1      GLY   1  12.851  -3.330  -3.380
    2    H2   GLY   1           HT2      GLY   1  13.176  -1.693  -3.059
    3    H3   GLY   1           HT3      GLY   1  12.584  -2.162  -4.581
    4    HA2  GLY   1           HA2      GLY   1  10.992  -1.133  -2.810
    5    HA3  GLY   1           HA1      GLY   1  10.454  -2.454  -3.848
    6    H    CYS   2           HN       CYS   2  12.140  -1.945  -0.732
    7    HA   CYS   2           HA       CYS   2  11.446  -4.593   0.253
    8    HB2  CYS   2           HB3      CYS   2  13.022  -2.274   0.990
    9    HB3  CYS   2           HB2      CYS   2  12.123  -2.885   2.383
   10    H    CYS   3           HN       CYS   3  10.656  -1.532   1.898
   11    HA   CYS   3           HA       CYS   3   8.415  -2.451   3.320
   12    HB2  CYS   3           HB3      CYS   3   8.476   0.293   2.027
   13    HB3  CYS   3           HB2      CYS   3   7.834  -0.151   3.600
   14    HA   PRO   4           HA       PRO   4   5.280  -2.946   0.264
   15    HB2  PRO   4           HB3      PRO   4   3.033  -1.985   1.494
   16    HB3  PRO   4           HB2      PRO   4   3.810  -3.513   1.959
   17    HG2  PRO   4           HG2      PRO   4   3.876  -0.875   3.298
   18    HG3  PRO   4           HG3      PRO   4   3.957  -2.500   3.991
   19    HD2  PRO   4           HD2      PRO   4   6.117  -0.789   3.603
   20    HD3  PRO   4           HD3      PRO   4   6.222  -2.541   3.892
   21    H    ALA   5           HN       ALA   5   6.189   0.132   1.352
   22    HA   ALA   5           HA       ALA   5   4.465   1.945   0.096
   23    HB1  ALA   5           HB1      ALA   5   7.258   1.820   1.012
   24    HB2  ALA   5           HB2      ALA   5   6.037   3.059   1.294
   25    HB3  ALA   5           HB3      ALA   5   6.948   3.048  -0.215
   26    HA   PRO   6           HA       PRO   6   7.365  -0.149  -0.206
   27    HB2  PRO   6           HB3      PRO   6   9.579  -0.776  -1.636
   28    HB3  PRO   6           HB2      PRO   6   8.081  -1.721  -1.728
   29    HG2  PRO   6           HG2      PRO   6   9.255   0.128  -3.681
   30    HG3  PRO   6           HG3      PRO   6   8.127  -1.213  -3.925
   31    HD2  PRO   6           HD2      PRO   6   7.524   1.561  -3.842
   32    HD3  PRO   6           HD3      PRO   6   6.382   0.207  -3.959
   33    H    LEU   7           HN       LEU   7   9.639   0.149   0.702
   34    HA   LEU   7           HA       LEU   7  10.848   2.794   0.019
   35    HB2  LEU   7           HB3      LEU   7   9.168   2.205   2.240
   36    HB3  LEU   7           HB2      LEU   7  10.808   2.391   2.867
   37    HG   LEU   7           HG       LEU   7  11.029   4.565   1.835
   38   HD11  LEU   7          1HD1      LEU   7   8.500   3.715   0.460
   39   HD12  LEU   7          2HD1      LEU   7   9.960   4.409  -0.240
   40   HD13  LEU   7          3HD1      LEU   7   8.841   5.430   0.665
   41   HD21  LEU   7          1HD2      LEU   7   8.809   5.649   2.785
   42   HD22  LEU   7          2HD2      LEU   7   9.973   4.914   3.887
   43   HD23  LEU   7          3HD2      LEU   7   8.528   4.024   3.409
   44    H    THR   8           HN       THR   8  12.903   2.947   1.690
   45    HA   THR   8           HA       THR   8  14.878   1.180   0.885
   46    HB   THR   8           HB       THR   8  15.170   3.253   2.226
   47    HG1  THR   8           HG1      THR   8  16.776   1.538   2.172
   48   HG21  THR   8          1HG2      THR   8  13.559   1.681   4.110
   49   HG22  THR   8          2HG2      THR   8  13.777   3.428   4.002
   50   HG23  THR   8          3HG2      THR   8  14.964   2.443   4.855
   51    H    CYS   9           HN       CYS   9  15.991  -0.540   2.310
   52    HA   CYS   9           HA       CYS   9  13.971  -2.536   3.086
   53    HB2  CYS   9           HB3      CYS   9  16.935  -2.430   2.612
   54    HB3  CYS   9           HB2      CYS   9  16.236  -3.826   3.440
   55    H    HIS  10           HN       HIS  10  15.279  -0.001   4.697
   56    HA   HIS  10           HA       HIS  10  15.760  -1.432   7.258
   57    HB2  HIS  10           HB3      HIS  10  17.085   0.570   6.148
   58    HB3  HIS  10           HB2      HIS  10  15.798   1.548   6.864
   59    HD1  HIS  10           HD1      HIS  10  18.885  -0.291   7.701
   60    HD2  HIS  10           HD2      HIS  10  15.621   1.263   9.777
   61    HE1  HIS  10           HE1      HIS  10  19.550  -0.236  10.145
   62    H    CYS  11           HN       CYS  11  13.383   0.469   5.577
   63    HA   CYS  11           HA       CYS  11  11.802   1.113   7.965
   64    HB2  CYS  11           HB3      CYS  11  11.187   2.711   6.477
   65    HB3  CYS  11           HB2      CYS  11  12.064   1.880   5.198
   66    H    VAL  12           HN       VAL  12  11.706  -1.127   5.253
   67    HA   VAL  12           HA       VAL  12   9.980  -2.736   4.722
   68    HB   VAL  12           HB       VAL  12  12.153  -3.589   5.714
   69   HG11  VAL  12          1HG1      VAL  12  12.394  -3.896   7.942
   70   HG12  VAL  12          2HG1      VAL  12  10.782  -4.592   8.103
   71   HG13  VAL  12          3HG1      VAL  12  10.991  -2.840   8.110
   72   HG21  VAL  12          1HG2      VAL  12  11.241  -5.496   4.934
   73   HG22  VAL  12          2HG2      VAL  12   9.615  -4.930   5.320
   74   HG23  VAL  12          3HG2      VAL  12  10.571  -5.768   6.542
   75    H    ILE  13           HN       ILE  13   7.897  -1.694   5.200
   76    HA   ILE  13           HA       ILE  13   6.844  -2.073   7.958
   77    HB   ILE  13           HB       ILE  13   5.830  -0.831   5.395
   78   HG12  ILE  13          HG13      ILE  13   5.591   0.838   7.671
   79   HG13  ILE  13          HG12      ILE  13   7.180   0.073   7.764
   80   HG21  ILE  13          1HG2      ILE  13   3.712  -1.213   6.049
   81   HG22  ILE  13          2HG2      ILE  13   4.036  -0.228   7.476
   82   HG23  ILE  13          3HG2      ILE  13   4.266  -1.976   7.541
   83   HD11  ILE  13          1HD1      ILE  13   6.056   1.837   5.618
