*HEADER    HORMONE                                 19-MAR-19   6R2X              
*TITLE     NMR STRUCTURE OF CHROMOGRANIN A (F39-D63)                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CHROMOGRANIN-A;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CGA,PITUITARY SECRETORY PROTEIN I,SP-I;                     
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: CHGA;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    FRAGMENT OF CHROMOGRANIN A, LIGAND OF ALPHA V BETA 6, INTERACTORS,    
*KEYWDS   2 HORMONE                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    F.NARDELLI,G.QUILICI,M.GHITTI,F.CURNIS,A.GORI,A.BERARDI,A.CORTI,      
*AUTHOR   2 G.MUSCO                                                              
*REVDAT   1   04-DEC-19 6R2X    0                                                
# Restraints file 1: talos_phi.tbl
! using 1.5 times the talos error! 
!    8 E 	TALOS PHI = -64.13 +/-  6.90  
ASSIGN (resid    7 and name C ) (resid    8 and name N )
       (resid    8 and name CA) (resid    8 and name C )  1.00  -64.13   10.34   2

!    9 R 	TALOS PHI = -67.36 +/-  9.05  
ASSIGN (resid    8 and name C ) (resid    9 and name N )
       (resid    9 and name CA) (resid    9 and name C )  1.00  -67.36   13.58   2

!   10 I 	TALOS PHI = -72.09 +/-  5.30  
ASSIGN (resid    9 and name C ) (resid   10 and name N )
       (resid   10 and name CA) (resid   10 and name C )  1.00  -72.09   7.96   2

!   12 S 	TALOS PHI = -67.38 +/-  5.32  
ASSIGN (resid   11 and name C ) (resid   12 and name N )
       (resid   12 and name CA) (resid   12 and name C )  1.00  -67.38   7.98   2

!   13 I 	TALOS PHI = -69.03 +/-  4.74  
ASSIGN (resid   12 and name C ) (resid   13 and name N )
       (resid   13 and name CA) (resid   13 and name C )  1.00  -69.03   7.11   2

!   14 L 	TALOS PHI = -69.28 +/-  5.17  
ASSIGN (resid   13 and name C ) (resid   14 and name N )
       (resid   14 and name CA) (resid   14 and name C )  1.00  -69.28   7.75   2

!   15 R 	TALOS PHI = -69.13 +/-  6.00  
ASSIGN (resid   14 and name C ) (resid   15 and name N )
       (resid   15 and name CA) (resid   15 and name C )  1.00  -69.13   9.00   2

# Restraints file 2: talos_psi.tbl
! using 1.5 times the talos error! 
!    8 E 	TALOS PSI = -32.03 +/-  5.93  
ASSIGN (resid    8 and name N ) (resid    8 and name CA )
       (resid    8 and name C) (resid    9 and name N )  1.00  -32.03   8.90   2

!    9 R 	TALOS PSI = -36.34 +/-  9.15  
ASSIGN (resid    9 and name N ) (resid    9 and name CA )
       (resid    9 and name C) (resid   10 and name N )  1.00  -36.34   13.73   2

!   10 I 	TALOS PSI = -33.87 +/-  7.29  
ASSIGN (resid   10 and name N ) (resid   10 and name CA )
       (resid   10 and name C) (resid   11 and name N )  1.00  -33.87   10.93   2

!   12 S 	TALOS PSI = -36.71 +/-  4.53  
ASSIGN (resid   12 and name N ) (resid   12 and name CA )
       (resid   12 and name C) (resid   13 and name N )  1.00  -36.71   6.79   2

!   13 I 	TALOS PSI = -38.48 +/-  6.41  
ASSIGN (resid   13 and name N ) (resid   13 and name CA )
       (resid   13 and name C) (resid   14 and name N )  1.00  -38.48   9.62   2

!   14 L 	TALOS PSI = -37.67 +/-  6.94  
ASSIGN (resid   14 and name N ) (resid   14 and name CA )
       (resid   14 and name C) (resid   15 and name N )  1.00  -37.67   10.41   2

!   15 R 	TALOS PSI = -32.97 +/-  5.36  
ASSIGN (resid   15 and name N ) (resid   15 and name CA )
       (resid   15 and name C) (resid   16 and name N )  1.00  -32.97   8.04   2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           HT1      PHE   1  19.122  10.058   2.296
    2    H2   PHE   1           HT2      PHE   1  17.940   9.551   3.393
    3    H3   PHE   1           HT3      PHE   1  17.535   9.809   1.772
    4    HA   PHE   1           HA       PHE   1  18.904   7.995   1.069
    5    HB2  PHE   1           HB2      PHE   1  20.632   8.144   2.782
    6    HB3  PHE   1           HB1      PHE   1  19.475   7.705   4.031
    7    HD1  PHE   1           HD1      PHE   1  19.290   5.503   4.681
    8    HD2  PHE   1           HD2      PHE   1  20.979   6.410   0.885
    9    HE1  PHE   1           HE1      PHE   1  19.853   3.130   4.368
   10    HE2  PHE   1           HE2      PHE   1  21.543   4.039   0.564
   11    HZ   PHE   1           HZ       PHE   1  20.996   2.395   2.331
   12    H    GLU   2           HN       GLU   2  17.463   6.542   0.410
   13    HA   GLU   2           HA       GLU   2  15.233   5.833   2.134
   14    HB2  GLU   2           HB2      GLU   2  15.863   5.150  -0.742
   15    HB3  GLU   2           HB1      GLU   2  14.438   4.570   0.107
   16    HG2  GLU   2           HG2      GLU   2  15.132   7.420  -0.551
   17    HG3  GLU   2           HG1      GLU   2  13.828   6.448  -1.229
   18    H    THR   3           HN       THR   3  15.023   3.960   3.169
   19    HA   THR   3           HA       THR   3  17.266   2.149   3.211
   20    HB   THR   3           HB       THR   3  15.741   0.953   4.917
   21    HG1  THR   3           HG1      THR   3  14.067   2.286   5.735
   22   HG21  THR   3          HG21      THR   3  17.656   2.342   5.546
   23   HG22  THR   3          HG22      THR   3  16.318   2.557   6.672
   24   HG23  THR   3          HG23      THR   3  16.648   3.785   5.451
   25    H    LEU   4           HN       LEU   4  17.365   0.894   1.425
   26    HA   LEU   4           HA       LEU   4  15.021  -0.047   0.079
   27    HB2  LEU   4           HB2      LEU   4  17.066   0.512  -1.144
   28    HB3  LEU   4           HB1      LEU   4  17.922  -0.769  -0.310
   29    HG   LEU   4           HG       LEU   4  16.431  -2.430  -1.385
   30   HD11  LEU   4          HD11      LEU   4  14.482  -1.026  -1.738
   31   HD12  LEU   4          HD12      LEU   4  15.026  -1.731  -3.260
   32   HD13  LEU   4          HD13      LEU   4  15.380  -0.043  -2.894
   33   HD21  LEU   4          HD21      LEU   4  18.584  -1.922  -2.376
   34   HD22  LEU   4          HD22      LEU   4  17.881  -0.569  -3.261
   35   HD23  LEU   4          HD23      LEU   4  17.388  -2.219  -3.637
   36    H    ARG   5           HN       ARG   5  13.928  -1.237   1.563
   37    HA   ARG   5           HA       ARG   5  15.174  -3.685   2.594
   38    HB2  ARG   5           HB2      ARG   5  12.609  -2.278   3.332
   39    HB3  ARG   5           HB1      ARG   5  13.155  -3.784   4.049
   40    HG2  ARG   5           HG2      ARG   5  14.771  -2.773   5.290
   41    HG3  ARG   5           HG1      ARG   5  15.003  -1.467   4.124
   42    HD2  ARG   5           HD2      ARG   5  12.515  -1.762   5.791
   43    HD3  ARG   5           HD1      ARG   5  13.911  -0.817   6.308
   44    HE   ARG   5           HE       ARG   5  13.509   0.353   4.016
   45   HH11  ARG   5          HH11      ARG   5  11.024  -0.798   6.213
   46   HH12  ARG   5          HH12      ARG   5   9.869   0.405   5.732
   47   HH21  ARG   5          HH21      ARG   5  12.002   1.938   3.405
   48   HH22  ARG   5          HH22      ARG   5  10.429   1.967   4.139
   49    H    GLY   6           HN       GLY   6  12.997  -2.548   0.243
   50    HA2  GLY   6           HA2      GLY   6  12.003  -3.846  -1.457
   51    HA3  GLY   6           HA1      GLY   6  12.239  -5.278  -0.465
   52    H    ASP   7           HN       ASP   7  11.099  -4.078   1.912
   53    HA   ASP   7           HA       ASP   7   8.458  -4.928   1.598
   54    HB2  ASP   7           HB2      ASP   7   9.741  -3.307   3.792
   55    HB3  ASP   7           HB1      ASP   7   8.082  -3.886   3.863
   56    H    GLU   8           HN       GLU   8   9.856  -1.866   0.933
   57    HA   GLU   8           HA       GLU   8   7.666  -0.172   1.358
   58    HB2  GLU   8           HB2      GLU   8   9.984   0.582   0.830
   59    HB3  GLU   8           HB1      GLU   8   9.739   0.060  -0.832
   60    HG2  GLU   8           HG2      GLU   8   7.849   1.652  -0.995
   61    HG3  GLU   8           HG1      GLU   8   8.250   2.232   0.619
   62    H    ARG   9           HN       ARG   9   8.420  -2.417  -1.206
   63    HA   ARG   9           HA       ARG   9   6.461  -1.573  -3.068
   64    HB2  ARG   9           HB2      ARG   9   7.968  -4.127  -2.633
   65    HB3  ARG   9           HB1      ARG   9   6.667  -4.058  -3.813
   66    HG2  ARG   9           HG2      ARG   9   9.013  -2.179  -3.829
   67    HG3  ARG   9           HG1      ARG   9   8.967  -3.697  -4.727
   68    HD2  ARG   9           HD2      ARG   9   7.088  -1.359  -5.035
   69    HD3  ARG   9           HD1      ARG   9   8.330  -1.871  -6.179
   70    HE   ARG   9           HE       ARG   9   6.776  -4.076  -5.928
   71   HH11  ARG   9          HH11      ARG   9   6.063  -0.726  -6.675
   72   HH12  ARG   9          HH12      ARG   9   4.677  -1.111  -7.642
   73   HH21  ARG   9          HH21      ARG   9   4.959  -4.572  -7.191
   74   HH22  ARG   9          HH22      ARG   9   4.048  -3.297  -7.936
   75    H    ILE  10           HN       ILE  10   6.426  -3.894  -0.428
   76    HA   ILE  10           HA       ILE  10   3.778  -4.810  -0.877
   77    HB   ILE  10           HB       ILE  10   5.426  -4.825   1.661
   78   HG12  ILE  10          HG12      ILE  10   4.864  -7.024  -0.341
   79   HG13  ILE  10          HG11      ILE  10   6.372  -6.123  -0.231
   80   HG21  ILE  10          HG21      ILE  10   3.062  -4.983   2.198
   81   HG22  ILE  10          HG22      ILE  10   3.854  -6.537   2.462
   82   HG23  ILE  10          HG23      ILE  10   2.863  -6.285   1.026
   83   HD11  ILE  10          HD11      ILE  10   6.574  -8.287   0.827
   84   HD12  ILE  10          HD12      ILE  10   5.215  -7.914   1.889
   85   HD13  ILE  10          HD13      ILE  10   6.716  -6.998   2.024
   86    H    LEU  11           HN       LEU  11   5.195  -2.227   1.041
   87    HA   LEU  11           HA       LEU  11   2.928  -1.372   2.419
   88    HB2  LEU  11           HB2      LEU  11   5.310  -0.618   2.752
   89    HB3  LEU  11           HB1      LEU  11   5.131   0.387   1.331
   90    HG   LEU  11           HG       LEU  11   3.338   0.715   3.729
   91   HD11  LEU  11          HD11      LEU  11   5.972   2.076   3.187
   92   HD12  LEU  11          HD12      LEU  11   5.640   0.933   4.489
   93   HD13  LEU  11          HD13      LEU  11   4.833   2.501   4.465
   94   HD21  LEU  11          HD21      LEU  11   3.078   2.981   2.843
   95   HD22  LEU  11          HD22      LEU  11   2.593   1.772   1.655
   96   HD23  LEU  11          HD23      LEU  11   4.151   2.585   1.501
   97    H    SER  12           HN       SER  12   4.163  -0.374  -0.780
   98    HA   SER  12           HA       SER  12   2.059   1.467  -1.228
   99    HB2  SER  12           HB2      SER  12   2.871   1.453  -3.589
  100    HB3  SER  12           HB1      SER  12   4.136   1.756  -2.399
  101    HG   SER  12           HG       SER  12   3.604  -0.659  -3.792
  102    H    ILE  13           HN       ILE  13   2.466  -1.948  -1.954
  103    HA   ILE  13           HA       ILE  13   0.167  -2.179  -3.599
  104    HB   ILE  13           HB       ILE  13   1.535  -4.280  -1.911
  105   HG12  ILE  13          HG12      ILE  13   1.633  -3.782  -4.893
  106   HG13  ILE  13          HG11      ILE  13   2.888  -3.297  -3.757
  107   HG21  ILE  13          HG21      ILE  13  -0.597  -4.599  -4.024
  108   HG22  ILE  13          HG22      ILE  13  -0.770  -4.923  -2.300
  109   HG23  ILE  13          HG23      ILE  13   0.305  -5.921  -3.280
  110   HD11  ILE  13          HD11      ILE  13   2.022  -6.115  -4.355
  111   HD12  ILE  13          HD12      ILE  13   3.252  -5.648  -3.181
  112   HD13  ILE  13          HD13      ILE  13   3.505  -5.332  -4.896
  113    H    LEU  14           HN       LEU  14   0.714  -2.674  -0.132
  114    HA   LEU  14           HA       LEU  14  -1.946  -3.337   0.513
  115    HB2  LEU  14           HB2      LEU  14  -0.009  -3.735   1.993
  116    HB3  LEU  14           HB1      LEU  14   0.144  -2.006   2.239
  117    HG   LEU  14           HG       LEU  14  -2.022  -1.949   3.368
  118   HD11  LEU  14          HD11      LEU  14  -2.060  -4.923   2.869
  119   HD12  LEU  14          HD12      LEU  14  -3.163  -3.728   2.190
  120   HD13  LEU  14          HD13      LEU  14  -3.176  -4.054   3.922
  121   HD21  LEU  14          HD21      LEU  14  -1.396  -3.197   5.370
  122   HD22  LEU  14          HD22      LEU  14  -0.007  -2.358   4.682
  123   HD23  LEU  14          HD23      LEU  14  -0.194  -4.095   4.445
  124    H    ARG  15           HN       ARG  15  -0.243  -0.251   0.281
  125    HA   ARG  15           HA       ARG  15  -2.322   1.420   1.132
  126    HB2  ARG  15           HB2      ARG  15  -0.056   2.251   0.782
  127    HB3  ARG  15           HB1      ARG  15  -0.185   1.933  -0.943
  128    HG2  ARG  15           HG2      ARG  15  -1.966   3.598  -1.116
  129    HG3  ARG  15           HG1      ARG  15  -1.827   3.922   0.613
  130    HD2  ARG  15           HD2      ARG  15   0.480   4.649   0.298
  131    HD3  ARG  15           HD1      ARG  15   0.366   4.292  -1.424
  132    HE   ARG  15           HE       ARG  15  -1.650   6.132  -0.567
  133   HH11  ARG  15          HH11      ARG  15   1.723   5.876  -1.456
  134   HH12  ARG  15          HH12      ARG  15   1.844   7.524  -1.983
  135   HH21  ARG  15          HH21      ARG  15  -1.507   8.295  -1.273
  136   HH22  ARG  15          HH22      ARG  15   0.002   8.901  -1.878
  137    H    HIS  16           HN       HIS  16  -1.644  -0.051  -1.993
  138    HA   HIS  16           HA       HIS  16  -3.769   1.240  -3.379
  139    HB2  HIS  16           HB2      HIS  16  -2.153  -1.233  -3.966
  140    HB3  HIS  16           HB1      HIS  16  -3.489  -0.736  -4.997
  141    HD1  HIS  16           HD1      HIS  16  -1.573  -0.512  -6.858
  142    HD2  HIS  16           HD2      HIS  16  -1.438   2.238  -3.747
  143    HE1  HIS  16           HE1      HIS  16  -0.063   1.329  -7.653
  144    HE2  HIS  16           HE2      HIS  16  -0.144   3.062  -5.826
  145    H    GLN  17           HN       GLN  17  -3.478  -1.796  -1.615
  146    HA   GLN  17           HA       GLN  17  -6.051  -2.803  -2.167
  147    HB2  GLN  17           HB2      GLN  17  -4.359  -3.173   0.316
  148    HB3  GLN  17           HB1      GLN  17  -5.781  -4.121  -0.080
  149    HG2  GLN  17           HG2      GLN  17  -3.154  -4.075  -1.552
  150    HG3  GLN  17           HG1      GLN  17  -3.836  -5.398  -0.609
  151   HE21  GLN  17          HE21      GLN  17  -3.827  -3.748  -3.630
  152   HE22  GLN  17          HE22      GLN  17  -4.871  -4.839  -4.473
  153    H    ASN  18           HN       ASN  18  -4.840  -0.486   0.149
  154    HA   ASN  18           HA       ASN  18  -7.174  -0.250   1.723
  155    HB2  ASN  18           HB2      ASN  18  -5.023   0.532   2.543
  156    HB3  ASN  18           HB1      ASN  18  -4.916   1.703   1.236
  157   HD21  ASN  18          HD21      ASN  18  -5.958   3.649   1.435
  158   HD22  ASN  18          HD22      ASN  18  -6.814   4.127   2.856
  159    H    LEU  19           HN       LEU  19  -6.123   1.290  -1.243
  160    HA   LEU  19           HA       LEU  19  -8.265   3.192  -1.315
  161    HB2  LEU  19           HB2      LEU  19  -6.367   2.237  -3.455
  162    HB3  LEU  19           HB1      LEU  19  -7.531   3.526  -3.683
  163    HG   LEU  19           HG       LEU  19  -5.247   3.575  -1.708
  164   HD11  LEU  19          HD11      LEU  19  -4.444   3.709  -3.992
  165   HD12  LEU  19          HD12      LEU  19  -4.306   5.280  -3.204
  166   HD13  LEU  19          HD13      LEU  19  -5.613   4.980  -4.350
  167   HD21  LEU  19          HD21      LEU  19  -7.250   5.692  -2.486
  168   HD22  LEU  19          HD22      LEU  19  -5.848   5.942  -1.446
  169   HD23  LEU  19          HD23      LEU  19  -7.150   4.873  -0.928
  170    H    LEU  20           HN       LEU  20  -7.704  -0.026  -2.589
  171    HA   LEU  20           HA       LEU  20 -10.014  -0.092  -4.261
  172    HB2  LEU  20           HB2      LEU  20  -8.381  -2.343  -3.081
  173    HB3  LEU  20           HB1      LEU  20  -9.615  -2.540  -4.310
  174    HG   LEU  20           HG       LEU  20  -7.048  -0.984  -4.643