   84   HD12  ILE  13          2HD1      ILE  13   7.309   0.663   5.220
   85   HD13  ILE  13          3HD1      ILE  13   7.626   1.919   6.417
   86    H    TYR  14           HN       TYR  14   7.464  -4.443   7.264
   87    HA   TYR  14           HA       TYR  14   6.355  -6.219   5.619
   88    HB2  TYR  14           HB2      TYR  14   6.587  -7.812   7.341
   89    HB3  TYR  14           HB3      TYR  14   7.629  -6.488   7.869
   90    HD1  TYR  14           HD1      TYR  14   6.047  -4.518   9.077
   91    HD2  TYR  14           HD2      TYR  14   5.380  -8.762   9.089
   92    HE1  TYR  14           HE1      TYR  14   4.724  -4.304  11.163
   93    HE2  TYR  14           HE2      TYR  14   4.057  -8.547  11.176
   94    HH   TYR  14           HH       TYR  14   3.102  -7.121  12.605
  Start of MODEL   27
    1    H1   GLY   1           HT1      GLY   1  10.251  -8.351  -0.385
    2    H2   GLY   1           HT2      GLY   1  11.534  -7.478  -1.079
    3    H3   GLY   1           HT3      GLY   1  10.306  -6.663  -0.233
    4    HA2  GLY   1           HA2      GLY   1  11.233  -8.461   1.591
    5    HA3  GLY   1           HA1      GLY   1  12.684  -7.907   0.756
    6    H    CYS   2           HN       CYS   2  11.767  -5.275   0.109
    7    HA   CYS   2           HA       CYS   2  12.306  -3.945   2.636
    8    HB2  CYS   2           HB3      CYS   2  11.341  -2.736   0.032
    9    HB3  CYS   2           HB2      CYS   2  12.369  -1.988   1.256
   10    H    CYS   3           HN       CYS   3  10.311  -1.739   1.619
   11    HA   CYS   3           HA       CYS   3   8.043  -2.728   3.274
   12    HB2  CYS   3           HB3      CYS   3   8.078   0.034   2.151
   13    HB3  CYS   3           HB2      CYS   3   7.680  -0.507   3.780
   14    HA   PRO   4           HA       PRO   4   5.295  -2.999  -0.149
   15    HB2  PRO   4           HB3      PRO   4   2.969  -1.990   0.871
   16    HB3  PRO   4           HB2      PRO   4   3.642  -3.553   1.382
   17    HG2  PRO   4           HG2      PRO   4   3.652  -0.945   2.778
   18    HG3  PRO   4           HG3      PRO   4   3.612  -2.584   3.441
   19    HD2  PRO   4           HD2      PRO   4   5.852  -0.930   3.305
   20    HD3  PRO   4           HD3      PRO   4   5.870  -2.687   3.583
   21    H    ALA   5           HN       ALA   5   5.853   0.083   1.317
   22    HA   ALA   5           HA       ALA   5   4.466   2.017   0.022
   23    HB1  ALA   5           HB1      ALA   5   7.013   2.958  -0.270
   24    HB2  ALA   5           HB2      ALA   5   7.266   1.629   0.863
   25    HB3  ALA   5           HB3      ALA   5   6.141   2.927   1.262
   26    HA   PRO   6           HA       PRO   6   7.306  -0.075  -0.351
   27    HB2  PRO   6           HB3      PRO   6   9.432  -0.834  -1.853
   28    HB3  PRO   6           HB2      PRO   6   7.888  -1.710  -1.858
   29    HG2  PRO   6           HG2      PRO   6   9.076  -0.023  -3.929
   30    HG3  PRO   6           HG3      PRO   6   7.798  -1.241  -4.060
   31    HD2  PRO   6           HD2      PRO   6   7.528   1.617  -3.953
   32    HD3  PRO   6           HD3      PRO   6   6.253   0.393  -4.128
   33    H    LEU   7           HN       LEU   7   9.262   0.367   0.777
   34    HA   LEU   7           HA       LEU   7  10.645   2.909  -0.024
   35    HB2  LEU   7           HB3      LEU   7   9.153   2.074   2.316
   36    HB3  LEU   7           HB2      LEU   7  10.808   2.485   2.766
   37    HG   LEU   7           HG       LEU   7  10.589   4.655   1.626
   38   HD11  LEU   7          1HD1      LEU   7   8.747   3.522   0.078
   39   HD12  LEU   7          2HD1      LEU   7   8.736   5.259   0.374
   40   HD13  LEU   7          3HD1      LEU   7   7.652   4.202   1.279
   41   HD21  LEU   7          1HD2      LEU   7   8.592   5.514   3.084
   42   HD22  LEU   7          2HD2      LEU   7  10.006   4.844   3.896
   43   HD23  LEU   7          3HD2      LEU   7   8.553   3.863   3.702
   44    H    THR   8           HN       THR   8  12.815   2.960   1.462
   45    HA   THR   8           HA       THR   8  14.661   1.104   0.519
   46    HB   THR   8           HB       THR   8  15.160   3.170   1.799
   47    HG1  THR   8           HG1      THR   8  16.470   1.008   1.855
   48   HG21  THR   8          1HG2      THR   8  13.661   1.665   3.869
   49   HG22  THR   8          2HG2      THR   8  13.755   3.404   3.588
   50   HG23  THR   8          3HG2      THR   8  15.061   2.576   4.436
   51    H    CYS   9           HN       CYS   9  15.609  -0.836   1.549
   52    HA   CYS   9           HA       CYS   9  13.585  -2.601   2.665
   53    HB2  CYS   9           HB3      CYS   9  16.202  -2.717   1.469
   54    HB3  CYS   9           HB2      CYS   9  16.190  -3.687   2.947
   55    H    HIS  10           HN       HIS  10  15.304  -0.161   4.087
   56    HA   HIS  10           HA       HIS  10  15.902  -1.547   6.634
   57    HB2  HIS  10           HB3      HIS  10  17.416   0.173   5.734
   58    HB3  HIS  10           HB2      HIS  10  16.091   1.340   5.696
   59    HD1  HIS  10           HD1      HIS  10  18.548  -0.265   7.981
   60    HD2  HIS  10           HD2      HIS  10  15.220   2.223   8.312
   61    HE1  HIS  10           HE1      HIS  10  18.574   0.656  10.340
   62    H    CYS  11           HN       CYS  11  13.353   0.179   5.101
   63    HA   CYS  11           HA       CYS  11  12.022   0.982   7.611
   64    HB2  CYS  11           HB3      CYS  11  11.309   2.559   6.136
   65    HB3  CYS  11           HB2      CYS  11  12.038   1.670   4.803
   66    H    VAL  12           HN       VAL  12  11.696  -1.351   4.988
   67    HA   VAL  12           HA       VAL  12   9.981  -3.016   4.657
   68    HB   VAL  12           HB       VAL  12  12.122  -3.879   5.613
   69   HG11  VAL  12          1HG1      VAL  12  12.578  -3.706   7.814
   70   HG12  VAL  12          2HG1      VAL  12  11.058  -4.493   8.239
   71   HG13  VAL  12          3HG1      VAL  12  11.106  -2.750   7.984