  175   HD11  LEU  20          HD11      LEU  20  -6.646  -3.371  -4.516
  176   HD12  LEU  20          HD12      LEU  20  -6.427  -2.800  -6.170
  177   HD13  LEU  20          HD13      LEU  20  -7.896  -3.667  -5.725
  178   HD21  LEU  20          HD21      LEU  20  -7.685  -0.878  -7.008
  179   HD22  LEU  20          HD22      LEU  20  -8.852  -0.049  -5.981
  180   HD23  LEU  20          HD23      LEU  20  -9.225  -1.647  -6.625
  181    H    LYS  21           HN       LYS  21  -9.343  -0.948  -0.927
  182    HA   LYS  21           HA       LYS  21 -11.879  -2.196  -0.481
  183    HB2  LYS  21           HB2      LYS  21  -9.889  -2.741   0.878
  184    HB3  LYS  21           HB1      LYS  21  -9.890  -1.103   1.513
  185    HG2  LYS  21           HG2      LYS  21 -12.095  -1.498   2.510
  186    HG3  LYS  21           HG1      LYS  21 -12.054  -3.157   1.911
  187    HD2  LYS  21           HD2      LYS  21 -10.065  -3.599   3.256
  188    HD3  LYS  21           HD1      LYS  21 -10.078  -1.931   3.834
  189    HE2  LYS  21           HE2      LYS  21 -12.258  -2.299   4.869
  190    HE3  LYS  21           HE1      LYS  21 -12.267  -3.958   4.276
  191    HZ1  LYS  21           HZ1      LYS  21 -11.587  -3.830   6.592
  192    HZ2  LYS  21           HZ2      LYS  21 -10.287  -2.825   6.174
  193    HZ3  LYS  21           HZ3      LYS  21 -10.329  -4.422   5.620
  194    H    GLU  22           HN       GLU  22 -13.404  -0.714  -1.182
  195    HA   GLU  22           HA       GLU  22 -13.644   1.760   0.384
  196    HB2  GLU  22           HB2      GLU  22 -15.088   0.933  -2.142
  197    HB3  GLU  22           HB1      GLU  22 -15.222   2.493  -1.341
  198    HG2  GLU  22           HG2      GLU  22 -12.858   2.919  -1.769
  199    HG3  GLU  22           HG1      GLU  22 -12.723   1.357  -2.573
  200    H    LEU  23           HN       LEU  23 -14.282  -1.013   1.219
  201    HA   LEU  23           HA       LEU  23 -17.073  -0.572   2.007
  202    HB2  LEU  23           HB2      LEU  23 -15.845  -3.186   1.124
  203    HB3  LEU  23           HB1      LEU  23 -17.433  -3.028   1.846
  204    HG   LEU  23           HG       LEU  23 -16.599  -1.806  -0.789
  205   HD11  LEU  23          HD11      LEU  23 -18.323  -4.204  -0.191
  206   HD12  LEU  23          HD12      LEU  23 -16.721  -4.228  -0.927
  207   HD13  LEU  23          HD13      LEU  23 -18.073  -3.488  -1.783
  208   HD21  LEU  23          HD21      LEU  23 -19.291  -1.953   0.567
  209   HD22  LEU  23          HD22      LEU  23 -18.990  -1.345  -1.061
  210   HD23  LEU  23          HD23      LEU  23 -18.321  -0.499   0.335
  211    H    GLN  24           HN       GLN  24 -17.615  -1.331   4.041
  212    HA   GLN  24           HA       GLN  24 -15.363  -1.349   5.858
  213    HB2  GLN  24           HB2      GLN  24 -18.329  -1.022   6.172
  214    HB3  GLN  24           HB1      GLN  24 -17.314  -1.335   7.571
  215    HG2  GLN  24           HG2      GLN  24 -17.797   1.050   7.245
  216    HG3  GLN  24           HG1      GLN  24 -16.077   0.686   7.197
  217   HE21  GLN  24          HE21      GLN  24 -14.948   0.963   5.304
  218   HE22  GLN  24          HE22      GLN  24 -15.598   1.809   3.941
  219    H    ASP  25           HN       ASP  25 -15.729  -2.777   7.889
  220    HA   ASP  25           HA       ASP  25 -16.081  -5.518   6.903
  221    HB2  ASP  25           HB2      ASP  25 -14.566  -4.540   9.337
  222    HB3  ASP  25           HB1      ASP  25 -14.677  -6.213   8.804
  Start of MODEL    2
    1    H1   PHE   1           HT1      PHE   1  24.607   3.244  -4.011
    2    H2   PHE   1           HT2      PHE   1  24.670   3.046  -5.686
    3    H3   PHE   1           HT3      PHE   1  24.287   1.735  -4.696
    4    HA   PHE   1           HA       PHE   1  22.665   4.176  -5.088
    5    HB2  PHE   1           HB2      PHE   1  22.782   2.365  -6.924
    6    HB3  PHE   1           HB1      PHE   1  21.898   1.348  -5.793
    7    HD1  PHE   1           HD1      PHE   1  19.677   1.187  -6.291
    8    HD2  PHE   1           HD2      PHE   1  21.660   4.893  -6.913
    9    HE1  PHE   1           HE1      PHE   1  17.567   2.184  -7.063
   10    HE2  PHE   1           HE2      PHE   1  19.555   5.900  -7.681
   11    HZ   PHE   1           HZ       PHE   1  17.502   4.544  -7.760
   12    H    GLU   2           HN       GLU   2  22.349   0.814  -3.903
   13    HA   GLU   2           HA       GLU   2  21.427  -0.068  -2.033
   14    HB2  GLU   2           HB2      GLU   2  22.520   2.482  -0.844
   15    HB3  GLU   2           HB1      GLU   2  21.973   1.104   0.098
   16    HG2  GLU   2           HG2      GLU   2  24.271   1.142  -1.850
   17    HG3  GLU   2           HG1      GLU   2  24.380   1.103  -0.091
   18    H    THR   3           HN       THR   3  19.279   0.078  -2.831
   19    HA   THR   3           HA       THR   3  17.640   1.949  -1.284
   20    HB   THR   3           HB       THR   3  16.090   2.098  -3.272
   21    HG1  THR   3           HG1      THR   3  18.048   0.509  -4.319
   22   HG21  THR   3          HG21      THR   3  18.845   3.288  -3.565
   23   HG22  THR   3          HG22      THR   3  17.519   3.958  -2.617
   24   HG23  THR   3          HG23      THR   3  17.388   3.862  -4.373
   25    H    LEU   4           HN       LEU   4  17.130   0.292   0.142
   26    HA   LEU   4           HA       LEU   4  15.999  -2.177  -0.803
   27    HB2  LEU   4           HB2      LEU   4  17.312  -2.091   1.264
   28    HB3  LEU   4           HB1      LEU   4  16.136  -1.006   1.974
   29    HG   LEU   4           HG       LEU   4  14.435  -2.821   1.812
   30   HD11  LEU   4          HD11      LEU   4  15.227  -5.115   1.441
   31   HD12  LEU   4          HD12      LEU   4  16.812  -4.485   0.998
   32   HD13  LEU   4          HD13      LEU   4  15.406  -4.109   0.005
   33   HD21  LEU   4          HD21      LEU   4  16.933  -3.476   3.366
   34   HD22  LEU   4          HD22      LEU   4  15.323  -4.126   3.679
   35   HD23  LEU   4          HD23      LEU   4  15.634  -2.403   3.887
   36    H    ARG   5           HN       ARG   5  14.273  -1.467  -2.051
   37    HA   ARG   5           HA       ARG   5  12.095  -0.066  -0.683
   38    HB2  ARG   5           HB2      ARG   5  12.416  -0.747  -3.605
   39    HB3  ARG   5           HB1      ARG   5  11.132   0.231  -2.915
   40    HG2  ARG   5           HG2      ARG   5  12.761   1.909  -2.234
   41    HG3  ARG   5           HG1      ARG   5  14.062   0.922  -2.903
   42    HD2  ARG   5           HD2      ARG   5  13.496   2.642  -4.486
   43    HD3  ARG   5           HD1      ARG   5  12.980   1.082  -5.125
   44    HE   ARG   5           HE       ARG   5  10.867   2.373  -3.708
   45   HH11  ARG   5          HH11      ARG   5  12.582   2.389  -6.772
   46   HH12  ARG   5          HH12      ARG   5  11.253   3.071  -7.647
   47   HH21  ARG   5          HH21      ARG   5   9.142   3.265  -4.846
   48   HH22  ARG   5          HH22      ARG   5   9.285   3.570  -6.554
   49    H    GLY   6           HN       GLY   6  12.986  -3.065  -0.697
   50    HA2  GLY   6           HA2      GLY   6  10.993  -4.664  -1.779
   51    HA3  GLY   6           HA1      GLY   6  11.914  -5.068  -0.340
   52    H    ASP   7           HN       ASP   7  11.102  -3.328   1.522
   53    HA   ASP   7           HA       ASP   7   8.526  -4.303   2.208
   54    HB2  ASP   7           HB2      ASP   7   8.724  -3.004   4.215
   55    HB3  ASP   7           HB1      ASP   7  10.304  -3.695   3.867
   56    H    GLU   8           HN       GLU   8   9.725  -1.418   0.724
   57    HA   GLU   8           HA       GLU   8   7.482   0.239   1.042
   58    HB2  GLU   8           HB2      GLU   8   9.687   1.059   0.350
   59    HB3  GLU   8           HB1      GLU   8   9.540   0.191  -1.170
   60    HG2  GLU   8           HG2      GLU   8   7.533   1.579  -1.673
   61    HG3  GLU   8           HG1      GLU   8   7.903   2.529  -0.234
   62    H    ARG   9           HN       ARG   9   8.338  -2.181  -1.365
   63    HA   ARG   9           HA       ARG   9   6.247  -1.705  -3.185
   64    HB2  ARG   9           HB2      ARG   9   7.793  -4.200  -2.510
   65    HB3  ARG   9           HB1      ARG   9   6.590  -4.150  -3.787
   66    HG2  ARG   9           HG2      ARG   9   9.063  -2.441  -3.662
   67    HG3  ARG   9           HG1      ARG   9   8.868  -3.898  -4.639
   68    HD2  ARG   9           HD2      ARG   9   7.281  -1.347  -4.871
   69    HD3  ARG   9           HD1      ARG   9   8.502  -1.930  -5.999
   70    HE   ARG   9           HE       ARG   9   6.772  -3.955  -6.043
   71   HH11  ARG   9          HH11      ARG   9   6.194  -0.503  -6.139
   72   HH12  ARG   9          HH12      ARG   9   4.793  -0.635  -7.156
   73   HH21  ARG   9          HH21      ARG   9   4.931  -4.137  -7.381
   74   HH22  ARG   9          HH22      ARG   9   4.074  -2.709  -7.864
   75    H    ILE  10           HN       ILE  10   6.481  -3.854  -0.403
   76    HA   ILE  10           HA       ILE  10   3.873  -4.937  -0.646
   77    HB   ILE  10           HB       ILE  10   5.625  -4.701   1.811
   78   HG12  ILE  10          HG12      ILE  10   5.238  -7.004  -0.120
   79   HG13  ILE  10          HG11      ILE  10   6.658  -5.967  -0.051
   80   HG21  ILE  10          HG21      ILE  10   3.229  -6.464   1.306
   81   HG22  ILE  10          HG22      ILE  10   3.284  -5.082   2.398
   82   HG23  ILE  10          HG23      ILE  10   4.262  -6.511   2.735
   83   HD11  ILE  10          HD11      ILE  10   7.122  -6.763   2.208
   84   HD12  ILE  10          HD12      ILE  10   7.066  -8.084   1.042
   85   HD13  ILE  10          HD13      ILE  10   5.704  -7.806   2.126
   86    H    LEU  11           HN       LEU  11   5.212  -2.125   0.928
   87    HA   LEU  11           HA       LEU  11   2.933  -1.408   2.446
   88    HB2  LEU  11           HB2      LEU  11   5.327  -0.616   2.753
   89    HB3  LEU  11           HB1      LEU  11   5.068   0.441   1.384
   90    HG   LEU  11           HG       LEU  11   3.338   0.599   3.845
   91   HD11  LEU  11          HD11      LEU  11   5.912   2.068   3.281
   92   HD12  LEU  11          HD12      LEU  11   5.645   0.878   4.556
   93   HD13  LEU  11          HD13      LEU  11   4.794   2.421   4.599
   94   HD21  LEU  11          HD21      LEU  11   2.500   1.706   1.830
   95   HD22  LEU  11          HD22      LEU  11   4.018   2.592   1.683
   96   HD23  LEU  11          HD23      LEU  11   2.958   2.881   3.063
   97    H    SER  12           HN       SER  12   4.129  -0.392  -0.757
   98    HA   SER  12           HA       SER  12   2.043   1.483  -1.178
   99    HB2  SER  12           HB2      SER  12   2.841   1.518  -3.520
  100    HB3  SER  12           HB1      SER  12   4.154   1.706  -2.359
  101    HG   SER  12           HG       SER  12   5.021   0.098  -3.382
  102    H    ILE  13           HN       ILE  13   2.521  -1.884  -2.165
  103    HA   ILE  13           HA       ILE  13   0.172  -2.115  -3.691
  104    HB   ILE  13           HB       ILE  13   1.679  -4.209  -2.121
  105   HG12  ILE  13          HG12      ILE  13   1.534  -3.625  -5.088
  106   HG13  ILE  13          HG11      ILE  13   2.871  -3.180  -4.035
  107   HG21  ILE  13          HG21      ILE  13  -0.603  -4.958  -2.326
  108   HG22  ILE  13          HG22      ILE  13   0.405  -5.869  -3.453
  109   HG23  ILE  13          HG23      ILE  13  -0.618  -4.557  -4.043
  110   HD11  ILE  13          HD11      ILE  13   3.394  -5.160  -5.327
  111   HD12  ILE  13          HD12      ILE  13   1.977  -5.981  -4.674
  112   HD13  ILE  13          HD13      ILE  13   3.313  -5.546  -3.608
  113    H    LEU  14           HN       LEU  14   0.799  -2.612  -0.247
  114    HA   LEU  14           HA       LEU  14  -1.842  -3.361   0.424
  115    HB2  LEU  14           HB2      LEU  14   0.190  -3.711   1.848
  116    HB3  LEU  14           HB1      LEU  14   0.173  -1.994   2.202
  117    HG   LEU  14           HG       LEU  14  -2.072  -2.257   3.221
  118   HD11  LEU  14          HD11      LEU  14  -2.851  -4.197   2.017
  119   HD12  LEU  14          HD12      LEU  14  -2.848  -4.537   3.745
  120   HD13  LEU  14          HD13      LEU  14  -1.571  -5.185   2.719
  121   HD21  LEU  14          HD21      LEU  14  -0.037  -2.319   4.585
  122   HD22  LEU  14          HD22      LEU  14   0.048  -4.067   4.370
  123   HD23  LEU  14          HD23      LEU  14  -1.302  -3.350   5.248
  124    H    ARG  15           HN       ARG  15  -0.222  -0.276   0.065
  125    HA   ARG  15           HA       ARG  15  -2.277   1.343   1.123
  126    HB2  ARG  15           HB2      ARG  15   0.020   2.160   0.693
  127    HB3  ARG  15           HB1      ARG  15  -0.269   2.019  -1.036
  128    HG2  ARG  15           HG2      ARG  15  -1.985   3.712  -0.929
  129    HG3  ARG  15           HG1      ARG  15  -1.818   3.806   0.824
  130    HD2  ARG  15           HD2      ARG  15   0.534   4.521   0.519
  131    HD3  ARG  15           HD1      ARG  15   0.278   4.519  -1.225
  132    HE   ARG  15           HE       ARG  15  -1.663   6.145   0.054
  133   HH11  ARG  15          HH11      ARG  15   1.711   6.103  -0.886
  134   HH12  ARG  15          HH12      ARG  15   1.839   7.829  -0.968
  135   HH21  ARG  15          HH21      ARG  15  -1.494   8.410  -0.041
  136   HH22  ARG  15          HH22      ARG  15   0.015   9.148  -0.481
  137    H    HIS  16           HN       HIS  16  -1.658  -0.017  -2.053
  138    HA   HIS  16           HA       HIS  16  -3.828   1.265  -3.362
  139    HB2  HIS  16           HB2      HIS  16  -2.258  -1.226  -4.028
  140    HB3  HIS  16           HB1      HIS  16  -3.572  -0.639  -5.038
  141    HD1  HIS  16           HD1      HIS  16  -1.855  -0.261  -6.977
  142    HD2  HIS  16           HD2      HIS  16  -1.188   2.043  -3.585
  143    HE1  HIS  16           HE1      HIS  16  -0.206   1.506  -7.675
  144    HE2  HIS  16           HE2      HIS  16   0.293   2.798  -5.567
  145    H    GLN  17           HN       GLN  17  -3.519  -1.704  -1.511
  146    HA   GLN  17           HA       GLN  17  -6.117  -2.695  -2.123
  147    HB2  GLN  17           HB2      GLN  17  -4.366  -3.265   0.280
  148    HB3  GLN  17           HB1      GLN  17  -5.815  -4.157  -0.149
  149    HG2  GLN  17           HG2      GLN  17  -3.173  -4.100  -1.572
  150    HG3  GLN  17           HG1      GLN  17  -4.016  -5.478  -0.867
  151   HE21  GLN  17          HE21      GLN  17  -3.697  -3.415  -3.603
  152   HE22  GLN  17          HE22      GLN  17  -4.766  -4.280  -4.651
  153    H    ASN  18           HN       ASN  18  -4.809  -0.512   0.277
  154    HA   ASN  18           HA       ASN  18  -7.085  -0.326   1.939
  155    HB2  ASN  18           HB2      ASN  18  -4.878   0.489   2.644
  156    HB3  ASN  18           HB1      ASN  18  -4.929   1.729   1.395
  157   HD21  ASN  18          HD21      ASN  18  -4.816   3.465   2.751
  158   HD22  ASN  18          HD22      ASN  18  -6.078   3.891   3.847
  159    H    LEU  19           HN       LEU  19  -6.099   1.385  -0.965
  160    HA   LEU  19           HA       LEU  19  -8.317   3.200  -0.922
  161    HB2  LEU  19           HB2      LEU  19  -6.394   2.496  -3.137
  162    HB3  LEU  19           HB1      LEU  19  -7.542   3.820  -3.183
  163    HG   LEU  19           HG       LEU  19  -5.243   3.581  -1.237
  164   HD11  LEU  19          HD11      LEU  19  -4.470   3.986  -3.507
  165   HD12  LEU  19          HD12      LEU  19  -4.270   5.429  -2.515
  166   HD13  LEU  19          HD13      LEU  19  -5.600   5.328  -3.668
  167   HD21  LEU  19          HD21      LEU  19  -7.232   5.798  -1.722
  168   HD22  LEU  19          HD22      LEU  19  -5.806   5.915  -0.693
  169   HD23  LEU  19          HD23      LEU  19  -7.103   4.798  -0.276
  170    H    LEU  20           HN       LEU  20  -7.572   0.132  -2.444
  171    HA   LEU  20           HA       LEU  20  -9.813   0.082  -4.188
  172    HB2  LEU  20           HB2      LEU  20  -7.731  -1.256  -4.480
  173    HB3  LEU  20           HB1      LEU  20  -8.205  -2.229  -3.103
  174    HG   LEU  20           HG       LEU  20 -10.254  -2.910  -4.362
  175   HD11  LEU  20          HD11      LEU  20  -8.877  -1.486  -6.635
  176   HD12  LEU  20          HD12      LEU  20 -10.407  -1.029  -5.886
  177   HD13  LEU  20          HD13      LEU  20 -10.283  -2.538  -6.787
  178   HD21  LEU  20          HD21      LEU  20  -8.264  -4.326  -4.274
  179   HD22  LEU  20          HD22      LEU  20  -7.620  -3.513  -5.700
  180   HD23  LEU  20          HD23      LEU  20  -9.092  -4.475  -5.823
  181    H    LYS  21           HN       LYS  21  -9.307  -0.682  -0.864
  182    HA   LYS  21           HA       LYS  21 -11.427  -2.394  -0.303
  183    HB2  LYS  21           HB2      LYS  21  -9.645  -1.790   1.290
  184    HB3  LYS  21           HB1      LYS  21 -10.308  -0.168   1.412
  185    HG2  LYS  21           HG2      LYS  21 -12.423  -1.201   2.276
  186    HG3  LYS  21           HG1      LYS  21 -11.556  -2.738   2.345
  187    HD2  LYS  21           HD2      LYS  21 -10.798  -0.201   3.798
  188    HD3  LYS  21           HD1      LYS  21 -11.552  -1.621   4.520
  189    HE2  LYS  21           HE2      LYS  21  -8.838  -1.577   3.191
  190    HE3  LYS  21           HE1      LYS  21  -9.117  -1.517   4.928
  191    HZ1  LYS  21           HZ1      LYS  21  -8.590  -3.747   4.240
  192    HZ2  LYS  21           HZ2      LYS  21  -9.855  -3.749   3.120
  193    HZ3  LYS  21           HZ3      LYS  21 -10.194  -3.689   4.774
  194    H    GLU  22           HN       GLU  22 -13.454  -2.069  -0.950
  195    HA   GLU  22           HA       GLU  22 -15.442  -1.102  -1.439
  196    HB2  GLU  22           HB2      GLU  22 -14.680   0.620   0.922
  197    HB3  GLU  22           HB1      GLU  22 -16.270   0.623   0.170
  198    HG2  GLU  22           HG2      GLU  22 -16.486  -1.777   0.702
  199    HG3  GLU  22           HG1      GLU  22 -14.937  -1.702   1.540
  200    H    LEU  23           HN       LEU  23 -13.537  -0.352  -3.141
  201    HA   LEU  23           HA       LEU  23 -13.436   2.508  -3.448
  202    HB2  LEU  23           HB2      LEU  23 -11.601   1.045  -4.204
  203    HB3  LEU  23           HB1      LEU  23 -12.680   0.299  -5.366
  204    HG   LEU  23           HG       LEU  23 -12.915   2.510  -6.494
  205   HD11  LEU  23          HD11      LEU  23 -10.737   3.317  -4.574
  206   HD12  LEU  23          HD12      LEU  23 -12.375   3.968  -4.639
  207   HD13  LEU  23          HD13      LEU  23 -11.260   4.250  -5.975
  208   HD21  LEU  23          HD21      LEU  23 -10.115   1.426  -6.230
  209   HD22  LEU  23          HD22      LEU  23 -10.690   2.470  -7.529
  210   HD23  LEU  23          HD23      LEU  23 -11.359   0.850  -7.339
  211    H    GLN  24           HN       GLN  24 -15.655   3.013  -3.463
  212    HA   GLN  24           HA       GLN  24 -17.178   2.008  -5.762
  213    HB2  GLN  24           HB2      GLN  24 -18.175   3.416  -3.277
  214    HB3  GLN  24           HB1      GLN  24 -19.177   2.731  -4.549
  215    HG2  GLN  24           HG2      GLN  24 -17.400   1.233  -2.636
  216    HG3  GLN  24           HG1      GLN  24 -19.161   1.248  -2.667
  217   HE21  GLN  24          HE21      GLN  24 -20.242   0.100  -4.283
  218   HE22  GLN  24          HE22      GLN  24 -19.454  -1.122  -5.219
  219    H    ASP  25           HN       ASP  25 -17.636   3.346  -7.409
  220    HA   ASP  25           HA       ASP  25 -16.988   6.190  -7.033
  221    HB2  ASP  25           HB2      ASP  25 -16.852   4.468  -9.513
  222    HB3  ASP  25           HB1      ASP  25 -16.714   6.221  -9.546
  Start of MODEL    3
    1    H1   PHE   1           HT1      PHE   1  23.486   4.107   4.037
    2    H2   PHE   1           HT2      PHE   1  23.879   2.702   4.884
    3    H3   PHE   1           HT3      PHE   1  23.852   4.192   5.686
    4    HA   PHE   1           HA       PHE   1  21.899   2.946   6.247
    5    HB2  PHE   1           HB2      PHE   1  21.701   5.393   6.057
    6    HB3  PHE   1           HB1      PHE   1  21.322   5.238   4.348
    7    HD1  PHE   1           HD1      PHE   1  20.104   3.872   7.601
    8    HD2  PHE   1           HD2      PHE   1  19.123   5.443   3.771
    9    HE1  PHE   1           HE1      PHE   1  17.712   3.726   8.156
   10    HE2  PHE   1           HE2      PHE   1  16.733   5.298   4.320
   11    HZ   PHE   1           HZ       PHE   1  16.021   4.439   6.514
   12    H    GLU   2           HN       GLU   2  21.625   3.858   2.817
   13    HA   GLU   2           HA       GLU   2  20.812   2.813   0.998
   14    HB2  GLU   2           HB2      GLU   2  22.339   0.966   1.628
   15    HB3  GLU   2           HB1      GLU   2  21.059   0.260   2.604
   16    HG2  GLU   2           HG2      GLU   2  21.300  -0.833   0.425
   17    HG3  GLU   2           HG1      GLU   2  19.706  -0.106   0.639
   18    H    THR   3           HN       THR   3  18.810   3.265   0.495
   19    HA   THR   3           HA       THR   3  16.636   2.988   2.291
   20    HB   THR   3           HB       THR   3  15.263   3.584   0.246
   21    HG1  THR   3           HG1      THR   3  17.155   2.720  -1.126
   22   HG21  THR   3          HG21      THR   3  16.085   5.888   0.174
   23   HG22  THR   3          HG22      THR   3  17.582   5.379   0.952
   24   HG23  THR   3          HG23      THR   3  16.053   5.271   1.824
   25    H    LEU   4           HN       LEU   4  15.651   1.145   2.782
   26    HA   LEU   4           HA       LEU   4  15.831  -1.139   1.005
   27    HB2  LEU   4           HB2      LEU   4  16.127  -1.383   3.451
   28    HB3  LEU   4           HB1      LEU   4  14.470  -0.867   3.685
   29    HG   LEU   4           HG       LEU   4  13.695  -2.857   2.449
   30   HD11  LEU   4          HD11      LEU   4  15.646  -3.201   1.032
   31   HD12  LEU   4          HD12      LEU   4  15.276  -4.656   1.957
   32   HD13  LEU   4          HD13      LEU   4  16.612  -3.616   2.448
   33   HD21  LEU   4          HD21      LEU   4  14.225  -4.485   4.181
   34   HD22  LEU   4          HD22      LEU   4  13.870  -2.906   4.879
   35   HD23  LEU   4          HD23      LEU   4  15.539  -3.459   4.752
   36    H    ARG   5           HN       ARG   5  14.611  -0.221  -0.705
   37    HA   ARG   5           HA       ARG   5  11.868   0.536  -0.208
   38    HB2  ARG   5           HB2      ARG   5  13.415   0.368  -2.788
   39    HB3  ARG   5           HB1      ARG   5  11.795   1.026  -2.621
   40    HG2  ARG   5           HG2      ARG   5  12.736   2.700  -1.011
   41    HG3  ARG   5           HG1      ARG   5  14.342   2.117  -1.457
   42    HD2  ARG   5           HD2      ARG   5  13.757   4.098  -2.745
   43    HD3  ARG   5           HD1      ARG   5  13.892   2.686  -3.794
   44    HE   ARG   5           HE       ARG   5  11.229   3.416  -2.812
   45   HH11  ARG   5          HH11      ARG   5  13.517   3.305  -5.475
   46   HH12  ARG   5          HH12      ARG   5  12.304   3.577  -6.684
   47   HH21  ARG   5          HH21      ARG   5   9.647   3.740  -4.399
   48   HH22  ARG   5          HH22      ARG   5  10.106   3.840  -6.076
   49    H    GLY   6           HN       GLY   6  13.303  -2.369  -0.501
   50    HA2  GLY   6           HA2      GLY   6  11.607  -3.831  -2.190
   51    HA3  GLY   6           HA1      GLY   6  12.429  -4.481  -0.776
   52    H    ASP   7           HN       ASP   7  11.309  -3.174   1.291
   53    HA   ASP   7           HA       ASP   7   8.769  -4.429   1.481
   54    HB2  ASP   7           HB2      ASP   7  10.229  -2.587   3.368
   55    HB3  ASP   7           HB1      ASP   7   8.663  -3.304   3.738
   56    H    GLU   8           HN       GLU   8   9.790  -1.368   0.427
   57    HA   GLU   8           HA       GLU   8   7.514   0.185   0.958
   58    HB2  GLU   8           HB2      GLU   8   9.641   1.127   0.143
   59    HB3  GLU   8           HB1      GLU   8   9.395   0.334  -1.405
   60    HG2  GLU   8           HG2      GLU   8   7.225   1.665  -1.541
   61    HG3  GLU   8           HG1      GLU   8   7.878   2.623  -0.214
   62    H    ARG   9           HN       ARG   9   8.272  -2.160  -1.539
   63    HA   ARG   9           HA       ARG   9   6.045  -1.675  -3.209
   64    HB2  ARG   9           HB2      ARG   9   7.798  -4.084  -2.784
   65    HB3  ARG   9           HB1      ARG   9   6.452  -4.108  -3.914
   66    HG2  ARG   9           HG2      ARG   9   8.679  -2.090  -4.042
   67    HG3  ARG   9           HG1      ARG   9   8.698  -3.621  -4.915
   68    HD2  ARG   9           HD2      ARG   9   6.597  -1.472  -5.188
   69    HD3  ARG   9           HD1      ARG   9   7.912  -1.767  -6.322
   70    HE   ARG   9           HE       ARG   9   6.578  -4.168  -6.093
   71   HH11  ARG   9          HH11      ARG   9   5.778  -0.909  -7.097
   72   HH12  ARG   9          HH12      ARG   9   4.538  -1.413  -8.199
   73   HH21  ARG   9          HH21      ARG   9   4.944  -4.833  -7.544
   74   HH22  ARG   9          HH22      ARG   9   4.069  -3.649  -8.458
   75    H    ILE  10           HN       ILE  10   6.523  -3.723  -0.401
   76    HA   ILE  10           HA       ILE  10   3.972  -4.957  -0.466
   77    HB   ILE  10           HB       ILE  10   5.803  -4.443   1.888
   78   HG12  ILE  10          HG12      ILE  10   5.355  -6.946   0.247
   79   HG13  ILE  10          HG11      ILE  10   6.764  -5.900   0.130
   80   HG21  ILE  10          HG21      ILE  10   3.399  -6.253   1.690
   81   HG22  ILE  10          HG22      ILE  10   3.514  -4.774   2.642
   82   HG23  ILE  10          HG23      ILE  10   4.510  -6.169   3.057
   83   HD11  ILE  10          HD11      ILE  10   7.334  -6.423   2.452
   84   HD12  ILE  10          HD12      ILE  10   7.248  -7.872   1.449
   85   HD13  ILE  10          HD13      ILE  10   5.926  -7.482   2.549
   86    H    LEU  11           HN       LEU  11   5.248  -2.038   0.995
   87    HA   LEU  11           HA       LEU  11   2.954  -1.310   2.468
   88    HB2  LEU  11           HB2      LEU  11   5.317  -0.461   2.762
   89    HB3  LEU  11           HB1      LEU  11   5.068   0.528   1.341
   90    HG   LEU  11           HG       LEU  11   3.272   0.790   3.741
   91   HD11  LEU  11          HD11      LEU  11   4.738   2.640   4.467
   92   HD12  LEU  11          HD12      LEU  11   5.912   2.159   3.243
   93   HD13  LEU  11          HD13      LEU  11   5.524   1.066   4.569
   94   HD21  LEU  11          HD21      LEU  11   2.964   3.055   2.869
   95   HD22  LEU  11          HD22      LEU  11   2.535   1.846   1.657
   96   HD23  LEU  11          HD23      LEU  11   4.073   2.704   1.542
   97    H    SER  12           HN       SER  12   4.098  -0.448  -0.784
   98    HA   SER  12           HA       SER  12   2.040   1.442  -1.255
   99    HB2  SER  12           HB2      SER  12   2.827   1.317  -3.625
  100    HB3  SER  12           HB1      SER  12   4.100   1.655  -2.454
  101    HG   SER  12           HG       SER  12   5.064  -0.072  -3.122
  102    H    ILE  13           HN       ILE  13   2.444  -1.964  -2.151
  103    HA   ILE  13           HA       ILE  13   0.052  -2.130  -3.644
  104    HB   ILE  13           HB       ILE  13   1.581  -4.286  -2.186
  105   HG12  ILE  13          HG12      ILE  13   1.396  -3.582  -5.125
  106   HG13  ILE  13          HG11      ILE  13   2.754  -3.199  -4.075
  107   HG21  ILE  13          HG21      ILE  13  -0.724  -4.991  -2.387
  108   HG22  ILE  13          HG22      ILE  13   0.268  -5.889  -3.537
  109   HG23  ILE  13          HG23      ILE  13  -0.741  -4.554  -4.095
  110   HD11  ILE  13          HD11      ILE  13   1.811  -5.961  -4.797
  111   HD12  ILE  13          HD12      ILE  13   3.177  -5.573  -3.753
  112   HD13  ILE  13          HD13      ILE  13   3.219  -5.133  -5.460
  113    H    LEU  14           HN       LEU  14   0.794  -2.715  -0.243
  114    HA   LEU  14           HA       LEU  14  -1.784  -3.445   0.591
  115    HB2  LEU  14           HB2      LEU  14   0.231  -3.697   1.982
  116    HB3  LEU  14           HB1      LEU  14   0.360  -1.954   2.110
  117    HG   LEU  14           HG       LEU  14  -1.839  -1.932   3.294
  118   HD11  LEU  14          HD11      LEU  14  -1.475  -4.923   3.311
  119   HD12  LEU  14          HD12      LEU  14  -2.707  -4.042   2.409
  120   HD13  LEU  14          HD13      LEU  14  -2.719  -4.017   4.172
  121   HD21  LEU  14          HD21      LEU  14   0.254  -1.857   4.531
  122   HD22  LEU  14          HD22      LEU  14   0.335  -3.620   4.526
  123   HD23  LEU  14          HD23      LEU  14  -0.954  -2.798   5.406
  124    H    ARG  15           HN       ARG  15  -0.191  -0.320   0.265
  125    HA   ARG  15           HA       ARG  15  -2.255   1.315   1.203
  126    HB2  ARG  15           HB2      ARG  15  -0.003   2.160   0.854
  127    HB3  ARG  15           HB1      ARG  15  -0.128   1.863  -0.872
  128    HG2  ARG  15           HG2      ARG  15  -1.910   3.553  -1.015
  129    HG3  ARG  15           HG1      ARG  15  -1.717   3.876   0.709
  130    HD2  ARG  15           HD2      ARG  15   0.573   4.584   0.355
  131    HD3  ARG  15           HD1      ARG  15   0.464   4.163  -1.353
  132    HE   ARG  15           HE       ARG  15  -1.521   6.075  -0.563
  133   HH11  ARG  15          HH11      ARG  15   1.835   5.720  -1.516
  134   HH12  ARG  15          HH12      ARG  15   1.962   7.340  -2.122
  135   HH21  ARG  15          HH21      ARG  15  -1.352   8.195  -1.366
  136   HH22  ARG  15          HH22      ARG  15   0.151   8.746  -2.040
  137    H    HIS  16           HN       HIS  16  -1.616  -0.019  -2.004
  138    HA   HIS  16           HA       HIS  16  -3.733   1.386  -3.293
  139    HB2  HIS  16           HB2      HIS  16  -2.251  -1.118  -4.107
  140    HB3  HIS  16           HB1      HIS  16  -3.433  -0.305  -5.120
  141    HD1  HIS  16           HD1      HIS  16  -0.626  -0.605  -6.179
  142    HD2  HIS  16           HD2      HIS  16  -1.850   2.675  -3.945
  143    HE1  HIS  16           HE1      HIS  16   0.974   1.239  -6.762
  144    HE2  HIS  16           HE2      HIS  16   0.161   3.244  -5.469
  145    H    GLN  17           HN       GLN  17  -3.508  -1.701  -1.637
  146    HA   GLN  17           HA       GLN  17  -6.110  -2.590  -2.384
  147    HB2  GLN  17           HB2      GLN  17  -4.336  -3.387  -0.068
  148    HB3  GLN  17           HB1      GLN  17  -5.869  -4.163  -0.442
  149    HG2  GLN  17           HG2      GLN  17  -3.380  -4.124  -2.134
  150    HG3  GLN  17           HG1      GLN  17  -4.118  -5.508  -1.330
  151   HE21  GLN  17          HE21      GLN  17  -3.486  -5.054  -4.160
  152   HE22  GLN  17          HE22      GLN  17  -4.974  -5.255  -5.016
  153    H    ASN  18           HN       ASN  18  -4.819  -0.640   0.226
  154    HA   ASN  18           HA       ASN  18  -7.152  -0.460   1.792
  155    HB2  ASN  18           HB2      ASN  18  -5.063   0.281   2.716
  156    HB3  ASN  18           HB1      ASN  18  -4.829   1.434   1.409
  157   HD21  ASN  18          HD21      ASN  18  -4.619   3.196   2.742
  158   HD22  ASN  18          HD22      ASN  18  -5.941   3.852   3.638
  159    H    LEU  19           HN       LEU  19  -6.000   1.404  -0.959
  160    HA   LEU  19           HA       LEU  19  -8.158   3.285  -0.891
  161    HB2  LEU  19           HB2      LEU  19  -6.182   2.682  -3.088
  162    HB3  LEU  19           HB1      LEU  19  -7.234   4.080  -3.015
  163    HG   LEU  19           HG       LEU  19  -5.024   3.468  -1.052
  164   HD11  LEU  19          HD11      LEU  19  -5.167   5.499  -3.273
  165   HD12  LEU  19          HD12      LEU  19  -4.162   4.050  -3.256
  166   HD13  LEU  19          HD13      LEU  19  -3.865   5.344  -2.093
  167   HD21  LEU  19          HD21      LEU  19  -6.802   4.706   0.007
  168   HD22  LEU  19          HD22      LEU  19  -6.857   5.843  -1.338
  169   HD23  LEU  19          HD23      LEU  19  -5.440   5.785  -0.293
  170    H    LEU  20           HN       LEU  20  -7.787   0.132  -2.101
  171    HA   LEU  20           HA       LEU  20  -9.979   0.425  -4.017
  172    HB2  LEU  20           HB2      LEU  20  -7.912  -0.815  -4.659
  173    HB3  LEU  20           HB1      LEU  20  -8.252  -1.977  -3.394
  174    HG   LEU  20           HG       LEU  20 -10.370  -2.566  -4.564
  175   HD11  LEU  20          HD11      LEU  20 -10.732  -0.497  -5.778
  176   HD12  LEU  20          HD12      LEU  20 -10.653  -1.859  -6.895