   72   HG21  VAL  12          1HG2      VAL  12  11.237  -6.054   6.196
   73   HG22  VAL  12          2HG2      VAL  12  10.177  -5.358   4.970
   74   HG23  VAL  12          3HG2      VAL  12   9.688  -5.353   6.664
   75    H    ILE  13           HN       ILE  13   7.927  -1.963   5.064
   76    HA   ILE  13           HA       ILE  13   6.908  -1.924   7.845
   77    HB   ILE  13           HB       ILE  13   5.839  -1.105   5.133
   78   HG12  ILE  13          HG13      ILE  13   7.550   0.372   6.036
   79   HG13  ILE  13          HG12      ILE  13   5.983   1.167   6.190
   80   HG21  ILE  13          1HG2      ILE  13   4.401  -1.675   7.584
   81   HG22  ILE  13          2HG2      ILE  13   3.765  -1.214   6.005
   82   HG23  ILE  13          3HG2      ILE  13   4.252   0.031   7.157
   83   HD11  ILE  13          1HD1      ILE  13   7.609  -0.187   8.345
   84   HD12  ILE  13          2HD1      ILE  13   5.889   0.145   8.550
   85   HD13  ILE  13          3HD1      ILE  13   7.021   1.475   8.304
   86    H    TYR  14           HN       TYR  14   7.375  -4.495   7.471
   87    HA   TYR  14           HA       TYR  14   6.409  -6.645   7.313
   88    HB2  TYR  14           HB2      TYR  14   4.426  -4.687   8.266
   89    HB3  TYR  14           HB3      TYR  14   3.706  -6.157   7.600
   90    HD1  TYR  14           HD1      TYR  14   5.632  -8.235   8.246
   91    HD2  TYR  14           HD2      TYR  14   4.360  -4.878  10.606
   92    HE1  TYR  14           HE1      TYR  14   6.224  -9.466  10.315
   93    HE2  TYR  14           HE2      TYR  14   4.950  -6.111  12.675
   94    HH   TYR  14           HH       TYR  14   5.699  -9.473  12.663
  Start of MODEL   28
    1    H1   GLY   1           HT1      GLY   1  11.701  -1.875  -4.999
    2    H2   GLY   1           HT2      GLY   1  12.043  -3.269  -4.090
    3    H3   GLY   1           HT3      GLY   1  13.167  -1.996  -4.156
    4    HA2  GLY   1           HA2      GLY   1  12.167  -0.837  -2.554
    5    HA3  GLY   1           HA1      GLY   1  10.569  -1.182  -3.221
    6    H    CYS   2           HN       CYS   2  12.022  -1.508  -0.438
    7    HA   CYS   2           HA       CYS   2  11.569  -4.385   0.062
    8    HB2  CYS   2           HB3      CYS   2  13.114  -2.220   1.126
    9    HB3  CYS   2           HB2      CYS   2  12.110  -2.877   2.422
   10    H    CYS   3           HN       CYS   3  10.468  -1.390   1.686
   11    HA   CYS   3           HA       CYS   3   8.270  -2.623   3.062
   12    HB2  CYS   3           HB3      CYS   3   8.322   0.260   2.120
   13    HB3  CYS   3           HB2      CYS   3   7.668  -0.382   3.625
   14    HA   PRO   4           HA       PRO   4   5.215  -2.851  -0.115
   15    HB2  PRO   4           HB3      PRO   4   2.936  -1.817   0.991
   16    HB3  PRO   4           HB2      PRO   4   3.617  -3.385   1.477
   17    HG2  PRO   4           HG2      PRO   4   3.755  -0.756   2.844
   18    HG3  PRO   4           HG3      PRO   4   3.645  -2.383   3.529
   19    HD2  PRO   4           HD2      PRO   4   5.954  -0.892   3.389
   20    HD3  PRO   4           HD3      PRO   4   5.904  -2.663   3.538
   21    H    ALA   5           HN       ALA   5   5.979   0.218   1.217
   22    HA   ALA   5           HA       ALA   5   4.462   2.098  -0.124
   23    HB1  ALA   5           HB1      ALA   5   6.012   3.132   1.162
   24    HB2  ALA   5           HB2      ALA   5   6.996   3.113  -0.300
   25    HB3  ALA   5           HB3      ALA   5   7.197   1.850   0.916
   26    HA   PRO   6           HA       PRO   6   7.271  -0.127  -0.382
   27    HB2  PRO   6           HB3      PRO   6   9.527  -0.789  -1.729
   28    HB3  PRO   6           HB2      PRO   6   7.996  -1.661  -1.944
   29    HG2  PRO   6           HG2      PRO   6   9.340   0.238  -3.737
   30    HG3  PRO   6           HG3      PRO   6   8.193  -1.058  -4.110
   31    HD2  PRO   6           HD2      PRO   6   7.654   1.717  -3.941
   32    HD3  PRO   6           HD3      PRO   6   6.480   0.400  -4.148
   33    H    LEU   7           HN       LEU   7   9.470   0.079   0.708
   34    HA   LEU   7           HA       LEU   7  10.784   2.703   0.127
   35    HB2  LEU   7           HB3      LEU   7   9.017   2.090   2.263
   36    HB3  LEU   7           HB2      LEU   7  10.635   2.212   2.957
   37    HG   LEU   7           HG       LEU   7  10.953   4.413   2.030
   38   HD11  LEU   7          1HD1      LEU   7   8.529   3.652   0.448
   39   HD12  LEU   7          2HD1      LEU   7  10.024   4.400  -0.104
   40   HD13  LEU   7          3HD1      LEU   7   8.826   5.356   0.771
   41   HD21  LEU   7          1HD2      LEU   7   9.806   4.957   3.925
   42   HD22  LEU   7          2HD2      LEU   7   8.516   3.801   3.590
   43   HD23  LEU   7          3HD2      LEU   7   8.510   5.382   2.808
   44    H    THR   8           HN       THR   8  12.875   2.862   1.463
   45    HA   THR   8           HA       THR   8  14.799   1.030   0.805
   46    HB   THR   8           HB       THR   8  15.108   3.193   1.985
   47    HG1  THR   8           HG1      THR   8  16.790   2.440   3.357
   48   HG21  THR   8          1HG2      THR   8  14.980   2.590   4.667
   49   HG22  THR   8          2HG2      THR   8  13.576   1.734   4.029
   50   HG23  THR   8          3HG2      THR   8  13.741   3.472   3.774
   51    H    CYS   9           HN       CYS   9  15.895  -0.699   2.088
   52    HA   CYS   9           HA       CYS   9  13.969  -2.595   3.195
   53    HB2  CYS   9           HB3      CYS   9  16.945  -2.510   2.702
   54    HB3  CYS   9           HB2      CYS   9  16.195  -3.878   3.532
   55    H    HIS  10           HN       HIS  10  15.378   0.088   4.504
   56    HA   HIS  10           HA       HIS  10  15.975  -1.067   7.165
   57    HB2  HIS  10           HB3      HIS  10  17.386   0.723   6.283
   58    HB3  HIS  10           HB2      HIS  10  15.971   1.747   6.013
   59    HD1  HIS  10           HD1      HIS  10  17.386  -0.179   9.005