  177   HD13  LEU  20          HD13      LEU  20  -9.272  -0.775  -6.726
  178   HD21  LEU  20          HD21      LEU  20  -7.847  -2.853  -6.189
  179   HD22  LEU  20          HD22      LEU  20  -9.301  -3.837  -6.358
  180   HD23  LEU  20          HD23      LEU  20  -8.360  -3.904  -4.868
  181    H    LYS  21           HN       LYS  21  -9.651  -0.012  -0.819
  182    HA   LYS  21           HA       LYS  21 -11.857  -1.951  -0.619
  183    HB2  LYS  21           HB2      LYS  21  -9.651  -2.674   0.328
  184    HB3  LYS  21           HB1      LYS  21  -9.752  -1.332   1.453
  185    HG2  LYS  21           HG2      LYS  21 -11.743  -2.280   2.454
  186    HG3  LYS  21           HG1      LYS  21 -11.714  -3.603   1.287
  187    HD2  LYS  21           HD2      LYS  21 -10.762  -4.367   3.368
  188    HD3  LYS  21           HD1      LYS  21  -9.493  -4.271   2.151
  189    HE2  LYS  21           HE2      LYS  21  -8.700  -3.394   4.274
  190    HE3  LYS  21           HE1      LYS  21  -8.780  -2.108   3.073
  191    HZ1  LYS  21           HZ1      LYS  21 -10.833  -1.348   4.041
  192    HZ2  LYS  21           HZ2      LYS  21  -9.652  -1.433   5.242
  193    HZ3  LYS  21           HZ3      LYS  21 -10.842  -2.628   5.144
  194    H    GLU  22           HN       GLU  22 -13.497  -1.533   0.892
  195    HA   GLU  22           HA       GLU  22 -15.024  -0.259   1.989
  196    HB2  GLU  22           HB2      GLU  22 -13.104  -0.186   3.623
  197    HB3  GLU  22           HB1      GLU  22 -12.649   1.361   2.925
  198    HG2  GLU  22           HG2      GLU  22 -14.913   2.212   3.544
  199    HG3  GLU  22           HG1      GLU  22 -15.178   0.699   4.407
  200    H    LEU  23           HN       LEU  23 -14.953   0.340  -0.583
  201    HA   LEU  23           HA       LEU  23 -14.517   3.161  -1.017
  202    HB2  LEU  23           HB2      LEU  23 -15.655   1.007  -2.802
  203    HB3  LEU  23           HB1      LEU  23 -15.389   2.665  -3.303
  204    HG   LEU  23           HG       LEU  23 -13.230   0.746  -2.417
  205   HD11  LEU  23          HD11      LEU  23 -12.546   0.769  -4.759
  206   HD12  LEU  23          HD12      LEU  23 -13.929   1.783  -5.160
  207   HD13  LEU  23          HD13      LEU  23 -14.182   0.138  -4.582
  208   HD21  LEU  23          HD21      LEU  23 -11.702   2.492  -3.250
  209   HD22  LEU  23          HD22      LEU  23 -12.658   3.033  -1.870
  210   HD23  LEU  23          HD23      LEU  23 -13.086   3.557  -3.498
  211    H    GLN  24           HN       GLN  24 -16.137   3.231   0.938
  212    HA   GLN  24           HA       GLN  24 -18.916   3.264   0.035
  213    HB2  GLN  24           HB2      GLN  24 -17.740   3.816   2.770
  214    HB3  GLN  24           HB1      GLN  24 -19.451   3.664   2.399
  215    HG2  GLN  24           HG2      GLN  24 -17.398   1.476   2.115
  216    HG3  GLN  24           HG1      GLN  24 -18.539   1.650   3.445
  217   HE21  GLN  24          HE21      GLN  24 -20.711   1.209   3.098
  218   HE22  GLN  24          HE22      GLN  24 -21.262   0.331   1.713
  219    H    ASP  25           HN       ASP  25 -18.153   5.055  -1.465
  220    HA   ASP  25           HA       ASP  25 -18.028   7.634  -0.057
  221    HB2  ASP  25           HB2      ASP  25 -16.007   7.106  -1.371
  222    HB3  ASP  25           HB1      ASP  25 -16.998   6.947  -2.819
  Start of MODEL    4
    1    H1   PHE   1           HT1      PHE   1  25.106   2.131  -0.089
    2    H2   PHE   1           HT2      PHE   1  24.147   2.180   1.305
    3    H3   PHE   1           HT3      PHE   1  25.038   3.539   0.845
    4    HA   PHE   1           HA       PHE   1  22.705   3.811   0.333
    5    HB2  PHE   1           HB2      PHE   1  24.546   4.800  -1.100
    6    HB3  PHE   1           HB1      PHE   1  24.300   3.459  -2.212
    7    HD1  PHE   1           HD1      PHE   1  22.420   6.181  -0.512
    8    HD2  PHE   1           HD2      PHE   1  22.792   3.700  -3.946
    9    HE1  PHE   1           HE1      PHE   1  20.613   7.432  -1.604
   10    HE2  PHE   1           HE2      PHE   1  20.982   4.951  -5.047
   11    HZ   PHE   1           HZ       PHE   1  19.889   6.821  -3.877
   12    H    GLU   2           HN       GLU   2  23.540   0.726   0.285
   13    HA   GLU   2           HA       GLU   2  21.821  -0.226  -1.823
   14    HB2  GLU   2           HB2      GLU   2  23.041  -1.744   0.494
   15    HB3  GLU   2           HB1      GLU   2  22.283  -2.463  -0.920
   16    HG2  GLU   2           HG2      GLU   2  24.837  -0.874  -0.829
   17    HG3  GLU   2           HG1      GLU   2  24.653  -2.593  -1.168
   18    H    THR   3           HN       THR   3  20.117   1.252  -0.938
   19    HA   THR   3           HA       THR   3  18.814   0.674   1.502
   20    HB   THR   3           HB       THR   3  16.938   2.043   0.466
   21    HG1  THR   3           HG1      THR   3  17.985   1.456  -1.757
   22   HG21  THR   3          HG21      THR   3  19.706   3.250   0.494
   23   HG22  THR   3          HG22      THR   3  18.671   3.020   1.903
   24   HG23  THR   3          HG23      THR   3  18.187   4.135   0.626
   25    H    LEU   4           HN       LEU   4  17.710  -1.097   1.942
   26    HA   LEU   4           HA       LEU   4  16.642  -2.758  -0.155
   27    HB2  LEU   4           HB2      LEU   4  17.692  -3.724   1.864
   28    HB3  LEU   4           HB1      LEU   4  16.418  -3.024   2.844
   29    HG   LEU   4           HG       LEU   4  14.768  -4.435   1.634
   30   HD11  LEU   4          HD11      LEU   4  15.956  -4.762  -0.445
   31   HD12  LEU   4          HD12      LEU   4  15.604  -6.322   0.298
   32   HD13  LEU   4          HD13      LEU   4  17.230  -5.647   0.393
   33   HD21  LEU   4          HD21      LEU   4  17.031  -5.923   2.954
   34   HD22  LEU   4          HD22      LEU   4  15.393  -6.533   2.720
   35   HD23  LEU   4          HD23      LEU   4  15.676  -5.150   3.775
   36    H    ARG   5           HN       ARG   5  14.995  -1.722  -1.137
   37    HA   ARG   5           HA       ARG   5  12.783  -0.780   0.547
   38    HB2  ARG   5           HB2      ARG   5  13.304  -0.150  -2.357
   39    HB3  ARG   5           HB1      ARG   5  12.062   0.563  -1.341
   40    HG2  ARG   5           HG2      ARG   5  14.009   1.370   0.126
   41    HG3  ARG   5           HG1      ARG   5  15.024   0.993  -1.267
   42    HD2  ARG   5           HD2      ARG   5  14.458   3.299  -1.413
   43    HD3  ARG   5           HD1      ARG   5  13.516   2.453  -2.642
   44    HE   ARG   5           HE       ARG   5  11.981   2.607  -0.304
   45   HH11  ARG   5          HH11      ARG   5  13.272   4.748  -2.763
   46   HH12  ARG   5          HH12      ARG   5  12.013   5.926  -2.572
   47   HH21  ARG   5          HH21      ARG   5  10.339   4.154  -0.039
   48   HH22  ARG   5          HH22      ARG   5  10.344   5.592  -1.022
   49    H    GLY   6           HN       GLY   6  13.118  -3.498   0.180
   50    HA2  GLY   6           HA2      GLY   6  11.445  -4.478  -1.932
   51    HA3  GLY   6           HA1      GLY   6  12.036  -5.402  -0.558
   52    H    ASP   7           HN       ASP   7  11.020  -4.061   1.563
   53    HA   ASP   7           HA       ASP   7   8.326  -4.934   1.565
   54    HB2  ASP   7           HB2      ASP   7   9.790  -3.234   3.589
   55    HB3  ASP   7           HB1      ASP   7   8.204  -3.953   3.835
   56    H    GLU   8           HN       GLU   8   9.843  -2.001   0.746
   57    HA   GLU   8           HA       GLU   8   7.830  -0.119   1.132
   58    HB2  GLU   8           HB2      GLU   8  10.205   0.278   0.371
   59    HB3  GLU   8           HB1      GLU   8   9.702  -0.236  -1.231
   60    HG2  GLU   8           HG2      GLU   8   9.651   2.094  -1.283
   61    HG3  GLU   8           HG1      GLU   8   7.967   1.596  -1.121
   62    H    ARG   9           HN       ARG   9   8.281  -2.541  -1.369
   63    HA   ARG   9           HA       ARG   9   6.209  -1.632  -3.096
   64    HB2  ARG   9           HB2      ARG   9   7.588  -4.295  -2.786
   65    HB3  ARG   9           HB1      ARG   9   6.326  -4.021  -3.976
   66    HG2  ARG   9           HG2      ARG   9   8.914  -2.491  -3.819
   67    HG3  ARG   9           HG1      ARG   9   8.585  -3.832  -4.917
   68    HD2  ARG   9           HD2      ARG   9   7.166  -1.173  -4.837
   69    HD3  ARG   9           HD1      ARG   9   8.283  -1.734  -6.078
   70    HE   ARG   9           HE       ARG   9   6.375  -3.623  -6.151
   71   HH11  ARG   9          HH11      ARG   9   6.187  -0.132  -6.139
   72   HH12  ARG   9          HH12      ARG   9   4.742  -0.071  -7.093
   73   HH21  ARG   9          HH21      ARG   9   4.446  -3.557  -7.389
   74   HH22  ARG   9          HH22      ARG   9   3.746  -2.021  -7.791
   75    H    ILE  10           HN       ILE  10   6.358  -3.924  -0.440
   76    HA   ILE  10           HA       ILE  10   3.674  -4.822  -0.674
   77    HB   ILE  10           HB       ILE  10   5.478  -4.810   1.758
   78   HG12  ILE  10          HG12      ILE  10   4.883  -7.018  -0.230
   79   HG13  ILE  10          HG11      ILE  10   6.370  -6.080  -0.186
   80   HG21  ILE  10          HG21      ILE  10   3.120  -5.037   2.361
   81   HG22  ILE  10          HG22      ILE  10   3.993  -6.541   2.642
   82   HG23  ILE  10          HG23      ILE  10   2.953  -6.377   1.228
   83   HD11  ILE  10          HD11      ILE  10   6.831  -6.958   2.058
   84   HD12  ILE  10          HD12      ILE  10   6.698  -8.232   0.846
   85   HD13  ILE  10          HD13      ILE  10   5.364  -7.929   1.959
   86    H    LEU  11           HN       LEU  11   5.258  -2.165   0.954
   87    HA   LEU  11           HA       LEU  11   3.093  -1.252   2.504
   88    HB2  LEU  11           HB2      LEU  11   5.529  -0.563   2.658
   89    HB3  LEU  11           HB1      LEU  11   5.256   0.443   1.255
   90    HG   LEU  11           HG       LEU  11   3.667   0.800   3.789
   91   HD11  LEU  11          HD11      LEU  11   6.257   2.135   3.021
   92   HD12  LEU  11          HD12      LEU  11   6.030   0.994   4.346
   93   HD13  LEU  11          HD13      LEU  11   5.238   2.569   4.393
   94   HD21  LEU  11          HD21      LEU  11   3.337   3.053   2.925
   95   HD22  LEU  11          HD22      LEU  11   2.775   1.854   1.761
   96   HD23  LEU  11          HD23      LEU  11   4.319   2.669   1.512
   97    H    SER  12           HN       SER  12   4.156  -0.440  -0.794
   98    HA   SER  12           HA       SER  12   2.112   1.518  -1.160
   99    HB2  SER  12           HB2      SER  12   2.878   1.486  -3.538
  100    HB3  SER  12           HB1      SER  12   4.169   1.764  -2.372
  101    HG   SER  12           HG       SER  12   5.103   0.141  -3.301
  102    H    ILE  13           HN       ILE  13   2.516  -1.858  -2.154
  103    HA   ILE  13           HA       ILE  13   0.143  -1.972  -3.680
  104    HB   ILE  13           HB       ILE  13   1.655  -4.186  -2.293
  105   HG12  ILE  13          HG12      ILE  13   1.511  -3.342  -5.198
  106   HG13  ILE  13          HG11      ILE  13   2.859  -3.027  -4.112
  107   HG21  ILE  13          HG21      ILE  13  -0.646  -4.364  -4.239
  108   HG22  ILE  13          HG22      ILE  13  -0.636  -4.899  -2.558
  109   HG23  ILE  13          HG23      ILE  13   0.369  -5.721  -3.750
  110   HD11  ILE  13          HD11      ILE  13   3.254  -5.425  -3.908
  111   HD12  ILE  13          HD12      ILE  13   3.335  -4.889  -5.587
  112   HD13  ILE  13          HD13      ILE  13   1.904  -5.738  -5.000
  113    H    LEU  14           HN       LEU  14   0.809  -2.631  -0.259
  114    HA   LEU  14           HA       LEU  14  -1.819  -3.391   0.420
  115    HB2  LEU  14           HB2      LEU  14   0.164  -3.712   1.886
  116    HB3  LEU  14           HB1      LEU  14   0.204  -1.981   2.164
  117    HG   LEU  14           HG       LEU  14  -2.065  -2.136   3.172
  118   HD11  LEU  14          HD11      LEU  14  -1.600  -5.096   2.863
  119   HD12  LEU  14          HD12      LEU  14  -2.861  -4.138   2.086
  120   HD13  LEU  14          HD13      LEU  14  -2.876  -4.365   3.834
  121   HD21  LEU  14          HD21      LEU  14  -0.070  -2.123   4.573
  122   HD22  LEU  14          HD22      LEU  14   0.045  -3.878   4.438
  123   HD23  LEU  14          HD23      LEU  14  -1.327  -3.144   5.267
  124    H    ARG  15           HN       ARG  15  -0.212  -0.249   0.232
  125    HA   ARG  15           HA       ARG  15  -2.328   1.330   1.160
  126    HB2  ARG  15           HB2      ARG  15  -0.120   2.273   0.844
  127    HB3  ARG  15           HB1      ARG  15  -0.190   1.955  -0.883
  128    HG2  ARG  15           HG2      ARG  15  -1.988   3.567  -1.130
  129    HG3  ARG  15           HG1      ARG  15  -1.987   3.857   0.610
  130    HD2  ARG  15           HD2      ARG  15   0.305   4.690   0.476
  131    HD3  ARG  15           HD1      ARG  15   0.322   4.383  -1.260
  132    HE   ARG  15           HE       ARG  15  -1.850   6.069  -0.631
  133   HH11  ARG  15          HH11      ARG  15   1.651   6.138  -0.753
  134   HH12  ARG  15          HH12      ARG  15   1.728   7.828  -1.130
  135   HH21  ARG  15          HH21      ARG  15  -1.752   8.282  -1.113
  136   HH22  ARG  15          HH22      ARG  15  -0.212   9.053  -1.335
  137    H    HIS  16           HN       HIS  16  -1.661  -0.072  -1.985
  138    HA   HIS  16           HA       HIS  16  -3.793   1.229  -3.347
  139    HB2  HIS  16           HB2      HIS  16  -2.374  -1.360  -4.017
  140    HB3  HIS  16           HB1      HIS  16  -3.488  -0.518  -5.085
  141    HD1  HIS  16           HD1      HIS  16  -0.413  -1.102  -5.656
  142    HD2  HIS  16           HD2      HIS  16  -2.046   2.507  -4.395
  143    HE1  HIS  16           HE1      HIS  16   1.236   0.664  -6.348
  144    HE2  HIS  16           HE2      HIS  16   0.134   2.847  -5.747
  145    H    GLN  17           HN       GLN  17  -3.508  -1.805  -1.574
  146    HA   GLN  17           HA       GLN  17  -6.088  -2.785  -2.234
  147    HB2  GLN  17           HB2      GLN  17  -4.324  -3.391   0.148
  148    HB3  GLN  17           HB1      GLN  17  -5.800  -4.262  -0.245
  149    HG2  GLN  17           HG2      GLN  17  -3.262  -4.158  -1.859
  150    HG3  GLN  17           HG1      GLN  17  -3.941  -5.542  -1.007
  151   HE21  GLN  17          HE21      GLN  17  -3.250  -5.162  -3.834
  152   HE22  GLN  17          HE22      GLN  17  -4.692  -5.516  -4.719
  153    H    ASN  18           HN       ASN  18  -4.865  -0.608   0.193
  154    HA   ASN  18           HA       ASN  18  -7.145  -0.420   1.816
  155    HB2  ASN  18           HB2      ASN  18  -5.011   0.566   2.487
  156    HB3  ASN  18           HB1      ASN  18  -5.083   1.691   1.135
  157   HD21  ASN  18          HD21      ASN  18  -5.089   3.553   2.308
  158   HD22  ASN  18          HD22      ASN  18  -6.376   4.007   3.365
  159    H    LEU  19           HN       LEU  19  -6.201   1.296  -1.112
  160    HA   LEU  19           HA       LEU  19  -8.536   2.934  -1.212
  161    HB2  LEU  19           HB2      LEU  19  -6.552   2.234  -3.377
  162    HB3  LEU  19           HB1      LEU  19  -7.753   3.508  -3.476
  163    HG   LEU  19           HG       LEU  19  -5.431   3.428  -1.543
  164   HD11  LEU  19          HD11      LEU  19  -5.925   5.149  -3.969
  165   HD12  LEU  19          HD12      LEU  19  -4.740   3.849  -3.846
  166   HD13  LEU  19          HD13      LEU  19  -4.568   5.296  -2.853
  167   HD21  LEU  19          HD21      LEU  19  -7.560   5.515  -2.004
  168   HD22  LEU  19          HD22      LEU  19  -6.115   5.743  -1.020
  169   HD23  LEU  19          HD23      LEU  19  -7.324   4.552  -0.544
  170    H    LEU  20           HN       LEU  20  -7.492  -0.035  -2.845
  171    HA   LEU  20           HA       LEU  20  -9.716  -0.358  -4.518
  172    HB2  LEU  20           HB2      LEU  20  -7.878  -2.399  -3.271
  173    HB3  LEU  20           HB1      LEU  20  -9.086  -2.794  -4.476
  174    HG   LEU  20           HG       LEU  20  -6.799  -0.877  -4.927
  175   HD11  LEU  20          HD11      LEU  20  -7.120  -3.747  -5.791
  176   HD12  LEU  20          HD12      LEU  20  -5.978  -3.147  -4.589
  177   HD13  LEU  20          HD13      LEU  20  -5.818  -2.662  -6.277
  178   HD21  LEU  20          HD21      LEU  20  -8.743  -0.431  -6.326
  179   HD22  LEU  20          HD22      LEU  20  -8.782  -2.120  -6.828
  180   HD23  LEU  20          HD23      LEU  20  -7.420  -1.096  -7.281
  181    H    LYS  21           HN       LYS  21  -9.274  -0.979  -1.142
  182    HA   LYS  21           HA       LYS  21 -11.595  -2.605  -0.802
  183    HB2  LYS  21           HB2      LYS  21  -9.640  -2.572   0.755
  184    HB3  LYS  21           HB1      LYS  21 -10.123  -0.959   1.260
  185    HG2  LYS  21           HG2      LYS  21 -12.297  -1.911   2.006
  186    HG3  LYS  21           HG1      LYS  21 -11.663  -3.515   1.636
  187    HD2  LYS  21           HD2      LYS  21 -10.493  -1.558   3.613
  188    HD3  LYS  21           HD1      LYS  21 -11.427  -3.000   4.011
  189    HE2  LYS  21           HE2      LYS  21  -8.754  -2.940   2.606
  190    HE3  LYS  21           HE1      LYS  21  -9.038  -3.410   4.282
  191    HZ1  LYS  21           HZ1      LYS  21 -10.091  -4.805   1.883
  192    HZ2  LYS  21           HZ2      LYS  21 -10.404  -5.246   3.483
  193    HZ3  LYS  21           HZ3      LYS  21  -8.830  -5.343   2.873
  194    H    GLU  22           HN       GLU  22 -10.887   0.795   0.096
  195    HA   GLU  22           HA       GLU  22 -13.795   1.237   0.166
  196    HB2  GLU  22           HB2      GLU  22 -11.726   2.330   2.072
  197    HB3  GLU  22           HB1      GLU  22 -13.426   2.776   2.065
  198    HG2  GLU  22           HG2      GLU  22 -14.060   0.513   2.619
  199    HG3  GLU  22           HG1      GLU  22 -12.377  -0.002   2.531
  200    H    LEU  23           HN       LEU  23 -13.115   1.921  -2.137
  201    HA   LEU  23           HA       LEU  23 -12.994   4.842  -1.983
  202    HB2  LEU  23           HB2      LEU  23 -10.777   3.861  -2.761
  203    HB3  LEU  23           HB1      LEU  23 -11.628   3.303  -4.188
  204    HG   LEU  23           HG       LEU  23 -12.203   5.662  -4.723
  205   HD11  LEU  23          HD11      LEU  23 -10.371   6.265  -2.406
  206   HD12  LEU  23          HD12      LEU  23 -12.097   6.616  -2.500
  207   HD13  LEU  23          HD13      LEU  23 -10.970   7.447  -3.570
  208   HD21  LEU  23          HD21      LEU  23  -9.264   5.067  -4.406
  209   HD22  LEU  23          HD22      LEU  23  -9.959   6.294  -5.465
  210   HD23  LEU  23          HD23      LEU  23 -10.284   4.587  -5.762
  211    H    GLN  24           HN       GLN  24 -15.269   3.444  -1.991
  212    HA   GLN  24           HA       GLN  24 -16.263   3.663  -4.754
  213    HB2  GLN  24           HB2      GLN  24 -17.212   1.848  -2.532
  214    HB3  GLN  24           HB1      GLN  24 -18.007   2.014  -4.088
  215    HG2  GLN  24           HG2      GLN  24 -15.187   1.035  -3.695
  216    HG3  GLN  24           HG1      GLN  24 -16.597  -0.001  -3.909
  217   HE21  GLN  24          HE21      GLN  24 -14.383   2.180  -5.444
  218   HE22  GLN  24          HE22      GLN  24 -14.853   1.834  -7.070
  219    H    ASP  25           HN       ASP  25 -18.317   4.610  -5.040
  220    HA   ASP  25           HA       ASP  25 -19.214   6.237  -2.758
  221    HB2  ASP  25           HB2      ASP  25 -19.581   6.740  -5.725
  222    HB3  ASP  25           HB1      ASP  25 -20.228   7.752  -4.439
  Start of MODEL    5
    1    H1   PHE   1           HT1      PHE   1  16.797  12.233  -1.135
    2    H2   PHE   1           HT2      PHE   1  15.796  11.987  -2.471
    3    H3   PHE   1           HT3      PHE   1  17.371  12.549  -2.694
    4    HA   PHE   1           HA       PHE   1  17.218  10.225  -3.269
    5    HB2  PHE   1           HB2      PHE   1  19.254  11.263  -2.068
    6    HB3  PHE   1           HB1      PHE   1  18.669  10.439  -0.629
    7    HD1  PHE   1           HD1      PHE   1  18.445   7.917  -0.701
    8    HD2  PHE   1           HD2      PHE   1  20.534  10.144  -3.661
    9    HE1  PHE   1           HE1      PHE   1  19.635   5.879  -1.388
   10    HE2  PHE   1           HE2      PHE   1  21.726   8.110  -4.356
   11    HZ   PHE   1           HZ       PHE   1  21.278   5.972  -3.221
   12    H    GLU   2           HN       GLU   2  15.772   8.633  -3.075
   13    HA   GLU   2           HA       GLU   2  14.677   8.106  -0.402
   14    HB2  GLU   2           HB2      GLU   2  12.712   7.128  -1.536
   15    HB3  GLU   2           HB1      GLU   2  12.948   8.813  -1.964
   16    HG2  GLU   2           HG2      GLU   2  13.791   6.491  -3.680
   17    HG3  GLU   2           HG1      GLU   2  12.271   7.362  -3.849
   18    H    THR   3           HN       THR   3  15.167   6.258   0.548
   19    HA   THR   3           HA       THR   3  16.732   4.295  -0.867
   20    HB   THR   3           HB       THR   3  16.600   3.131   1.438
   21    HG1  THR   3           HG1      THR   3  14.963   4.207   2.439
   22   HG21  THR   3          HG21      THR   3  17.914   5.837   1.194
   23   HG22  THR   3          HG22      THR   3  18.577   4.314   0.602
   24   HG23  THR   3          HG23      THR   3  18.357   4.567   2.333
   25    H    LEU   4           HN       LEU   4  16.141   2.209  -1.348
   26    HA   LEU   4           HA       LEU   4  13.347   1.454  -0.882
   27    HB2  LEU   4           HB2      LEU   4  13.514   2.454  -3.110
   28    HB3  LEU   4           HB1      LEU   4  14.808   1.347  -3.519
   29    HG   LEU   4           HG       LEU   4  13.203  -0.541  -3.273
   30   HD11  LEU   4          HD11      LEU   4  11.616   0.526  -1.771
   31   HD12  LEU   4          HD12      LEU   4  10.812  -0.046  -3.232
   32   HD13  LEU   4          HD13      LEU   4  11.171   1.670  -3.035
   33   HD21  LEU   4          HD21      LEU   4  13.708   0.370  -5.463
   34   HD22  LEU   4          HD22      LEU   4  12.460   1.598  -5.262
   35   HD23  LEU   4          HD23      LEU   4  12.012  -0.104  -5.372
   36    H    ARG   5           HN       ARG   5  13.708  -0.215   0.469
   37    HA   ARG   5           HA       ARG   5  15.796  -2.154  -0.007
   38    HB2  ARG   5           HB2      ARG   5  13.501  -2.436   1.921
   39    HB3  ARG   5           HB1      ARG   5  15.060  -3.235   1.981
   40    HG2  ARG   5           HG2      ARG   5  16.144  -1.136   2.511
   41    HG3  ARG   5           HG1      ARG   5  14.598  -0.291   2.382
   42    HD2  ARG   5           HD2      ARG   5  13.729  -1.814   4.175
   43    HD3  ARG   5           HD1      ARG   5  15.376  -2.401   4.384
   44    HE   ARG   5           HE       ARG   5  15.990  -0.119   5.032
   45   HH11  ARG   5          HH11      ARG   5  12.578  -0.943   5.053
   46   HH12  ARG   5          HH12      ARG   5  12.174   0.244   6.250
   47   HH21  ARG   5          HH21      ARG   5  15.452   1.439   6.608
   48   HH22  ARG   5          HH22      ARG   5  13.805   1.596   7.134
   49    H    GLY   6           HN       GLY   6  12.368  -1.854  -0.578
   50    HA2  GLY   6           HA2      GLY   6  11.570  -3.344  -2.459
   51    HA3  GLY   6           HA1      GLY   6  12.267  -4.652  -1.512
   52    H    ASP   7           HN       ASP   7  11.498  -3.616   1.024
   53    HA   ASP   7           HA       ASP   7   8.967  -4.787   1.279
   54    HB2  ASP   7           HB2      ASP   7   9.022  -3.702   3.605
   55    HB3  ASP   7           HB1      ASP   7  10.275  -4.871   3.211
   56    H    GLU   8           HN       GLU   8   9.913  -1.515   0.667
   57    HA   GLU   8           HA       GLU   8   7.581  -0.163   1.389
   58    HB2  GLU   8           HB2      GLU   8   9.680   0.951   0.734
   59    HB3  GLU   8           HB1      GLU   8   9.427   0.439  -0.927
   60    HG2  GLU   8           HG2      GLU   8   7.300   1.735  -0.916
   61    HG3  GLU   8           HG1      GLU   8   7.753   2.354   0.672
   62    H    ARG   9           HN       ARG   9   8.328  -2.136  -1.398
   63    HA   ARG   9           HA       ARG   9   6.136  -1.356  -3.008
   64    HB2  ARG   9           HB2      ARG   9   7.879  -3.804  -2.947
   65    HB3  ARG   9           HB1      ARG   9   6.514  -3.686  -4.048
   66    HG2  ARG   9           HG2      ARG   9   8.775  -1.702  -3.934
   67    HG3  ARG   9           HG1      ARG   9   8.683  -3.057  -5.062
   68    HD2  ARG   9           HD2      ARG   9   6.713  -0.781  -4.836
   69    HD3  ARG   9           HD1      ARG   9   7.902  -1.004  -6.117
   70    HE   ARG   9           HE       ARG   9   6.550  -3.266  -6.340
   71   HH11  ARG   9          HH11      ARG   9   5.345  -0.011  -5.876
   72   HH12  ARG   9          HH12      ARG   9   3.865  -0.301  -6.728
   73   HH21  ARG   9          HH21      ARG   9   4.615  -3.657  -7.460
   74   HH22  ARG   9          HH22      ARG   9   3.446  -2.388  -7.634
   75    H    ILE  10           HN       ILE  10   6.538  -3.781  -0.510
   76    HA   ILE  10           HA       ILE  10   3.987  -4.984  -0.809
   77    HB   ILE  10           HB       ILE  10   5.733  -4.791   1.659
   78   HG12  ILE  10          HG12      ILE  10   5.420  -7.070  -0.308
   79   HG13  ILE  10          HG11      ILE  10   6.773  -5.947  -0.304
   80   HG21  ILE  10          HG21      ILE  10   3.402  -6.619   1.085
   81   HG22  ILE  10          HG22      ILE  10   3.418  -5.284   2.237
   82   HG23  ILE  10          HG23      ILE  10   4.446  -6.692   2.505
   83   HD11  ILE  10          HD11      ILE  10   7.384  -6.708   1.939
   84   HD12  ILE  10          HD12      ILE  10   7.366  -8.030   0.773
   85   HD13  ILE  10          HD13      ILE  10   6.034  -7.841   1.914
   86    H    LEU  11           HN       LEU  11   5.211  -2.220   0.944
   87    HA   LEU  11           HA       LEU  11   2.861  -1.659   2.435
   88    HB2  LEU  11           HB2      LEU  11   5.245  -0.855   2.864
   89    HB3  LEU  11           HB1      LEU  11   4.982   0.317   1.593
   90    HG   LEU  11           HG       LEU  11   3.224   0.193   4.040
   91   HD11  LEU  11          HD11      LEU  11   5.736   1.803   3.610
   92   HD12  LEU  11          HD12      LEU  11   5.511   0.510   4.787
   93   HD13  LEU  11          HD13      LEU  11   4.601   2.013   4.945
   94   HD21  LEU  11          HD21      LEU  11   3.812   2.386   2.050
   95   HD22  LEU  11          HD22      LEU  11   2.751   2.520   3.453
   96   HD23  LEU  11          HD23      LEU  11   2.331   1.432   2.132
   97    H    SER  12           HN       SER  12   4.144  -0.426  -0.657
   98    HA   SER  12           HA       SER  12   2.040   1.440  -1.027
   99    HB2  SER  12           HB2      SER  12   2.902   1.545  -3.383
  100    HB3  SER  12           HB1      SER  12   4.115   1.841  -2.139
  101    HG   SER  12           HG       SER  12   5.012   0.419  -3.560
  102    H    ILE  13           HN       ILE  13   2.509  -1.906  -1.987
  103    HA   ILE  13           HA       ILE  13   0.178  -2.059  -3.596
  104    HB   ILE  13           HB       ILE  13   1.706  -4.219  -2.142
  105   HG12  ILE  13          HG12      ILE  13   1.526  -3.487  -5.075
  106   HG13  ILE  13          HG11      ILE  13   2.875  -3.098  -4.014
  107   HG21  ILE  13          HG21      ILE  13  -0.560  -4.542  -4.109
  108   HG22  ILE  13          HG22      ILE  13  -0.620  -4.916  -2.388
  109   HG23  ILE  13          HG23      ILE  13   0.431  -5.845  -3.456
  110   HD11  ILE  13          HD11      ILE  13   3.398  -5.002  -5.405
  111   HD12  ILE  13          HD12      ILE  13   1.978  -5.859  -4.805
  112   HD13  ILE  13          HD13      ILE  13   3.310  -5.486  -3.711
  113    H    LEU  14           HN       LEU  14   0.809  -2.568  -0.161
  114    HA   LEU  14           HA       LEU  14  -1.808  -3.279   0.585
  115    HB2  LEU  14           HB2      LEU  14   0.108  -3.499   2.097
  116    HB3  LEU  14           HB1      LEU  14   0.279  -1.756   2.147
  117    HG   LEU  14           HG       LEU  14  -1.981  -1.615   3.193
  118   HD11  LEU  14          HD11      LEU  14  -2.937  -3.654   4.155
  119   HD12  LEU  14          HD12      LEU  14  -1.712  -4.614   3.325
  120   HD13  LEU  14          HD13      LEU  14  -2.903  -3.707   2.394
  121   HD21  LEU  14          HD21      LEU  14   0.049  -3.298   4.658
  122   HD22  LEU  14          HD22      LEU  14  -1.254  -2.372   5.399
  123   HD23  LEU  14          HD23      LEU  14   0.046  -1.538   4.549
  124    H    ARG  15           HN       ARG  15  -0.223  -0.157   0.146
  125    HA   ARG  15           HA       ARG  15  -2.371   1.465   0.940
  126    HB2  ARG  15           HB2      ARG  15  -0.061   2.293   0.582
  127    HB3  ARG  15           HB1      ARG  15  -0.269   2.067  -1.150
  128    HG2  ARG  15           HG2      ARG  15  -2.070   3.704  -1.159
  129    HG3  ARG  15           HG1      ARG  15  -1.885   3.923   0.582
  130    HD2  ARG  15           HD2      ARG  15   0.475   4.630   0.157
  131    HD3  ARG  15           HD1      ARG  15   0.116   4.582  -1.569
  132    HE   ARG  15           HE       ARG  15  -1.718   6.206  -0.056
  133   HH11  ARG  15          HH11      ARG  15   1.363   6.159  -1.720
  134   HH12  ARG  15          HH12      ARG  15   1.382   7.870  -2.000
  135   HH21  ARG  15          HH21      ARG  15  -1.690   8.463  -0.417
  136   HH22  ARG  15          HH22      ARG  15  -0.349   9.178  -1.254
  137    H    HIS  16           HN       HIS  16  -1.642  -0.181  -2.057
  138    HA   HIS  16           HA       HIS  16  -3.691   1.009  -3.615
  139    HB2  HIS  16           HB2      HIS  16  -2.281  -1.645  -3.855
  140    HB3  HIS  16           HB1      HIS  16  -3.516  -1.124  -4.990
  141    HD1  HIS  16           HD1      HIS  16  -1.053  -1.598  -6.379
  142    HD2  HIS  16           HD2      HIS  16  -1.646   1.992  -4.366
  143    HE1  HIS  16           HE1      HIS  16   0.533   0.039  -7.435
  144    HE2  HIS  16           HE2      HIS  16  -0.002   2.245  -6.348
  145    H    GLN  17           HN       GLN  17  -3.638  -1.617  -1.306
  146    HA   GLN  17           HA       GLN  17  -6.231  -2.611  -1.934
  147    HB2  GLN  17           HB2      GLN  17  -4.675  -2.838   0.649
  148    HB3  GLN  17           HB1      GLN  17  -6.126  -3.745   0.256
  149    HG2  GLN  17           HG2      GLN  17  -3.383  -4.003  -0.930
  150    HG3  GLN  17           HG1      GLN  17  -4.357  -5.225  -0.121
  151   HE21  GLN  17          HE21      GLN  17  -3.642  -3.651  -3.086
  152   HE22  GLN  17          HE22      GLN  17  -4.678  -4.603  -4.092
  153    H    ASN  18           HN       ASN  18  -4.997  -0.037   0.056
  154    HA   ASN  18           HA       ASN  18  -7.370   0.571   1.460
  155    HB2  ASN  18           HB2      ASN  18  -5.294   1.555   2.192
  156    HB3  ASN  18           HB1      ASN  18  -5.043   2.313   0.625
  157   HD21  ASN  18          HD21      ASN  18  -4.952   4.402   1.336
  158   HD22  ASN  18          HD22      ASN  18  -6.296   5.225   2.038
  159    H    LEU  19           HN       LEU  19  -6.075   1.689  -1.623
  160    HA   LEU  19           HA       LEU  19  -8.262   3.441  -2.177
  161    HB2  LEU  19           HB2      LEU  19  -6.200   2.291  -4.059
  162    HB3  LEU  19           HB1      LEU  19  -7.238   3.667  -4.382
  163    HG   LEU  19           HG       LEU  19  -5.107   3.573  -2.241
  164   HD11  LEU  19          HD11      LEU  19  -4.148   3.572  -4.487
  165   HD12  LEU  19          HD12      LEU  19  -3.873   5.109  -3.669
  166   HD13  LEU  19          HD13      LEU  19  -5.122   4.980  -4.905
  167   HD21  LEU  19          HD21      LEU  19  -6.942   5.048  -1.647
  168   HD22  LEU  19          HD22      LEU  19  -6.843   5.834  -3.221
  169   HD23  LEU  19          HD23      LEU  19  -5.512   5.986  -2.076
  170    H    LEU  20           HN       LEU  20  -7.456   0.128  -2.912
  171    HA   LEU  20           HA       LEU  20  -9.564  -0.324  -4.768
  172    HB2  LEU  20           HB2      LEU  20  -7.504  -1.699  -4.614
  173    HB3  LEU  20           HB1      LEU  20  -8.048  -2.298  -3.061
  174    HG   LEU  20           HG       LEU  20  -9.994  -3.344  -4.159
  175   HD11  LEU  20          HD11      LEU  20  -8.678  -2.384  -6.694
  176   HD12  LEU  20          HD12      LEU  20 -10.240  -1.866  -6.059
  177   HD13  LEU  20          HD13      LEU  20 -10.018  -3.526  -6.611
  178   HD21  LEU  20          HD21      LEU  20  -7.936  -4.615  -3.780