   60    HD2  HIS  10           HD2      HIS  10  15.682   3.516   8.100
   61    HE1  HIS  10           HE1      HIS  10  17.323   1.130  11.171
   62    H    CYS  11           HN       CYS  11  13.398   0.407   5.390
   63    HA   CYS  11           HA       CYS  11  11.843   1.094   7.810
   64    HB2  CYS  11           HB3      CYS  11  11.172   2.650   6.289
   65    HB3  CYS  11           HB2      CYS  11  11.956   1.773   4.978
   66    H    VAL  12           HN       VAL  12  12.004  -1.241   5.198
   67    HA   VAL  12           HA       VAL  12  10.380  -2.975   4.678
   68    HB   VAL  12           HB       VAL  12  12.669  -3.350   6.219
   69   HG11  VAL  12          1HG1      VAL  12  10.402  -5.003   7.368
   70   HG12  VAL  12          2HG1      VAL  12  11.387  -3.829   8.240
   71   HG13  VAL  12          3HG1      VAL  12  12.117  -5.318   7.640
   72   HG21  VAL  12          1HG2      VAL  12  11.294  -4.572   4.139
   73   HG22  VAL  12          2HG2      VAL  12  11.415  -5.841   5.359
   74   HG23  VAL  12          3HG2      VAL  12  12.874  -5.053   4.758
   75    H    ILE  13           HN       ILE  13   8.204  -2.579   4.986
   76    HA   ILE  13           HA       ILE  13   7.132  -2.428   7.747
   77    HB   ILE  13           HB       ILE  13   6.453  -1.557   5.074
   78   HG12  ILE  13          HG13      ILE  13   4.913  -0.848   7.548
   79   HG13  ILE  13          HG12      ILE  13   6.609  -0.380   7.420
   80   HG21  ILE  13          1HG2      ILE  13   4.826  -3.336   4.949
   81   HG22  ILE  13          2HG2      ILE  13   3.953  -1.851   5.325
   82   HG23  ILE  13          3HG2      ILE  13   4.284  -3.025   6.598
   83   HD11  ILE  13          1HD1      ILE  13   4.390   0.329   5.480
   84   HD12  ILE  13          2HD1      ILE  13   6.096   0.690   5.215
   85   HD13  ILE  13          3HD1      ILE  13   5.235   1.435   6.562
   86    H    TYR  14           HN       TYR  14   5.235  -3.844   8.321
   87    HA   TYR  14           HA       TYR  14   5.717  -6.550   8.388
   88    HB2  TYR  14           HB2      TYR  14   3.419  -4.755   8.614
   89    HB3  TYR  14           HB3      TYR  14   2.948  -6.376   8.090
   90    HD1  TYR  14           HD1      TYR  14   3.515  -4.389  10.909
   91    HD2  TYR  14           HD2      TYR  14   4.304  -8.329   9.388
   92    HE1  TYR  14           HE1      TYR  14   3.807  -5.227  13.227
   93    HE2  TYR  14           HE2      TYR  14   4.595  -9.165  11.704
   94    HH   TYR  14           HH       TYR  14   3.512  -7.902  14.265
  Start of MODEL   29
    1    H1   GLY   1           HT1      GLY   1  11.512  -2.654  -4.984
    2    H2   GLY   1           HT2      GLY   1   9.938  -2.752  -4.353
    3    H3   GLY   1           HT3      GLY   1  11.040  -4.018  -4.093
    4    HA2  GLY   1           HA2      GLY   1  12.452  -2.103  -3.008
    5    HA3  GLY   1           HA1      GLY   1  10.847  -1.412  -2.782
    6    H    CYS   2           HN       CYS   2  11.869  -1.926  -0.453
    7    HA   CYS   2           HA       CYS   2  11.410  -4.723   0.380
    8    HB2  CYS   2           HB3      CYS   2  12.899  -2.405   1.222
    9    HB3  CYS   2           HB2      CYS   2  11.929  -3.006   2.570
   10    H    CYS   3           HN       CYS   3  10.348  -1.621   1.817
   11    HA   CYS   3           HA       CYS   3   8.066  -2.772   3.147
   12    HB2  CYS   3           HB3      CYS   3   8.229   0.108   2.239
   13    HB3  CYS   3           HB2      CYS   3   7.552  -0.532   3.733
   14    HA   PRO   4           HA       PRO   4   5.078  -2.850  -0.092
   15    HB2  PRO   4           HB3      PRO   4   2.811  -1.901   1.116
   16    HB3  PRO   4           HB2      PRO   4   3.484  -3.510   1.457
   17    HG2  PRO   4           HG2      PRO   4   3.689  -0.998   3.037
   18    HG3  PRO   4           HG3      PRO   4   3.509  -2.670   3.589
   19    HD2  PRO   4           HD2      PRO   4   5.879  -1.309   3.611
   20    HD3  PRO   4           HD3      PRO   4   5.757  -3.078   3.504
   21    H    ALA   5           HN       ALA   5   6.096   0.035   1.335
   22    HA   ALA   5           HA       ALA   5   4.553   2.103   0.297
   23    HB1  ALA   5           HB1      ALA   5   7.127   2.999   0.019
   24    HB2  ALA   5           HB2      ALA   5   7.345   1.612   1.087
   25    HB3  ALA   5           HB3      ALA   5   6.259   2.922   1.552
   26    HA   PRO   6           HA       PRO   6   7.390   0.032  -0.231
   27    HB2  PRO   6           HB3      PRO   6   9.499  -0.618  -1.797
   28    HB3  PRO   6           HB2      PRO   6   7.962  -1.503  -1.848
   29    HG2  PRO   6           HG2      PRO   6   9.123   0.322  -3.815
   30    HG3  PRO   6           HG3      PRO   6   7.859  -0.901  -4.016
   31    HD2  PRO   6           HD2      PRO   6   7.555   1.940  -3.732
   32    HD3  PRO   6           HD3      PRO   6   6.291   0.714  -3.966
   33    H    LEU   7           HN       LEU   7   9.417   0.411   0.868
   34    HA   LEU   7           HA       LEU   7  10.805   2.953   0.083
   35    HB2  LEU   7           HB3      LEU   7   9.208   2.287   2.370
   36    HB3  LEU   7           HB2      LEU   7  10.870   2.541   2.904
   37    HG   LEU   7           HG       LEU   7  10.910   4.696   1.659
   38   HD11  LEU   7          1HD1      LEU   7   7.952   4.155   1.268
   39   HD12  LEU   7          2HD1      LEU   7   9.168   4.020   0.000
   40   HD13  LEU   7          3HD1      LEU   7   8.835   5.584   0.734
   41   HD21  LEU   7          1HD2      LEU   7  10.270   5.582   3.630
   42   HD22  LEU   7          2HD2      LEU   7   9.476   4.066   4.052
   43   HD23  LEU   7          3HD2      LEU   7   8.579   5.324   3.201
   44    H    THR   8           HN       THR   8  12.868   2.984   1.793
   45    HA   THR   8           HA       THR   8  14.763   1.137   0.850
   46    HB   THR   8           HB       THR   8  15.184   3.267   2.068
   47    HG1  THR   8           HG1      THR   8  16.292   0.906   3.172