  179   HD22  LEU  20          HD22      LEU  20  -7.338  -4.112  -5.362
  180   HD23  LEU  20          HD23      LEU  20  -8.765  -5.142  -5.244
  181    H    LYS  21           HN       LYS  21  -9.465   0.049  -1.399
  182    HA   LYS  21           HA       LYS  21 -11.931  -1.445  -0.969
  183    HB2  LYS  21           HB2      LYS  21  -9.991  -1.515   0.669
  184    HB3  LYS  21           HB1      LYS  21 -10.374   0.151   1.064
  185    HG2  LYS  21           HG2      LYS  21 -12.520  -0.461   1.906
  186    HG3  LYS  21           HG1      LYS  21 -12.334  -2.114   1.325
  187    HD2  LYS  21           HD2      LYS  21 -10.390  -0.947   3.285
  188    HD3  LYS  21           HD1      LYS  21 -11.930  -1.605   3.832
  189    HE2  LYS  21           HE2      LYS  21 -10.285  -3.328   4.031
  190    HE3  LYS  21           HE1      LYS  21 -11.342  -3.745   2.687
  191    HZ1  LYS  21           HZ1      LYS  21  -8.961  -4.107   2.233
  192    HZ2  LYS  21           HZ2      LYS  21  -8.691  -2.446   2.378
  193    HZ3  LYS  21           HZ3      LYS  21  -9.682  -3.037   1.144
  194    H    GLU  22           HN       GLU  22 -12.824   0.165  -2.578
  195    HA   GLU  22           HA       GLU  22 -13.588   2.706  -1.361
  196    HB2  GLU  22           HB2      GLU  22 -12.809   2.664  -3.719
  197    HB3  GLU  22           HB1      GLU  22 -14.155   1.611  -4.128
  198    HG2  GLU  22           HG2      GLU  22 -14.597   3.906  -4.781
  199    HG3  GLU  22           HG1      GLU  22 -15.729   3.367  -3.542
  200    H    LEU  23           HN       LEU  23 -15.747   3.251  -0.963
  201    HA   LEU  23           HA       LEU  23 -17.909   2.953  -0.356
  202    HB2  LEU  23           HB2      LEU  23 -18.193   2.168  -2.690
  203    HB3  LEU  23           HB1      LEU  23 -17.847   0.534  -2.163
  204    HG   LEU  23           HG       LEU  23 -19.869   0.573  -0.750
  205   HD11  LEU  23          HD11      LEU  23 -20.016   2.943  -0.303
  206   HD12  LEU  23          HD12      LEU  23 -21.504   2.381  -1.063
  207   HD13  LEU  23          HD13      LEU  23 -20.313   3.272  -2.010
  208   HD21  LEU  23          HD21      LEU  23 -21.495   0.484  -2.579
  209   HD22  LEU  23          HD22      LEU  23 -19.991  -0.331  -3.003
  210   HD23  LEU  23          HD23      LEU  23 -20.333   1.275  -3.644
  211    H    GLN  24           HN       GLN  24 -17.429   2.590   1.740
  212    HA   GLN  24           HA       GLN  24 -17.592   1.561   3.738
  213    HB2  GLN  24           HB2      GLN  24 -18.421  -0.849   2.129
  214    HB3  GLN  24           HB1      GLN  24 -18.373  -0.815   3.886
  215    HG2  GLN  24           HG2      GLN  24 -19.967   1.125   3.776
  216    HG3  GLN  24           HG1      GLN  24 -20.137   0.780   2.054
  217   HE21  GLN  24          HE21      GLN  24 -21.138  -1.138   1.408
  218   HE22  GLN  24          HE22      GLN  24 -22.138  -2.049   2.485
  219    H    ASP  25           HN       ASP  25 -16.479   0.048   5.134
  220    HA   ASP  25           HA       ASP  25 -13.833  -0.592   4.041
  221    HB2  ASP  25           HB2      ASP  25 -13.950   0.974   5.983
  222    HB3  ASP  25           HB1      ASP  25 -14.682  -0.312   6.937
  Start of MODEL    6
    1    H1   PHE   1           HT1      PHE   1  17.463  10.563  -3.508
    2    H2   PHE   1           HT2      PHE   1  15.878  10.152  -3.923
    3    H3   PHE   1           HT3      PHE   1  17.173   9.459  -4.757
    4    HA   PHE   1           HA       PHE   1  17.885   8.290  -2.810
    5    HB2  PHE   1           HB2      PHE   1  17.117  10.013  -1.196
    6    HB3  PHE   1           HB1      PHE   1  15.454   9.539  -1.510
    7    HD1  PHE   1           HD1      PHE   1  14.462   7.809  -0.308
    8    HD2  PHE   1           HD2      PHE   1  18.688   8.280  -0.214
    9    HE1  PHE   1           HE1      PHE   1  14.609   6.103   1.454
   10    HE2  PHE   1           HE2      PHE   1  18.842   6.578   1.551
   11    HZ   PHE   1           HZ       PHE   1  16.795   5.541   2.442
   12    H    GLU   2           HN       GLU   2  17.449   6.260  -3.357
   13    HA   GLU   2           HA       GLU   2  14.690   5.358  -3.411
   14    HB2  GLU   2           HB2      GLU   2  15.097   4.110  -5.567
   15    HB3  GLU   2           HB1      GLU   2  14.958   5.854  -5.731
   16    HG2  GLU   2           HG2      GLU   2  17.347   6.068  -5.929
   17    HG3  GLU   2           HG1      GLU   2  17.556   4.343  -5.637
   18    H    THR   3           HN       THR   3  14.683   3.773  -1.981
   19    HA   THR   3           HA       THR   3  16.956   1.905  -1.959
   20    HB   THR   3           HB       THR   3  16.287   1.573   0.500
   21    HG1  THR   3           HG1      THR   3  14.311   2.826   0.271
   22   HG21  THR   3          HG21      THR   3  18.358   2.672  -0.203
   23   HG22  THR   3          HG22      THR   3  17.676   3.445   1.227
   24   HG23  THR   3          HG23      THR   3  17.497   4.203  -0.355
   25    H    LEU   4           HN       LEU   4  16.264   0.092  -2.915
   26    HA   LEU   4           HA       LEU   4  13.529  -0.807  -2.546
   27    HB2  LEU   4           HB2      LEU   4  14.500  -0.922  -4.781
   28    HB3  LEU   4           HB1      LEU   4  15.786  -1.955  -4.186
   29    HG   LEU   4           HG       LEU   4  14.174  -3.728  -3.713
   30   HD11  LEU   4          HD11      LEU   4  12.225  -2.436  -3.160
   31   HD12  LEU   4          HD12      LEU   4  11.843  -3.497  -4.517
   32   HD13  LEU   4          HD13      LEU   4  12.146  -1.782  -4.794
   33   HD21  LEU   4          HD21      LEU   4  13.569  -4.273  -6.020
   34   HD22  LEU   4          HD22      LEU   4  15.217  -3.655  -5.912
   35   HD23  LEU   4          HD23      LEU   4  13.923  -2.614  -6.504
   36    H    ARG   5           HN       ARG   5  13.533  -1.328  -0.391
   37    HA   ARG   5           HA       ARG   5  15.314  -3.460   0.525
   38    HB2  ARG   5           HB2      ARG   5  13.264  -1.883   2.087
   39    HB3  ARG   5           HB1      ARG   5  14.476  -2.965   2.753
   40    HG2  ARG   5           HG2      ARG   5  16.245  -1.497   2.073
   41    HG3  ARG   5           HG1      ARG   5  15.106  -0.458   1.216
   42    HD2  ARG   5           HD2      ARG   5  14.008   0.077   3.337
   43    HD3  ARG   5           HD1      ARG   5  15.148  -0.962   4.191
   44    HE   ARG   5           HE       ARG   5  16.891   0.632   3.198
   45   HH11  ARG   5          HH11      ARG   5  13.656   1.608   4.141
   46   HH12  ARG   5          HH12      ARG   5  14.128   3.236   4.509
   47   HH21  ARG   5          HH21      ARG   5  17.494   2.777   3.670
   48   HH22  ARG   5          HH22      ARG   5  16.298   3.900   4.236
   49    H    GLY   6           HN       GLY   6  12.248  -3.007  -0.771
   50    HA2  GLY   6           HA2      GLY   6  11.009  -4.941  -1.504
   51    HA3  GLY   6           HA1      GLY   6  11.515  -5.763  -0.039
   52    H    ASP   7           HN       ASP   7  10.953  -3.609   1.752
   53    HA   ASP   7           HA       ASP   7   8.284  -4.353   2.294
   54    HB2  ASP   7           HB2      ASP   7   8.426  -2.885   4.236
   55    HB3  ASP   7           HB1      ASP   7   9.861  -3.891   4.096
   56    H    GLU   8           HN       GLU   8   9.672  -1.457   0.832
   57    HA   GLU   8           HA       GLU   8   7.363   0.140   1.076
   58    HB2  GLU   8           HB2      GLU   8   9.490   1.166   0.538
   59    HB3  GLU   8           HB1      GLU   8   9.570   0.277  -0.974
   60    HG2  GLU   8           HG2      GLU   8   7.723   1.484  -1.868
   61    HG3  GLU   8           HG1      GLU   8   7.412   2.255  -0.317
   62    H    ARG   9           HN       ARG   9   8.331  -2.282  -1.253
   63    HA   ARG   9           HA       ARG   9   6.326  -1.751  -3.175
   64    HB2  ARG   9           HB2      ARG   9   7.934  -4.203  -2.510
   65    HB3  ARG   9           HB1      ARG   9   6.688  -4.236  -3.748
   66    HG2  ARG   9           HG2      ARG   9   8.975  -2.285  -3.772
   67    HG3  ARG   9           HG1      ARG   9   9.027  -3.857  -4.571
   68    HD2  ARG   9           HD2      ARG   9   7.001  -1.687  -5.114
   69    HD3  ARG   9           HD1      ARG   9   8.408  -2.040  -6.115
   70    HE   ARG   9           HE       ARG   9   6.812  -4.362  -5.760
   71   HH11  ARG   9          HH11      ARG   9   6.935  -1.333  -7.508
   72   HH12  ARG   9          HH12      ARG   9   5.999  -1.922  -8.844
   73   HH21  ARG   9          HH21      ARG   9   5.570  -5.138  -7.508
   74   HH22  ARG   9          HH22      ARG   9   5.229  -4.091  -8.848
   75    H    ILE  10           HN       ILE  10   6.438  -3.875  -0.357
   76    HA   ILE  10           HA       ILE  10   3.791  -4.860  -0.655
   77    HB   ILE  10           HB       ILE  10   5.498  -4.643   1.834
   78   HG12  ILE  10          HG12      ILE  10   4.957  -6.982  -0.013
   79   HG13  ILE  10          HG11      ILE  10   6.463  -6.078   0.077
   80   HG21  ILE  10          HG21      ILE  10   3.976  -6.315   2.801
   81   HG22  ILE  10          HG22      ILE  10   2.948  -6.186   1.373
   82   HG23  ILE  10          HG23      ILE  10   3.156  -4.797   2.438
   83   HD11  ILE  10          HD11      ILE  10   6.614  -8.196   1.257
   84   HD12  ILE  10          HD12      ILE  10   5.267  -7.722   2.294
   85   HD13  ILE  10          HD13      ILE  10   6.791  -6.836   2.365
   86    H    LEU  11           HN       LEU  11   5.221  -2.168   1.124
   87    HA   LEU  11           HA       LEU  11   2.965  -1.285   2.503
   88    HB2  LEU  11           HB2      LEU  11   5.337  -0.536   2.833
   89    HB3  LEU  11           HB1      LEU  11   5.188   0.421   1.377
   90    HG   LEU  11           HG       LEU  11   3.322   0.882   3.682
   91   HD11  LEU  11          HD11      LEU  11   6.081   2.046   3.334
   92   HD12  LEU  11          HD12      LEU  11   5.555   0.969   4.628
   93   HD13  LEU  11          HD13      LEU  11   4.877   2.592   4.502
   94   HD21  LEU  11          HD21      LEU  11   4.411   2.662   1.501
   95   HD22  LEU  11          HD22      LEU  11   3.286   3.156   2.766
   96   HD23  LEU  11          HD23      LEU  11   2.791   1.966   1.562
   97    H    SER  12           HN       SER  12   4.148  -0.379  -0.726
   98    HA   SER  12           HA       SER  12   2.086   1.527  -1.164
   99    HB2  SER  12           HB2      SER  12   2.920   1.416  -3.555
  100    HB3  SER  12           HB1      SER  12   4.118   1.856  -2.340
  101    HG   SER  12           HG       SER  12   5.062  -0.082  -2.524
  102    H    ILE  13           HN       ILE  13   2.519  -1.860  -2.091
  103    HA   ILE  13           HA       ILE  13   0.179  -1.966  -3.695
  104    HB   ILE  13           HB       ILE  13   1.773  -4.146  -2.355
  105   HG12  ILE  13          HG12      ILE  13   1.515  -3.249  -5.237
  106   HG13  ILE  13          HG11      ILE  13   2.887  -2.933  -4.183
  107   HG21  ILE  13          HG21      ILE  13  -0.536  -4.432  -4.278
  108   HG22  ILE  13          HG22      ILE  13  -0.533  -4.900  -2.578
  109   HG23  ILE  13          HG23      ILE  13   0.510  -5.740  -3.724
  110   HD11  ILE  13          HD11      ILE  13   3.333  -5.330  -4.055
  111   HD12  ILE  13          HD12      ILE  13   3.368  -4.739  -5.716
  112   HD13  ILE  13          HD13      ILE  13   1.966  -5.633  -5.128
  113    H    LEU  14           HN       LEU  14   0.819  -2.723  -0.285
  114    HA   LEU  14           HA       LEU  14  -1.825  -3.460   0.361
  115    HB2  LEU  14           HB2      LEU  14   0.104  -3.849   1.850
  116    HB3  LEU  14           HB1      LEU  14   0.247  -2.120   2.108
  117    HG   LEU  14           HG       LEU  14  -1.998  -2.119   3.158
  118   HD11  LEU  14          HD11      LEU  14  -2.956  -4.050   2.059
  119   HD12  LEU  14          HD12      LEU  14  -2.994  -4.267   3.808
  120   HD13  LEU  14          HD13      LEU  14  -1.783  -5.107   2.842
  121   HD21  LEU  14          HD21      LEU  14  -0.007  -4.029   4.374
  122   HD22  LEU  14          HD22      LEU  14  -1.313  -3.215   5.235
  123   HD23  LEU  14          HD23      LEU  14   0.001  -2.273   4.535
  124    H    ARG  15           HN       ARG  15  -0.177  -0.352   0.165
  125    HA   ARG  15           HA       ARG  15  -2.236   1.285   1.102
  126    HB2  ARG  15           HB2      ARG  15   0.043   2.098   0.686
  127    HB3  ARG  15           HB1      ARG  15  -0.189   1.873  -1.041
  128    HG2  ARG  15           HG2      ARG  15  -1.928   3.574  -1.046
  129    HG3  ARG  15           HG1      ARG  15  -1.737   3.784   0.696
  130    HD2  ARG  15           HD2      ARG  15   0.608   4.448   0.329
  131    HD3  ARG  15           HD1      ARG  15   0.358   4.302  -1.409
  132    HE   ARG  15           HE       ARG  15  -1.583   6.053  -0.465
  133   HH11  ARG  15          HH11      ARG  15   1.905   5.896  -0.672
  134   HH12  ARG  15          HH12      ARG  15   2.109   7.617  -0.736
  135   HH21  ARG  15          HH21      ARG  15  -1.331   8.318  -0.566
  136   HH22  ARG  15          HH22      ARG  15   0.262   9.001  -0.675
  137    H    HIS  16           HN       HIS  16  -1.676  -0.177  -2.035
  138    HA   HIS  16           HA       HIS  16  -3.736   1.182  -3.429
  139    HB2  HIS  16           HB2      HIS  16  -2.487  -1.524  -3.953
  140    HB3  HIS  16           HB1      HIS  16  -3.607  -0.725  -5.047
  141    HD1  HIS  16           HD1      HIS  16  -0.999  -1.360  -6.247
  142    HD2  HIS  16           HD2      HIS  16  -1.608   2.144  -4.090
  143    HE1  HIS  16           HE1      HIS  16   0.789   0.230  -7.020
  144    HE2  HIS  16           HE2      HIS  16   0.306   2.390  -5.818
  145    H    GLN  17           HN       GLN  17  -3.670  -1.680  -1.420
  146    HA   GLN  17           HA       GLN  17  -6.358  -2.467  -2.017
  147    HB2  GLN  17           HB2      GLN  17  -4.443  -3.248   0.181
  148    HB3  GLN  17           HB1      GLN  17  -6.070  -3.901   0.060
  149    HG2  GLN  17           HG2      GLN  17  -3.907  -4.160  -2.023
  150    HG3  GLN  17           HG1      GLN  17  -4.436  -5.419  -0.907
  151   HE21  GLN  17          HE21      GLN  17  -4.443  -5.328  -3.840
  152   HE22  GLN  17          HE22      GLN  17  -6.083  -5.613  -4.315
  153    H    ASN  18           HN       ASN  18  -4.788  -0.493   0.429
  154    HA   ASN  18           HA       ASN  18  -7.063  -0.049   2.043
  155    HB2  ASN  18           HB2      ASN  18  -4.789   0.517   2.803
  156    HB3  ASN  18           HB1      ASN  18  -4.685   1.765   1.566
  157   HD21  ASN  18          HD21      ASN  18  -4.441   3.486   2.947
  158   HD22  ASN  18          HD22      ASN  18  -5.684   4.014   4.022
  159    H    LEU  19           HN       LEU  19  -5.845   1.512  -0.852
  160    HA   LEU  19           HA       LEU  19  -7.905   3.532  -0.841
  161    HB2  LEU  19           HB2      LEU  19  -5.957   2.733  -3.003
  162    HB3  LEU  19           HB1      LEU  19  -6.972   4.161  -3.024
  163    HG   LEU  19           HG       LEU  19  -4.733   3.606  -1.077
  164   HD11  LEU  19          HD11      LEU  19  -3.648   5.507  -2.177
  165   HD12  LEU  19          HD12      LEU  19  -4.976   5.587  -3.335
  166   HD13  LEU  19          HD13      LEU  19  -3.925   4.170  -3.293
  167   HD21  LEU  19          HD21      LEU  19  -6.513   4.838   0.010
  168   HD22  LEU  19          HD22      LEU  19  -6.571   5.984  -1.329
  169   HD23  LEU  19          HD23      LEU  19  -5.142   5.902  -0.298
  170    H    LEU  20           HN       LEU  20  -7.959   0.336  -1.409
  171    HA   LEU  20           HA       LEU  20 -10.149   0.553  -3.361
  172    HB2  LEU  20           HB2      LEU  20  -8.038  -0.680  -4.093
  173    HB3  LEU  20           HB1      LEU  20  -8.440  -1.888  -2.891
  174    HG   LEU  20           HG       LEU  20 -10.609  -2.257  -4.074
  175   HD11  LEU  20          HD11      LEU  20  -9.357  -0.472  -6.155
  176   HD12  LEU  20          HD12      LEU  20 -10.805  -0.124  -5.209
  177   HD13  LEU  20          HD13      LEU  20 -10.813  -1.443  -6.379
  178   HD21  LEU  20          HD21      LEU  20  -9.636  -3.548  -5.892