   48   HG21  THR   8          1HG2      THR   8  13.340   2.530   3.822
   49   HG22  THR   8          2HG2      THR   8  14.677   3.569   4.311
   50   HG23  THR   8          3HG2      THR   8  14.729   1.843   4.663
   51    H    CYS   9           HN       CYS   9  15.847  -0.645   2.110
   52    HA   CYS   9           HA       CYS   9  13.879  -2.518   3.165
   53    HB2  CYS   9           HB3      CYS   9  16.822  -2.449   2.597
   54    HB3  CYS   9           HB2      CYS   9  16.173  -3.767   3.581
   55    H    HIS  10           HN       HIS  10  15.357   0.094   4.560
   56    HA   HIS  10           HA       HIS  10  15.836  -1.143   7.206
   57    HB2  HIS  10           HB3      HIS  10  16.664   1.175   5.738
   58    HB3  HIS  10           HB2      HIS  10  15.864   1.728   7.213
   59    HD1  HIS  10           HD1      HIS  10  18.508  -0.843   6.212
   60    HD2  HIS  10           HD2      HIS  10  17.515   1.622   9.424
   61    HE1  HIS  10           HE1      HIS  10  20.349  -1.126   7.928
   62    H    CYS  11           HN       CYS  11  13.315   0.316   5.397
   63    HA   CYS  11           HA       CYS  11  11.767   1.172   7.764
   64    HB2  CYS  11           HB3      CYS  11  11.160   2.657   6.152
   65    HB3  CYS  11           HB2      CYS  11  11.922   1.680   4.900
   66    H    VAL  12           HN       VAL  12  11.961  -1.406   5.404
   67    HA   VAL  12           HA       VAL  12  10.281  -3.126   4.954
   68    HB   VAL  12           HB       VAL  12  12.444  -3.737   6.148
   69   HG11  VAL  12          1HG1      VAL  12  12.522  -4.007   8.433
   70   HG12  VAL  12          2HG1      VAL  12  10.805  -4.385   8.554
   71   HG13  VAL  12          3HG1      VAL  12  11.326  -2.712   8.359
   72   HG21  VAL  12          1HG2      VAL  12  10.129  -5.244   5.569
   73   HG22  VAL  12          2HG2      VAL  12  10.690  -5.812   7.142
   74   HG23  VAL  12          3HG2      VAL  12  11.774  -5.851   5.753
   75    H    ILE  13           HN       ILE  13   8.241  -1.806   5.328
   76    HA   ILE  13           HA       ILE  13   7.045  -2.076   8.025
   77    HB   ILE  13           HB       ILE  13   6.191  -0.855   5.384
   78   HG12  ILE  13          HG13      ILE  13   7.944   0.288   6.762
   79   HG13  ILE  13          HG12      ILE  13   6.470   1.242   6.600
   80   HG21  ILE  13          1HG2      ILE  13   4.059  -1.068   6.114
   81   HG22  ILE  13          2HG2      ILE  13   4.484   0.110   7.355
   82   HG23  ILE  13          3HG2      ILE  13   4.582  -1.615   7.708
   83   HD11  ILE  13          1HD1      ILE  13   6.262  -0.528   8.877
   84   HD12  ILE  13          2HD1      ILE  13   6.153   1.232   8.829
   85   HD13  ILE  13          3HD1      ILE  13   7.724   0.450   8.998
   86    H    TYR  14           HN       TYR  14   7.604  -4.554   7.029
   87    HA   TYR  14           HA       TYR  14   6.687  -6.576   6.180
   88    HB2  TYR  14           HB2      TYR  14   4.514  -6.949   7.597
   89    HB3  TYR  14           HB3      TYR  14   6.052  -6.723   8.431
   90    HD1  TYR  14           HD1      TYR  14   6.636  -4.460   9.369
   91    HD2  TYR  14           HD2      TYR  14   2.737  -5.368   7.807
   92    HE1  TYR  14           HE1      TYR  14   5.702  -2.488  10.549
   93    HE2  TYR  14           HE2      TYR  14   1.806  -3.395   8.984
   94    HH   TYR  14           HH       TYR  14   2.890  -1.999  11.369
  Start of MODEL   30
    1    H1   GLY   1           HT1      GLY   1  13.023  -0.773  -4.025
    2    H2   GLY   1           HT2      GLY   1  13.445  -1.989  -2.917
    3    H3   GLY   1           HT3      GLY   1  13.174  -0.401  -2.377
    4    HA2  GLY   1           HA2      GLY   1  10.921  -0.563  -2.502
    5    HA3  GLY   1           HA1      GLY   1  11.001  -1.767  -3.789
    6    H    CYS   2           HN       CYS   2  12.098  -1.448  -0.390
    7    HA   CYS   2           HA       CYS   2  11.750  -4.354  -0.008
    8    HB2  CYS   2           HB3      CYS   2  13.390  -2.294   0.967
    9    HB3  CYS   2           HB2      CYS   2  12.400  -2.800   2.341
   10    H    CYS   3           HN       CYS   3  10.546  -1.387   1.606
   11    HA   CYS   3           HA       CYS   3   8.572  -2.782   3.192
   12    HB2  CYS   3           HB3      CYS   3   8.177   0.058   2.270
   13    HB3  CYS   3           HB2      CYS   3   7.887  -0.643   3.854
   14    HA   PRO   4           HA       PRO   4   5.308  -3.027   0.223
   15    HB2  PRO   4           HB3      PRO   4   3.083  -2.087   1.506
   16    HB3  PRO   4           HB2      PRO   4   3.857  -3.629   1.927
   17    HG2  PRO   4           HG2      PRO   4   3.888  -1.057   3.359
   18    HG3  PRO   4           HG3      PRO   4   4.090  -2.701   3.976
   19    HD2  PRO   4           HD2      PRO   4   6.123  -0.806   3.494
   20    HD3  PRO   4           HD3      PRO   4   6.341  -2.524   3.897
   21    H    ALA   5           HN       ALA   5   6.098   0.036   1.536
   22    HA   ALA   5           HA       ALA   5   4.487   1.938   0.373
   23    HB1  ALA   5           HB1      ALA   5   7.369   1.653   1.009
   24    HB2  ALA   5           HB2      ALA   5   6.208   2.858   1.566
   25    HB3  ALA   5           HB3      ALA   5   6.934   3.006  -0.033
   26    HA   PRO   6           HA       PRO   6   7.286  -0.217  -0.155
   27    HB2  PRO   6           HB3      PRO   6   9.278  -1.045  -1.796
   28    HB3  PRO   6           HB2      PRO   6   7.699  -1.850  -1.731
   29    HG2  PRO   6           HG2      PRO   6   8.844  -0.172  -3.829
   30    HG3  PRO   6           HG3      PRO   6   7.515  -1.337  -3.914
   31    HD2  PRO   6           HD2      PRO   6   7.365   1.524  -3.741
   32    HD3  PRO   6           HD3      PRO   6   6.033   0.355  -3.865
   33    H    LEU   7           HN       LEU   7   9.350   0.153   0.871
   34    HA   LEU   7           HA       LEU   7  10.801   2.598  -0.105
   35    HB2  LEU   7           HB3      LEU   7   9.305   2.062   2.294
   36    HB3  LEU   7           HB2      LEU   7  10.995   2.344   2.711
   37    HG   LEU   7           HG       LEU   7  11.004   4.469   1.579
   38   HD11  LEU   7          1HD1      LEU   7   8.355   4.908   0.780
   39   HD12  LEU   7          2HD1      LEU   7   8.731   3.282   0.216
   40   HD13  LEU   7          3HD1      LEU   7   9.738   4.638  -0.282
   41   HD21  LEU   7          1HD2      LEU   7   8.356   4.280   3.045
   42   HD22  LEU   7          2HD2      LEU   7   9.400   5.694   2.905
   43   HD23  LEU   7          3HD2      LEU   7   9.916   4.310   3.868
   44    H    THR   8           HN       THR   8  12.882   2.621   1.655
   45    HA   THR   8           HA       THR   8  14.729   0.710   0.695
   46    HB   THR   8           HB       THR   8  15.178   2.901   1.826
   47    HG1  THR   8           HG1      THR   8  17.049   2.186   2.628
   48   HG21  THR   8          1HG2      THR   8  14.442   3.319   3.921
   49   HG22  THR   8          2HG2      THR   8  15.123   1.809   4.529
   50   HG23  THR   8          3HG2      THR   8  13.520   1.820   3.796
   51    H    CYS   9           HN       CYS   9  15.922  -0.877   2.228
   52    HA   CYS   9           HA       CYS   9  13.986  -2.796   3.280
   53    HB2  CYS   9           HB3      CYS   9  16.988  -2.645   2.999
   54    HB3  CYS   9           HB2      CYS   9  16.187  -4.025   3.763
   55    H    HIS  10           HN       HIS  10  15.341  -0.052   4.560
   56    HA   HIS  10           HA       HIS  10  15.716  -1.110   7.298
   57    HB2  HIS  10           HB3      HIS  10  17.062   0.741   6.060
   58    HB3  HIS  10           HB2      HIS  10  15.670   1.777   6.392
   59    HD1  HIS  10           HD1      HIS  10  17.598   3.044   7.915
   60    HD2  HIS  10           HD2      HIS  10  16.195  -0.626   9.310
   61    HE1  HIS  10           HE1      HIS  10  18.223   2.923  10.367
   62    H    CYS  11           HN       CYS  11  13.354   0.522   5.306
   63    HA   CYS  11           HA       CYS  11  11.636   1.205   7.609
   64    HB2  CYS  11           HB3      CYS  11  11.158   2.870   6.158
   65    HB3  CYS  11           HB2      CYS  11  12.082   2.067   4.895
   66    H    VAL  12           HN       VAL  12  12.122  -1.405   5.438
   67    HA   VAL  12           HA       VAL  12   9.941  -2.635   4.606
   68    HB   VAL  12           HB       VAL  12  12.235  -3.541   6.246
   69   HG11  VAL  12          1HG1      VAL  12  11.192  -5.963   5.952
   70   HG12  VAL  12          2HG1      VAL  12   9.669  -5.083   6.085
   71   HG13  VAL  12          3HG1      VAL  12  10.848  -5.010   7.396
   72   HG21  VAL  12          1HG2      VAL  12  11.241  -3.636   3.539
   73   HG22  VAL  12          2HG2      VAL  12  11.638  -5.265   4.088
   74   HG23  VAL  12          3HG2      VAL  12  12.861  -3.996   4.135
   75    H    ILE  13           HN       ILE  13   7.977  -1.820   5.461
   76    HA   ILE  13           HA       ILE  13   7.357  -2.573   8.299
   77    HB   ILE  13           HB       ILE  13   7.072  -0.226   7.762
   78   HG12  ILE  13          HG13      ILE  13   4.236  -0.737   7.571
   79   HG13  ILE  13          HG12      ILE  13   4.980  -1.913   8.655
   80   HG21  ILE  13          1HG2      ILE  13   5.408   0.410   5.960
   81   HG22  ILE  13          2HG2      ILE  13   5.441  -1.272   5.437
   82   HG23  ILE  13          3HG2      ILE  13   6.908  -0.297   5.366
   83   HD11  ILE  13          1HD1      ILE  13   4.560  -0.144  10.114
   84   HD12  ILE  13          2HD1      ILE  13   4.890   1.078   8.887
   85   HD13  ILE  13          3HD1      ILE  13   6.221   0.190   9.625
   86    H    TYR  14           HN       TYR  14   7.126  -4.873   7.382
   87    HA   TYR  14           HA       TYR  14   5.081  -5.613   5.547
   88    HB2  TYR  14           HB2      TYR  14   5.488  -7.806   6.396
   89    HB3  TYR  14           HB3      TYR  14   7.019  -6.947   6.588
   90    HD1  TYR  14           HD1      TYR  14   4.324  -8.672   8.274
   91    HD2  TYR  14           HD2      TYR  14   7.574  -5.923   8.854
   92    HE1  TYR  14           HE1      TYR  14   4.261  -9.112  10.713
   93    HE2  TYR  14           HE2      TYR  14   7.510  -6.364  11.295
   94    HH   TYR  14           HH       TYR  14   6.682  -8.414  12.769
  Start of MODEL   31
    1    H1   GLY   1           HT1      GLY   1  12.600  -1.725  -3.408
    2    H2   GLY   1           HT2      GLY   1  11.082  -1.122  -2.940
    3    H3   GLY   1           HT3      GLY   1  11.360  -2.797  -2.973
    4    HA2  GLY   1           HA2      GLY   1  13.317  -1.937  -1.324
    5    HA3  GLY   1           HA1      GLY   1  11.968  -0.871  -0.925
    6    H    CYS   2           HN       CYS   2  12.592  -2.499   1.073
    7    HA   CYS   2           HA       CYS   2  11.248  -5.089   0.925
    8    HB2  CYS   2           HB3      CYS   2  12.530  -3.426   3.099
    9    HB3  CYS   2           HB2      CYS   2  11.750  -4.961   3.444
   10    H    CYS   3           HN       CYS   3  10.255  -1.820   1.608
   11    HA   CYS   3           HA       CYS   3   7.944  -2.642   3.262
   12    HB2  CYS   3           HB3      CYS   3   8.078   0.051   1.967
   13    HB3  CYS   3           HB2      CYS   3   7.646  -0.373   3.621
   14    HA   PRO   4           HA       PRO   4   5.113  -2.975  -0.099
   15    HB2  PRO   4           HB3      PRO   4   2.838  -1.840   0.909
   16    HB3  PRO   4           HB2      PRO   4   3.468  -3.399   1.485
   17    HG2  PRO   4           HG2      PRO   4   3.571  -0.733   2.757
   18    HG3  PRO   4           HG3      PRO   4   3.523  -2.338   3.496
   19    HD2  PRO   4           HD2      PRO   4   5.790  -0.720   3.210
   20    HD3  PRO   4           HD3      PRO   4   5.783  -2.453   3.611
   21    H    ALA   5           HN       ALA   5   5.561   0.193   1.311
   22    HA   ALA   5           HA       ALA   5   4.237   2.031  -0.178
   23    HB1  ALA   5           HB1      ALA   5   6.776   3.044  -0.265