  179   HD22  LEU  20          HD22      LEU  20  -8.686  -3.720  -4.416
  180   HD23  LEU  20          HD23      LEU  20  -8.116  -2.672  -5.716
  181    H    LYS  21           HN       LYS  21 -10.206   0.837  -0.461
  182    HA   LYS  21           HA       LYS  21 -11.331  -1.593   0.596
  183    HB2  LYS  21           HB2      LYS  21 -11.716  -0.267   2.637
  184    HB3  LYS  21           HB1      LYS  21 -10.062  -0.138   2.069
  185    HG2  LYS  21           HG2      LYS  21 -10.587   2.049   1.079
  186    HG3  LYS  21           HG1      LYS  21 -12.231   1.920   1.707
  187    HD2  LYS  21           HD2      LYS  21 -11.350   1.812   3.988
  188    HD3  LYS  21           HD1      LYS  21  -9.705   1.937   3.362
  189    HE2  LYS  21           HE2      LYS  21 -10.450   4.099   4.159
  190    HE3  LYS  21           HE1      LYS  21 -10.258   4.139   2.408
  191    HZ1  LYS  21           HZ1      LYS  21 -12.288   5.234   3.094
  192    HZ2  LYS  21           HZ2      LYS  21 -12.830   3.829   3.857
  193    HZ3  LYS  21           HZ3      LYS  21 -12.647   3.861   2.177
  194    H    GLU  22           HN       GLU  22 -12.762  -1.184  -1.541
  195    HA   GLU  22           HA       GLU  22 -14.981   0.518  -1.410
  196    HB2  GLU  22           HB2      GLU  22 -14.237  -0.607  -3.463
  197    HB3  GLU  22           HB1      GLU  22 -14.701  -2.159  -2.783
  198    HG2  GLU  22           HG2      GLU  22 -17.043  -1.308  -2.652
  199    HG3  GLU  22           HG1      GLU  22 -16.509   0.113  -3.550
  200    H    LEU  23           HN       LEU  23 -16.459   0.522   0.164
  201    HA   LEU  23           HA       LEU  23 -17.320  -2.064   1.268
  202    HB2  LEU  23           HB2      LEU  23 -16.279  -0.508   2.886
  203    HB3  LEU  23           HB1      LEU  23 -17.510   0.680   2.511
  204    HG   LEU  23           HG       LEU  23 -19.237  -0.858   3.380
  205   HD11  LEU  23          HD11      LEU  23 -18.106  -2.970   2.976
  206   HD12  LEU  23          HD12      LEU  23 -18.549  -2.817   4.674
  207   HD13  LEU  23          HD13      LEU  23 -16.877  -2.560   4.173
  208   HD21  LEU  23          HD21      LEU  23 -18.287   0.850   4.825
  209   HD22  LEU  23          HD22      LEU  23 -16.985  -0.244   5.288
  210   HD23  LEU  23          HD23      LEU  23 -18.649  -0.610   5.746
  211    H    GLN  24           HN       GLN  24 -18.962  -2.596  -0.084
  212    HA   GLN  24           HA       GLN  24 -20.967  -0.675  -0.867
  213    HB2  GLN  24           HB2      GLN  24 -20.802  -3.671  -1.247
  214    HB3  GLN  24           HB1      GLN  24 -22.067  -2.655  -1.920
  215    HG2  GLN  24           HG2      GLN  24 -20.346  -1.416  -3.191
  216    HG3  GLN  24           HG1      GLN  24 -19.130  -2.533  -2.572
  217   HE21  GLN  24          HE21      GLN  24 -18.592  -3.264  -4.634
  218   HE22  GLN  24          HE22      GLN  24 -19.653  -4.295  -5.540
  219    H    ASP  25           HN       ASP  25 -21.288  -0.221   1.527
  220    HA   ASP  25           HA       ASP  25 -22.900  -2.200   2.931
  221    HB2  ASP  25           HB2      ASP  25 -21.154  -1.092   4.214
  222    HB3  ASP  25           HB1      ASP  25 -21.817   0.487   3.808
  Start of MODEL    7
    1    H1   PHE   1           HT1      PHE   1  22.098   3.943   4.439
    2    H2   PHE   1           HT2      PHE   1  21.529   3.191   5.839
    3    H3   PHE   1           HT3      PHE   1  21.828   4.852   5.837
    4    HA   PHE   1           HA       PHE   1  19.470   4.362   5.723
    5    HB2  PHE   1           HB2      PHE   1  20.453   6.407   4.644
    6    HB3  PHE   1           HB1      PHE   1  20.505   5.522   3.125
    7    HD1  PHE   1           HD1      PHE   1  18.197   6.751   5.750
    8    HD2  PHE   1           HD2      PHE   1  18.643   5.422   1.733
    9    HE1  PHE   1           HE1      PHE   1  15.885   7.436   5.270
   10    HE2  PHE   1           HE2      PHE   1  16.331   6.103   1.247
   11    HZ   PHE   1           HZ       PHE   1  14.944   7.111   3.032
   12    H    GLU   2           HN       GLU   2  20.907   3.611   2.532
   13    HA   GLU   2           HA       GLU   2  20.532   1.968   1.028
   14    HB2  GLU   2           HB2      GLU   2  20.937   0.367   2.796
   15    HB3  GLU   2           HB1      GLU   2  19.298   0.555   3.399
   16    HG2  GLU   2           HG2      GLU   2  19.559  -1.526   2.189
   17    HG3  GLU   2           HG1      GLU   2  18.420  -0.461   1.372
   18    H    THR   3           HN       THR   3  19.175   2.346  -0.572
   19    HA   THR   3           HA       THR   3  16.478   3.212  -0.073
   20    HB   THR   3           HB       THR   3  16.419   3.092  -2.672
   21    HG1  THR   3           HG1      THR   3  18.404   1.808  -2.725
   22   HG21  THR   3          HG21      THR   3  17.543   5.259  -2.826
   23   HG22  THR   3          HG22      THR   3  18.270   4.999  -1.241
   24   HG23  THR   3          HG23      THR   3  16.522   5.171  -1.393
   25    H    LEU   4           HN       LEU   4  16.124   1.048   1.059
   26    HA   LEU   4           HA       LEU   4  15.797  -1.272  -0.603
   27    HB2  LEU   4           HB2      LEU   4  16.448  -1.426   1.774
   28    HB3  LEU   4           HB1      LEU   4  14.884  -0.779   2.231
   29    HG   LEU   4           HG       LEU   4  13.820  -2.778   1.165
   30   HD11  LEU   4          HD11      LEU   4  16.667  -3.752   1.010
   31   HD12  LEU   4          HD12      LEU   4  15.630  -3.362  -0.361
   32   HD13  LEU   4          HD13      LEU   4  15.226  -4.715   0.692
   33   HD21  LEU   4          HD21      LEU   4  14.169  -2.678   3.570
   34   HD22  LEU   4          HD22      LEU   4  15.796  -3.325   3.372
   35   HD23  LEU   4          HD23      LEU   4  14.397  -4.322   2.972
   36    H    ARG   5           HN       ARG   5  14.199  -1.349  -2.025
   37    HA   ARG   5           HA       ARG   5  11.645  -0.092  -1.338
   38    HB2  ARG   5           HB2      ARG   5  12.648  -1.023  -4.026
   39    HB3  ARG   5           HB1      ARG   5  11.130  -0.190  -3.731
   40    HG2  ARG   5           HG2      ARG   5  12.505   1.715  -2.804
   41    HG3  ARG   5           HG1      ARG   5  13.918   0.892  -3.469
   42    HD2  ARG   5           HD2      ARG   5  13.171   2.534  -5.052
   43    HD3  ARG   5           HD1      ARG   5  12.820   0.929  -5.695
   44    HE   ARG   5           HE       ARG   5  10.633   2.147  -4.237
   45   HH11  ARG   5          HH11      ARG   5  12.158   1.731  -7.373
   46   HH12  ARG   5          HH12      ARG   5  10.719   2.122  -8.258
   47   HH21  ARG   5          HH21      ARG   5   8.753   2.662  -5.402
   48   HH22  ARG   5          HH22      ARG   5   8.780   2.657  -7.139
   49    H    GLY   6           HN       GLY   6  13.010  -3.065  -1.191
   50    HA2  GLY   6           HA2      GLY   6  11.109  -4.821  -2.250
   51    HA3  GLY   6           HA1      GLY   6  12.139  -5.176  -0.871
   52    H    ASP   7           HN       ASP   7  11.323  -3.612   1.093
   53    HA   ASP   7           HA       ASP   7   8.777  -4.670   1.810
   54    HB2  ASP   7           HB2      ASP   7   9.071  -3.477   3.905
   55    HB3  ASP   7           HB1      ASP   7  10.581  -4.264   3.460
   56    H    GLU   8           HN       GLU   8   9.921  -1.737   0.426
   57    HA   GLU   8           HA       GLU   8   7.761  -0.036   1.006
   58    HB2  GLU   8           HB2      GLU   8   9.963   0.717   0.164
   59    HB3  GLU   8           HB1      GLU   8   9.598  -0.011  -1.392
   60    HG2  GLU   8           HG2      GLU   8   7.645   1.513  -1.567
   61    HG3  GLU   8           HG1      GLU   8   8.197   2.306  -0.093
   62    H    ARG   9           HN       ARG   9   8.350  -2.375  -1.557
   63    HA   ARG   9           HA       ARG   9   6.152  -1.770  -3.198
   64    HB2  ARG   9           HB2      ARG   9   7.655  -4.337  -2.713
   65    HB3  ARG   9           HB1      ARG   9   6.343  -4.224  -3.877
   66    HG2  ARG   9           HG2      ARG   9   8.819  -2.515  -3.956
   67    HG3  ARG   9           HG1      ARG   9   8.615  -4.017  -4.861
   68    HD2  ARG   9           HD2      ARG   9   6.874  -1.563  -5.096
   69    HD3  ARG   9           HD1      ARG   9   8.128  -2.046  -6.236
   70    HE   ARG   9           HE       ARG   9   6.661  -4.185  -6.390
   71   HH11  ARG   9          HH11      ARG   9   5.529  -0.889  -6.083
   72   HH12  ARG   9          HH12      ARG   9   4.025  -1.198  -6.887
   73   HH21  ARG   9          HH21      ARG   9   4.679  -4.584  -7.475
   74   HH22  ARG   9          HH22      ARG   9   3.542  -3.290  -7.671
   75    H    ILE  10           HN       ILE  10   6.468  -3.830  -0.372
   76    HA   ILE  10           HA       ILE  10   3.853  -4.906  -0.427
   77    HB   ILE  10           HB       ILE  10   5.671  -4.437   1.950
   78   HG12  ILE  10          HG12      ILE  10   5.198  -6.944   0.321
   79   HG13  ILE  10          HG11      ILE  10   6.619  -5.916   0.188
   80   HG21  ILE  10          HG21      ILE  10   3.365  -4.709   2.664
   81   HG22  ILE  10          HG22      ILE  10   4.308  -6.139   3.086
   82   HG23  ILE  10          HG23      ILE  10   3.221  -6.179   1.698
   83   HD11  ILE  10          HD11      ILE  10   7.183  -6.419   2.516
   84   HD12  ILE  10          HD12      ILE  10   7.092  -7.873   1.523
   85   HD13  ILE  10          HD13      ILE  10   5.771  -7.470   2.619
   86    H    LEU  11           HN       LEU  11   5.270  -2.044   1.040
   87    HA   LEU  11           HA       LEU  11   3.033  -1.182   2.500
   88    HB2  LEU  11           HB2      LEU  11   5.431  -0.409   2.710
   89    HB3  LEU  11           HB1      LEU  11   5.178   0.551   1.271
   90    HG   LEU  11           HG       LEU  11   3.486   0.937   3.734
   91   HD11  LEU  11          HD11      LEU  11   5.821   1.188   4.389
   92   HD12  LEU  11          HD12      LEU  11   5.003   2.748   4.358
   93   HD13  LEU  11          HD13      LEU  11   6.088   2.297   3.044
   94   HD21  LEU  11          HD21      LEU  11   3.183   3.180   2.794
   95   HD22  LEU  11          HD22      LEU  11   2.648   1.934   1.667
   96   HD23  LEU  11          HD23      LEU  11   4.195   2.742   1.417
   97    H    SER  12           HN       SER  12   4.133  -0.419  -0.796
   98    HA   SER  12           HA       SER  12   2.076   1.504  -1.225
   99    HB2  SER  12           HB2      SER  12   2.885   1.443  -3.592
  100    HB3  SER  12           HB1      SER  12   4.147   1.759  -2.404
  101    HG   SER  12           HG       SER  12   3.678  -0.535  -3.952
  102    H    ILE  13           HN       ILE  13   2.493  -1.898  -2.137
  103    HA   ILE  13           HA       ILE  13   0.141  -2.030  -3.714
  104    HB   ILE  13           HB       ILE  13   1.632  -4.231  -2.276
  105   HG12  ILE  13          HG12      ILE  13   1.551  -3.496  -5.209
  106   HG13  ILE  13          HG11      ILE  13   2.840  -3.026  -4.106
  107   HG21  ILE  13          HG21      ILE  13   0.382  -5.784  -3.724
  108   HG22  ILE  13          HG22      ILE  13  -0.594  -4.433  -4.304
  109   HG23  ILE  13          HG23      ILE  13  -0.671  -4.913  -2.608
  110   HD11  ILE  13          HD11      ILE  13   2.081  -5.851  -4.809
  111   HD12  ILE  13          HD12      ILE  13   3.397  -5.361  -3.742
  112   HD13  ILE  13          HD13      ILE  13   3.455  -4.956  -5.457
  113    H    LEU  14           HN       LEU  14   0.806  -2.763  -0.308
  114    HA   LEU  14           HA       LEU  14  -1.814  -3.506   0.387
  115    HB2  LEU  14           HB2      LEU  14   0.129  -3.902   1.836
  116    HB3  LEU  14           HB1      LEU  14   0.294  -2.175   2.090
  117    HG   LEU  14           HG       LEU  14  -1.966  -2.176   3.159
  118   HD11  LEU  14          HD11      LEU  14  -2.906  -4.308   3.885
  119   HD12  LEU  14          HD12      LEU  14  -1.660  -5.171   2.983
  120   HD13  LEU  14          HD13      LEU  14  -2.853  -4.195   2.125
  121   HD21  LEU  14          HD21      LEU  14  -1.200  -3.184   5.258
  122   HD22  LEU  14          HD22      LEU  14   0.058  -2.207   4.502
  123   HD23  LEU  14          HD23      LEU  14   0.124  -3.966   4.395
  124    H    ARG  15           HN       ARG  15  -0.226  -0.368   0.144
  125    HA   ARG  15           HA       ARG  15  -2.336   1.152   1.225
  126    HB2  ARG  15           HB2      ARG  15  -0.084   2.087   0.904
  127    HB3  ARG  15           HB1      ARG  15  -0.296   1.992  -0.840
  128    HG2  ARG  15           HG2      ARG  15  -2.204   3.539  -0.667
  129    HG3  ARG  15           HG1      ARG  15  -1.904   3.678   1.065
  130    HD2  ARG  15           HD2      ARG  15   0.319   4.579   0.612
  131    HD3  ARG  15           HD1      ARG  15   0.029   4.424  -1.119
  132    HE   ARG  15           HE       ARG  15  -1.784   6.095   0.475
  133   HH11  ARG  15          HH11      ARG  15   0.713   5.826  -1.973
  134   HH12  ARG  15          HH12      ARG  15   0.495   7.447  -2.552
  135   HH21  ARG  15          HH21      ARG  15  -2.057   8.232  -0.280
  136   HH22  ARG  15          HH22      ARG  15  -1.067   8.819  -1.579
  137    H    HIS  16           HN       HIS  16  -1.635  -0.006  -2.021
  138    HA   HIS  16           HA       HIS  16  -3.752   1.343  -3.322
  139    HB2  HIS  16           HB2      HIS  16  -2.286  -1.204  -4.011
  140    HB3  HIS  16           HB1      HIS  16  -3.547  -0.532  -5.032
  141    HD1  HIS  16           HD1      HIS  16  -1.177  -0.650  -6.582
  142    HD2  HIS  16           HD2      HIS  16  -1.637   2.425  -3.821
  143    HE1  HIS  16           HE1      HIS  16   0.384   1.170  -7.334
  144    HE2  HIS  16           HE2      HIS  16   0.218   2.942  -5.551
  145    H    GLN  17           HN       GLN  17  -3.567  -1.691  -1.577
  146    HA   GLN  17           HA       GLN  17  -6.211  -2.521  -2.259
  147    HB2  GLN  17           HB2      GLN  17  -4.412  -3.411   0.004
  148    HB3  GLN  17           HB1      GLN  17  -5.918  -4.193  -0.455
  149    HG2  GLN  17           HG2      GLN  17  -3.381  -4.012  -2.061
  150    HG3  GLN  17           HG1      GLN  17  -4.154  -5.457  -1.408
  151   HE21  GLN  17          HE21      GLN  17  -3.416  -4.666  -4.174
  152   HE22  GLN  17          HE22      GLN  17  -4.873  -4.823  -5.093
  153    H    ASN  18           HN       ASN  18  -4.805  -0.532   0.243
  154    HA   ASN  18           HA       ASN  18  -7.131  -0.357   1.860
  155    HB2  ASN  18           HB2      ASN  18  -4.997   0.343   2.781
  156    HB3  ASN  18           HB1      ASN  18  -4.824   1.571   1.531
  157   HD21  ASN  18          HD21      ASN  18  -4.656   3.257   3.004
  158   HD22  ASN  18          HD22      ASN  18  -6.007   3.813   3.920
  159    H    LEU  19           HN       LEU  19  -5.891   1.556  -0.838
  160    HA   LEU  19           HA       LEU  19  -7.953   3.497  -0.779
  161    HB2  LEU  19           HB2      LEU  19  -6.186   2.655  -3.076
  162    HB3  LEU  19           HB1      LEU  19  -7.162   4.109  -3.028
  163    HG   LEU  19           HG       LEU  19  -4.808   3.495  -1.237
  164   HD11  LEU  19          HD11      LEU  19  -4.142   4.027  -3.511
  165   HD12  LEU  19          HD12      LEU  19  -3.734   5.350  -2.420
  166   HD13  LEU  19          HD13      LEU  19  -5.137   5.482  -3.479
  167   HD21  LEU  19          HD21      LEU  19  -6.456   4.792  -0.028
  168   HD22  LEU  19          HD22      LEU  19  -6.586   5.928  -1.370
  169   HD23  LEU  19          HD23      LEU  19  -5.084   5.815  -0.454
  170    H    LEU  20           HN       LEU  20  -7.628   0.375  -2.346
  171    HA   LEU  20           HA       LEU  20 -10.133   0.748  -3.788
  172    HB2  LEU  20           HB2      LEU  20  -7.955  -1.295  -3.860
  173    HB3  LEU  20           HB1      LEU  20  -9.547  -1.735  -4.445
  174    HG   LEU  20           HG       LEU  20  -8.122  -1.076  -6.288
  175   HD11  LEU  20          HD11      LEU  20 -10.216   1.017  -5.728
  176   HD12  LEU  20          HD12      LEU  20 -10.503  -0.569  -6.441
  177   HD13  LEU  20          HD13      LEU  20  -9.533   0.621  -7.303
  178   HD21  LEU  20          HD21      LEU  20  -7.293   1.218  -6.505
  179   HD22  LEU  20          HD22      LEU  20  -6.579   0.383  -5.126