   24    HB2  ALA   5           HB2      ALA   5   6.940   1.787   0.961
   25    HB3  ALA   5           HB3      ALA   5   5.744   3.068   1.165
   26    HA   PRO   6           HA       PRO   6   7.180   0.018  -0.220
   27    HB2  PRO   6           HB3      PRO   6   9.483  -0.654  -1.486
   28    HB3  PRO   6           HB2      PRO   6   7.989  -1.597  -1.661
   29    HG2  PRO   6           HG2      PRO   6   9.314   0.169  -3.581
   30    HG3  PRO   6           HG3      PRO   6   8.155  -1.139  -3.858
   31    HD2  PRO   6           HD2      PRO   6   7.662   1.679  -3.827
   32    HD3  PRO   6           HD3      PRO   6   6.495   0.366  -4.085
   33    H    LEU   7           HN       LEU   7   9.437   0.334   0.775
   34    HA   LEU   7           HA       LEU   7  10.554   3.035   0.141
   35    HB2  LEU   7           HB3      LEU   7   9.016   2.206   2.403
   36    HB3  LEU   7           HB2      LEU   7  10.667   2.504   2.951
   37    HG   LEU   7           HG       LEU   7  10.655   4.731   2.030
   38   HD11  LEU   7          1HD1      LEU   7   9.544   4.626  -0.008
   39   HD12  LEU   7          2HD1      LEU   7   8.314   5.417   0.981
   40   HD13  LEU   7          3HD1      LEU   7   8.210   3.688   0.656
   41   HD21  LEU   7          1HD2      LEU   7   9.617   5.198   3.995
   42   HD22  LEU   7          2HD2      LEU   7   8.508   3.836   3.832
   43   HD23  LEU   7          3HD2      LEU   7   8.153   5.365   3.026
   44    H    THR   8           HN       THR   8  12.720   3.226   1.571
   45    HA   THR   8           HA       THR   8  14.690   1.529   0.643
   46    HB   THR   8           HB       THR   8  15.179   3.508   1.951
   47    HG1  THR   8           HG1      THR   8  16.622   1.668   2.137
   48   HG21  THR   8          1HG2      THR   8  14.613   3.686   4.315
   49   HG22  THR   8          2HG2      THR   8  13.937   2.059   4.304
   50   HG23  THR   8          3HG2      THR   8  13.151   3.346   3.391
   51    H    CYS   9           HN       CYS   9  15.611  -0.492   1.399
   52    HA   CYS   9           HA       CYS   9  13.691  -2.326   2.501
   53    HB2  CYS   9           HB3      CYS   9  16.350  -2.341   1.342
   54    HB3  CYS   9           HB2      CYS   9  16.209  -3.502   2.670
   55    H    HIS  10           HN       HIS  10  15.428   0.017   4.061
   56    HA   HIS  10           HA       HIS  10  15.970  -1.545   6.511
   57    HB2  HIS  10           HB3      HIS  10  16.248   1.376   5.714
   58    HB3  HIS  10           HB2      HIS  10  16.775   0.717   7.264
   59    HD1  HIS  10           HD1      HIS  10  19.119  -0.142   7.325
   60    HD2  HIS  10           HD2      HIS  10  17.611  -0.068   3.438
   61    HE1  HIS  10           HE1      HIS  10  21.020  -0.840   5.805
   62    H    CYS  11           HN       CYS  11  13.422   0.128   5.000
   63    HA   CYS  11           HA       CYS  11  12.062   0.948   7.489
   64    HB2  CYS  11           HB3      CYS  11  11.391   2.508   5.980
   65    HB3  CYS  11           HB2      CYS  11  12.076   1.573   4.654
   66    H    VAL  12           HN       VAL  12  11.646  -1.325   4.801
   67    HA   VAL  12           HA       VAL  12   9.883  -2.959   4.516
   68    HB   VAL  12           HB       VAL  12  12.103  -3.861   5.270
   69   HG11  VAL  12          1HG1      VAL  12  11.053  -4.522   7.944
   70   HG12  VAL  12          2HG1      VAL  12  11.399  -2.808   7.709
   71   HG13  VAL  12          3HG1      VAL  12  12.671  -4.007   7.465
   72   HG21  VAL  12          1HG2      VAL  12   9.820  -5.193   4.856
   73   HG22  VAL  12          2HG2      VAL  12  10.027  -5.585   6.564
   74   HG23  VAL  12          3HG2      VAL  12  11.280  -6.020   5.401
   75    H    ILE  13           HN       ILE  13   7.889  -1.832   5.176
   76    HA   ILE  13           HA       ILE  13   7.186  -1.980   8.051
   77    HB   ILE  13           HB       ILE  13   6.692  -0.163   6.124
   78   HG12  ILE  13          HG13      ILE  13   6.272   0.282   8.435
   79   HG13  ILE  13          HG12      ILE  13   4.748   0.575   7.596
   80   HG21  ILE  13          1HG2      ILE  13   5.049  -2.168   5.235
   81   HG22  ILE  13          2HG2      ILE  13   4.787  -0.457   4.915
   82   HG23  ILE  13          3HG2      ILE  13   3.946  -1.242   6.251
   83   HD11  ILE  13          1HD1      ILE  13   4.405  -0.760   9.657
   84   HD12  ILE  13          2HD1      ILE  13   5.492  -1.996   9.024
   85   HD13  ILE  13          3HD1      ILE  13   3.959  -1.673   8.214
   86    H    TYR  14           HN       TYR  14   7.549  -4.479   6.475
   87    HA   TYR  14           HA       TYR  14   6.502  -6.585   6.359
   88    HB2  TYR  14           HB2      TYR  14   5.762  -5.485   8.667
   89    HB3  TYR  14           HB3      TYR  14   4.182  -5.446   7.879
   90    HD1  TYR  14           HD1      TYR  14   5.183  -8.040   6.156
   91    HD2  TYR  14           HD2      TYR  14   4.687  -7.083  10.316
   92    HE1  TYR  14           HE1      TYR  14   4.855 -10.444   6.672
   93    HE2  TYR  14           HE2      TYR  14   4.361  -9.485  10.831
   94    HH   TYR  14           HH       TYR  14   5.265 -11.844   9.245
  Start of MODEL   32
    1    H1   GLY   1           HT1      GLY   1  13.267  -2.128  -4.157
    2    H2   GLY   1           HT2      GLY   1  11.853  -2.445  -5.045
    3    H3   GLY   1           HT3      GLY   1  12.449  -3.599  -3.950
    4    HA2  GLY   1           HA2      GLY   1  12.012  -1.090  -2.670
    5    HA3  GLY   1           HA1      GLY   1  10.545  -1.701  -3.437
    6    H    CYS   2           HN       CYS   2  12.042  -1.711  -0.563
    7    HA   CYS   2           HA       CYS   2  11.684  -4.567   0.098
    8    HB2  CYS   2           HB3      CYS   2  13.145  -2.283   1.050
    9    HB3  CYS   2           HB2      CYS   2  12.200  -2.962   2.379
   10    H    CYS   3           HN       CYS   3  10.511  -1.546   1.639
   11    HA   CYS   3           HA       CYS   3   8.312  -2.874   2.972
   12    HB2  CYS   3           HB3      CYS   3   8.283   0.046   2.211
   13    HB3  CYS   3           HB2      CYS   3   7.717  -0.709   3.696
   14    HA   PRO   4           HA       PRO   4   5.299  -2.930  -0.238
   15    HB2  PRO   4           HB3      PRO   4   3.002  -2.222   1.073
   16    HB3  PRO   4           HB2      PRO   4   3.789  -3.801   1.292
   17    HG2  PRO   4           HG2      PRO   4   3.854  -1.394   3.037
   18    HG3  PRO   4           HG3      PRO   4   3.810  -3.108   3.477
   19    HD2  PRO   4           HD2      PRO   4   6.075  -1.566   3.536
   20    HD3  PRO   4           HD3      PRO   4   6.078  -3.332   3.335
   21    H    ALA   5           HN       ALA   5   6.186  -0.082   1.335
   22    HA   ALA   5           HA       ALA   5   4.468   1.939   0.499
   23    HB1  ALA   5           HB1      ALA   5   6.173   2.774   1.750
   24    HB2  ALA   5           HB2      ALA   5   6.933   3.054   0.184
   25    HB3  ALA   5           HB3      ALA   5   7.335   1.610   1.115
   26    HA   PRO   6           HA       PRO   6   7.344   0.023  -0.320
   27    HB2  PRO   6           HB3      PRO   6   9.395  -0.441  -2.034
   28    HB3  PRO   6           HB2      PRO   6   7.881  -1.369  -2.063
   29    HG2  PRO   6           HG2      PRO   6   8.882   0.614  -3.960
   30    HG3  PRO   6           HG3      PRO   6   7.622  -0.612  -4.168
   31    HD2  PRO   6           HD2      PRO   6   7.310   2.201  -3.649
   32    HD3  PRO   6           HD3      PRO   6   6.049   0.980  -3.928
   33    H    LEU   7           HN       LEU   7   9.341   0.385   0.771
   34    HA   LEU   7           HA       LEU   7  10.642   3.029   0.201
   35    HB2  LEU   7           HB3      LEU   7   9.174   2.022   2.463
   36    HB3  LEU   7           HB2      LEU   7  10.845   2.318   2.949
   37    HG   LEU   7           HG       LEU   7  10.740   4.602   2.204
   38   HD11  LEU   7          1HD1      LEU   7   8.664   3.539   0.528
   39   HD12  LEU   7          2HD1      LEU   7   9.478   5.095   0.406
   40   HD13  LEU   7          3HD1      LEU   7   8.036   4.927   1.407
   41   HD21  LEU   7          1HD2      LEU   7   8.487   5.311   3.403
   42   HD22  LEU   7          2HD2      LEU   7   9.800   4.593   4.340
   43   HD23  LEU   7          3HD2      LEU   7   8.428   3.604   3.839
   44    H    THR   8           HN       THR   8  12.672   2.769   2.132
   45    HA   THR   8           HA       THR   8  14.570   1.065   0.790
   46    HB   THR   8           HB       THR   8  15.140   3.134   1.993
   47    HG1  THR   8           HG1      THR   8  16.423   1.422   3.671
   48   HG21  THR   8          1HG2      THR   8  13.830   1.652   4.230
   49   HG22  THR   8          2HG2      THR   8  13.735   3.362   3.810
   50   HG23  THR   8          3HG2      THR   8  15.166   2.733   4.628
   51    H    CYS   9           HN       CYS   9  15.897  -0.565   2.240
   52    HA   CYS   9           HA       CYS   9  14.013  -2.616   3.156
   53    HB2  CYS   9           HB3      CYS   9  16.981  -2.368   2.719
   54    HB3  CYS   9           HB2      CYS   9  16.309  -3.790   3.527
   55    H    HIS  10           HN       HIS  10  15.433   0.026   4.623
   56    HA   HIS  10           HA       HIS  10  15.824  -1.255   7.266
   57    HB2  HIS  10           HB3      HIS  10  17.397   0.450   6.706
   58    HB3  HIS  10           HB2      HIS  10  16.134   1.512   6.076
   59    HD1  HIS  10           HD1      HIS  10  17.660   0.300   9.290
   60    HD2  HIS  10           HD2      HIS  10  14.710   2.974   8.057
   61    HE1  HIS  10           HE1      HIS  10  17.049   1.679  11.323
   62    H    CYS  11           HN       CYS  11  13.383   0.264   5.388
   63    HA   CYS  11           HA       CYS  11  11.762   1.111   7.708
   64    HB2  CYS  11           HB3      CYS  11  11.237   2.629   6.107
   65    HB3  CYS  11           HB2      CYS  11  12.056   1.675   4.875
   66    H    VAL  12           HN       VAL  12  12.042  -1.483   5.397
   67    HA   VAL  12           HA       VAL  12  10.250  -3.083   4.820
   68    HB   VAL  12           HB       VAL  12  12.438  -3.752   6.034
   69   HG11  VAL  12          1HG1      VAL  12  11.240  -3.050   8.295
   70   HG12  VAL  12          2HG1      VAL  12  12.369  -4.406   8.255
   71   HG13  VAL  12          3HG1      VAL  12  10.630  -4.704   8.221
   72   HG21  VAL  12          1HG2      VAL  12   9.941  -5.459   5.949
   73   HG22  VAL  12          2HG2      VAL  12  11.534  -6.121   6.318
   74   HG23  VAL  12          3HG2      VAL  12  11.232  -5.371   4.750
   75    H    ILE  13           HN       ILE  13   8.219  -1.856   5.216
   76    HA   ILE  13           HA       ILE  13   7.042  -2.103   7.922
   77    HB   ILE  13           HB       ILE  13   6.127  -0.962   5.265
   78   HG12  ILE  13          HG13      ILE  13   7.882   0.307   6.416
   79   HG13  ILE  13          HG12      ILE  13   6.355   1.184   6.500
   80   HG21  ILE  13          1HG2      ILE  13   4.628  -0.200   7.672
   81   HG22  ILE  13          2HG2      ILE  13   4.438  -1.900   7.244
   82   HG23  ILE  13          3HG2      ILE  13   4.033  -0.644   6.074
   83   HD11  ILE  13          1HD1      ILE  13   7.000   1.313   8.718
   84   HD12  ILE  13          2HD1      ILE  13   7.850  -0.231   8.670
   85   HD13  ILE  13          3HD1      ILE  13   6.090  -0.198   8.759
   86    H    TYR  14           HN       TYR  14   6.820  -4.368   8.150
   87    HA   TYR  14           HA       TYR  14   6.043  -6.378   6.519
   88    HB2  TYR  14           HB2      TYR  14   6.361  -6.756   8.849
   89    HB3  TYR  14           HB3      TYR  14   5.064  -5.634   9.282
   90    HD1  TYR  14           HD1      TYR  14   2.705  -6.262   9.014
   91    HD2  TYR  14           HD2      TYR  14   5.868  -9.006   8.045
   92    HE1  TYR  14           HE1      TYR  14   1.072  -8.128   8.960
   93    HE2  TYR  14           HE2      TYR  14   4.233 -10.871   7.991
   94    HH   TYR  14           HH       TYR  14   0.756 -10.278   8.444