  180   HD23  LEU  20          HD23      LEU  20  -7.859   1.569  -4.874
  181    H    LYS  21           HN       LYS  21  -9.588   0.168  -0.721
  182    HA   LYS  21           HA       LYS  21 -10.952  -2.259  -0.196
  183    HB2  LYS  21           HB2      LYS  21  -9.463  -1.207   1.437
  184    HB3  LYS  21           HB1      LYS  21 -10.561   0.158   1.573
  185    HG2  LYS  21           HG2      LYS  21 -12.278  -1.307   2.490
  186    HG3  LYS  21           HG1      LYS  21 -11.185  -2.687   2.344
  187    HD2  LYS  21           HD2      LYS  21  -9.598  -1.536   3.854
  188    HD3  LYS  21           HD1      LYS  21 -10.767  -0.232   4.051
  189    HE2  LYS  21           HE2      LYS  21 -10.849  -1.809   5.922
  190    HE3  LYS  21           HE1      LYS  21 -12.365  -1.790   5.028
  191    HZ1  LYS  21           HZ1      LYS  21 -11.749  -3.821   3.937
  192    HZ2  LYS  21           HZ2      LYS  21 -11.611  -4.038   5.606
  193    HZ3  LYS  21           HZ3      LYS  21 -10.225  -3.813   4.668
  194    H    GLU  22           HN       GLU  22 -12.030   1.137  -0.009
  195    HA   GLU  22           HA       GLU  22 -14.775   0.268   0.314
  196    HB2  GLU  22           HB2      GLU  22 -13.623   3.048   0.082
  197    HB3  GLU  22           HB1      GLU  22 -15.293   2.669   0.469
  198    HG2  GLU  22           HG2      GLU  22 -14.498   1.494   2.501
  199    HG3  GLU  22           HG1      GLU  22 -12.865   2.042   2.131
  200    H    LEU  23           HN       LEU  23 -14.381  -0.837  -1.867
  201    HA   LEU  23           HA       LEU  23 -15.084   0.998  -4.057
  202    HB2  LEU  23           HB2      LEU  23 -13.061  -0.411  -4.376
  203    HB3  LEU  23           HB1      LEU  23 -14.056  -1.842  -4.192
  204    HG   LEU  23           HG       LEU  23 -15.322  -1.168  -6.231
  205   HD11  LEU  23          HD11      LEU  23 -13.176   0.937  -6.450
  206   HD12  LEU  23          HD12      LEU  23 -14.892   1.226  -6.163
  207   HD13  LEU  23          HD13      LEU  23 -14.359   0.537  -7.695
  208   HD21  LEU  23          HD21      LEU  23 -13.542  -1.770  -7.812
  209   HD22  LEU  23          HD22      LEU  23 -13.532  -2.795  -6.377
  210   HD23  LEU  23          HD23      LEU  23 -12.343  -1.504  -6.547
  211    H    GLN  24           HN       GLN  24 -17.220   0.982  -2.913
  212    HA   GLN  24           HA       GLN  24 -18.763  -1.458  -3.437
  213    HB2  GLN  24           HB2      GLN  24 -19.264   0.855  -1.567
  214    HB3  GLN  24           HB1      GLN  24 -20.443  -0.412  -1.873
  215    HG2  GLN  24           HG2      GLN  24 -17.684  -0.825  -0.740
  216    HG3  GLN  24           HG1      GLN  24 -19.184  -0.802   0.187
  217   HE21  GLN  24          HE21      GLN  24 -20.711  -2.223  -1.839
  218   HE22  GLN  24          HE22      GLN  24 -20.184  -3.871  -1.778
  219    H    ASP  25           HN       ASP  25 -20.401  -1.473  -4.849
  220    HA   ASP  25           HA       ASP  25 -20.557   0.587  -6.777
  221    HB2  ASP  25           HB2      ASP  25 -20.999  -1.717  -7.402
  222    HB3  ASP  25           HB1      ASP  25 -22.377  -1.778  -6.305
  Start of MODEL    8
    1    H1   PHE   1           HT1      PHE   1  25.083   1.498   0.255
    2    H2   PHE   1           HT2      PHE   1  25.160   2.242  -1.258
    3    H3   PHE   1           HT3      PHE   1  24.451   0.719  -1.105
    4    HA   PHE   1           HA       PHE   1  23.456   3.233   0.085
    5    HB2  PHE   1           HB2      PHE   1  21.521   2.889  -1.486
    6    HB3  PHE   1           HB1      PHE   1  23.038   3.300  -2.271
    7    HD1  PHE   1           HD1      PHE   1  20.468   0.772  -1.832
    8    HD2  PHE   1           HD2      PHE   1  24.244   1.633  -3.587
    9    HE1  PHE   1           HE1      PHE   1  20.227  -1.182  -3.301
   10    HE2  PHE   1           HE2      PHE   1  24.012  -0.321  -5.058
   11    HZ   PHE   1           HZ       PHE   1  22.000  -1.733  -4.917
   12    H    GLU   2           HN       GLU   2  22.883  -0.245  -0.420
   13    HA   GLU   2           HA       GLU   2  21.678  -1.772   0.748
   14    HB2  GLU   2           HB2      GLU   2  22.548  -0.004   3.038
   15    HB3  GLU   2           HB1      GLU   2  21.925  -1.637   3.213
   16    HG2  GLU   2           HG2      GLU   2  24.457  -0.839   1.794
   17    HG3  GLU   2           HG1      GLU   2  24.337  -1.616   3.371
   18    H    THR   3           HN       THR   3  19.838  -0.489  -0.421
   19    HA   THR   3           HA       THR   3  17.893   0.304   1.635
   20    HB   THR   3           HB       THR   3  16.761   1.569  -0.262
   21    HG1  THR   3           HG1      THR   3  17.896   0.720  -2.016
   22   HG21  THR   3          HG21      THR   3  18.197   3.531   0.010
   23   HG22  THR   3          HG22      THR   3  19.476   2.507   0.662
   24   HG23  THR   3          HG23      THR   3  17.961   2.694   1.544
   25    H    LEU   4           HN       LEU   4  16.978  -1.701   1.931
   26    HA   LEU   4           HA       LEU   4  16.163  -3.319  -0.305
   27    HB2  LEU   4           HB2      LEU   4  16.896  -4.336   1.811
   28    HB3  LEU   4           HB1      LEU   4  15.545  -3.589   2.639
   29    HG   LEU   4           HG       LEU   4  14.007  -4.920   1.175
   30   HD11  LEU   4          HD11      LEU   4  14.928  -6.860   0.008
   31   HD12  LEU   4          HD12      LEU   4  16.560  -6.325   0.406
   32   HD13  LEU   4          HD13      LEU   4  15.549  -5.352  -0.661
   33   HD21  LEU   4          HD21      LEU   4  15.938  -6.490   2.875
   34   HD22  LEU   4          HD22      LEU   4  14.315  -7.000   2.408
   35   HD23  LEU   4          HD23      LEU   4  14.532  -5.600   3.460
   36    H    ARG   5           HN       ARG   5  14.710  -2.144  -1.483
   37    HA   ARG   5           HA       ARG   5  12.390  -1.001  -0.151
   38    HB2  ARG   5           HB2      ARG   5  13.161  -0.944  -3.067
   39    HB3  ARG   5           HB1      ARG   5  11.858  -0.028  -2.327
   40    HG2  ARG   5           HG2      ARG   5  13.472   1.194  -0.967
   41    HG3  ARG   5           HG1      ARG   5  14.788   0.266  -1.691
   42    HD2  ARG   5           HD2      ARG   5  14.618   2.429  -2.759
   43    HD3  ARG   5           HD1      ARG   5  14.173   1.160  -3.899
   44    HE   ARG   5           HE       ARG   5  11.869   2.172  -2.586
   45   HH11  ARG   5          HH11      ARG   5  14.202   2.999  -5.063
   46   HH12  ARG   5          HH12      ARG   5  13.109   4.026  -5.926
   47   HH21  ARG   5          HH21      ARG   5  10.433   3.503  -3.706
   48   HH22  ARG   5          HH22      ARG   5  10.946   4.304  -5.165
   49    H    GLY   6           HN       GLY   6  13.074  -3.984  -0.892
   50    HA2  GLY   6           HA2      GLY   6  10.987  -4.938  -2.513
   51    HA3  GLY   6           HA1      GLY   6  11.825  -5.874  -1.286
   52    H    ASP   7           HN       ASP   7  11.146  -4.547   1.019
   53    HA   ASP   7           HA       ASP   7   8.446  -5.388   1.376
   54    HB2  ASP   7           HB2      ASP   7   8.714  -4.560   3.699
   55    HB3  ASP   7           HB1      ASP   7   9.982  -5.673   3.206
   56    H    GLU   8           HN       GLU   8   9.961  -2.420   0.582
   57    HA   GLU   8           HA       GLU   8   7.926  -0.620   1.326
   58    HB2  GLU   8           HB2      GLU   8  10.146   0.153   0.699
   59    HB3  GLU   8           HB1      GLU   8   9.940  -0.485  -0.925
   60    HG2  GLU   8           HG2      GLU   8   8.092   1.111  -1.271
   61    HG3  GLU   8           HG1      GLU   8   8.414   1.784   0.323
   62    H    ARG   9           HN       ARG   9   8.380  -2.740  -1.413
   63    HA   ARG   9           HA       ARG   9   6.381  -1.709  -3.110
   64    HB2  ARG   9           HB2      ARG   9   7.386  -4.546  -2.804
   65    HB3  ARG   9           HB1      ARG   9   6.361  -3.989  -4.118
   66    HG2  ARG   9           HG2      ARG   9   9.144  -3.002  -3.523
   67    HG3  ARG   9           HG1      ARG   9   8.699  -4.146  -4.788
   68    HD2  ARG   9           HD2      ARG   9   7.792  -1.279  -4.574
   69    HD3  ARG   9           HD1      ARG   9   8.981  -1.914  -5.707
   70    HE   ARG   9           HE       ARG   9   6.663  -3.373  -6.107
   71   HH11  ARG   9          HH11      ARG   9   7.712  -0.043  -6.369
   72   HH12  ARG   9          HH12      ARG   9   6.553   0.360  -7.597
   73   HH21  ARG   9          HH21      ARG   9   5.141  -2.849  -7.732
   74   HH22  ARG   9          HH22      ARG   9   5.094  -1.237  -8.371
   75    H    ILE  10           HN       ILE  10   6.313  -4.059  -0.510
   76    HA   ILE  10           HA       ILE  10   3.600  -4.810  -0.749
   77    HB   ILE  10           HB       ILE  10   5.352  -4.795   1.721
   78   HG12  ILE  10          HG12      ILE  10   4.707  -7.064  -0.173
   79   HG13  ILE  10          HG11      ILE  10   6.216  -6.159  -0.186
   80   HG21  ILE  10          HG21      ILE  10   2.767  -6.253   1.176
   81   HG22  ILE  10          HG22      ILE  10   2.992  -4.915   2.302
   82   HG23  ILE  10          HG23      ILE  10   3.781  -6.464   2.603
   83   HD11  ILE  10          HD11      ILE  10   6.495  -8.262   0.962
   84   HD12  ILE  10          HD12      ILE  10   5.175  -7.865   2.061
   85   HD13  ILE  10          HD13      ILE  10   6.667  -6.928   2.102
   86    H    LEU  11           HN       LEU  11   5.265  -2.222   0.901
   87    HA   LEU  11           HA       LEU  11   3.177  -1.268   2.505
   88    HB2  LEU  11           HB2      LEU  11   5.588  -0.672   2.687
   89    HB3  LEU  11           HB1      LEU  11   5.439   0.283   1.230
   90    HG   LEU  11           HG       LEU  11   3.798   0.900   3.681
   91   HD11  LEU  11          HD11      LEU  11   6.548   1.934   2.991
   92   HD12  LEU  11          HD12      LEU  11   6.151   0.873   4.342
   93   HD13  LEU  11          HD13      LEU  11   5.522   2.520   4.299
   94   HD21  LEU  11          HD21      LEU  11   3.098   1.964   1.601
   95   HD22  LEU  11          HD22      LEU  11   4.736   2.563   1.342
   96   HD23  LEU  11          HD23      LEU  11   3.788   3.152   2.707
   97    H    SER  12           HN       SER  12   4.184  -0.345  -0.793
   98    HA   SER  12           HA       SER  12   2.085   1.583  -1.035
   99    HB2  SER  12           HB2      SER  12   2.836   1.729  -3.403
  100    HB3  SER  12           HB1      SER  12   4.139   1.946  -2.239
  101    HG   SER  12           HG       SER  12   3.653  -0.166  -4.006
  102    H    ILE  13           HN       ILE  13   2.512  -1.776  -1.971
  103    HA   ILE  13           HA       ILE  13   0.193  -1.892  -3.606
  104    HB   ILE  13           HB       ILE  13   1.771  -4.066  -2.240
  105   HG12  ILE  13          HG12      ILE  13   1.501  -3.246  -5.141
  106   HG13  ILE  13          HG11      ILE  13   2.867  -2.861  -4.100
  107   HG21  ILE  13          HG21      ILE  13  -0.566  -4.354  -4.124
  108   HG22  ILE  13          HG22      ILE  13  -0.511  -4.850  -2.433
  109   HG23  ILE  13          HG23      ILE  13   0.501  -5.666  -3.626
  110   HD11  ILE  13          HD11      ILE  13   2.010  -5.621  -4.931
  111   HD12  ILE  13          HD12      ILE  13   3.385  -5.231  -3.899
  112   HD13  ILE  13          HD13      ILE  13   3.372  -4.712  -5.584
  113    H    LEU  14           HN       LEU  14   0.794  -2.608  -0.186
  114    HA   LEU  14           HA       LEU  14  -1.818  -3.381   0.493
  115    HB2  LEU  14           HB2      LEU  14   0.041  -3.653   2.035
  116    HB3  LEU  14           HB1      LEU  14   0.263  -1.916   2.119
  117    HG   LEU  14           HG       LEU  14  -2.009  -1.742   3.155
  118   HD11  LEU  14          HD11      LEU  14  -3.009  -3.759   4.096
  119   HD12  LEU  14          HD12      LEU  14  -1.779  -4.743   3.303
  120   HD13  LEU  14          HD13      LEU  14  -2.942  -3.836   2.336
  121   HD21  LEU  14          HD21      LEU  14   0.003  -1.679   4.515
  122   HD22  LEU  14          HD22      LEU  14   0.019  -3.441   4.597
  123   HD23  LEU  14          HD23      LEU  14  -1.289  -2.536   5.357
  124    H    ARG  15           HN       ARG  15  -0.280  -0.215   0.282
  125    HA   ARG  15           HA       ARG  15  -2.422   1.361   1.133
  126    HB2  ARG  15           HB2      ARG  15  -0.098   2.158   0.767
  127    HB3  ARG  15           HB1      ARG  15  -0.354   2.033  -0.966
  128    HG2  ARG  15           HG2      ARG  15  -2.061   3.744  -0.871
  129    HG3  ARG  15           HG1      ARG  15  -1.905   3.829   0.886
  130    HD2  ARG  15           HD2      ARG  15   0.485   4.457   0.580
  131    HD3  ARG  15           HD1      ARG  15   0.200   4.523  -1.157
  132    HE   ARG  15           HE       ARG  15  -1.685   6.186   0.025
  133   HH11  ARG  15          HH11      ARG  15   1.789   5.988  -0.289
  134   HH12  ARG  15          HH12      ARG  15   2.038   7.698  -0.136
  135   HH21  ARG  15          HH21      ARG  15  -1.372   8.448   0.244
  136   HH22  ARG  15          HH22      ARG  15   0.240   9.096   0.176
  137    H    HIS  16           HN       HIS  16  -1.711  -0.113  -1.967
  138    HA   HIS  16           HA       HIS  16  -3.858   1.167  -3.360
  139    HB2  HIS  16           HB2      HIS  16  -2.200  -1.266  -4.022
  140    HB3  HIS  16           HB1      HIS  16  -3.476  -0.664  -5.070
  141    HD1  HIS  16           HD1      HIS  16  -1.117  -0.571  -6.607
  142    HD2  HIS  16           HD2      HIS  16  -1.772   2.366  -3.743
  143    HE1  HIS  16           HE1      HIS  16   0.367   1.350  -7.261
  144    HE2  HIS  16           HE2      HIS  16   0.086   3.038  -5.409
  145    H    GLN  17           HN       GLN  17  -3.507  -1.778  -1.503
  146    HA   GLN  17           HA       GLN  17  -5.999  -2.916  -2.264
  147    HB2  GLN  17           HB2      GLN  17  -4.339  -3.363   0.224
  148    HB3  GLN  17           HB1      GLN  17  -5.741  -4.320  -0.225
  149    HG2  GLN  17           HG2      GLN  17  -3.063  -4.188  -1.571
  150    HG3  GLN  17           HG1      GLN  17  -3.884  -5.585  -0.878
  151   HE21  GLN  17          HE21      GLN  17  -3.542  -3.549  -3.632
  152   HE22  GLN  17          HE22      GLN  17  -4.547  -4.464  -4.703
  153    H    ASN  18           HN       ASN  18  -4.978  -0.640   0.190
  154    HA   ASN  18           HA       ASN  18  -7.351  -0.472   1.672
  155    HB2  ASN  18           HB2      ASN  18  -5.313   0.620   2.431
  156    HB3  ASN  18           HB1      ASN  18  -5.307   1.666   1.014
  157   HD21  ASN  18          HD21      ASN  18  -5.425   3.592   2.074
  158   HD22  ASN  18          HD22      ASN  18  -6.789   4.085   3.010
  159    H    LEU  19           HN       LEU  19  -6.358   1.107  -1.309
  160    HA   LEU  19           HA       LEU  19  -8.696   2.726  -1.548
  161    HB2  LEU  19           HB2      LEU  19  -6.661   1.913  -3.627
  162    HB3  LEU  19           HB1      LEU  19  -7.867   3.170  -3.827
  163    HG   LEU  19           HG       LEU  19  -5.624   3.233  -1.802
  164   HD11  LEU  19          HD11      LEU  19  -4.780   3.431  -4.077
  165   HD12  LEU  19          HD12      LEU  19  -4.673   4.977  -3.236
  166   HD13  LEU  19          HD13      LEU  19  -5.955   4.700  -4.416
  167   HD21  LEU  19          HD21      LEU  19  -6.295   5.573  -1.507
  168   HD22  LEU  19          HD22      LEU  19  -7.586   4.460  -1.057
  169   HD23  LEU  19          HD23      LEU  19  -7.656   5.314  -2.598
  170    H    LEU  20           HN       LEU  20  -7.833  -0.499  -2.473
  171    HA   LEU  20           HA       LEU  20  -9.952  -0.776  -4.413
  172    HB2  LEU  20           HB2      LEU  20  -7.793  -1.934  -4.677
  173    HB3  LEU  20           HB1      LEU  20  -8.103  -2.836  -3.207
  174    HG   LEU  20           HG       LEU  20 -10.064  -3.889  -4.295
  175   HD11  LEU  20          HD11      LEU  20 -10.335  -3.682  -6.719
  176   HD12  LEU  20          HD12      LEU  20  -9.080  -2.446  -6.753
  177   HD13  LEU  20          HD13      LEU  20 -10.593  -2.143  -5.900
  178   HD21  LEU  20          HD21      LEU  20  -7.447  -4.190  -5.766
  179   HD22  LEU  20          HD22      LEU  20  -8.778  -5.345  -5.795
  180   HD23  LEU  20          HD23      LEU  20  -7.919  -5.029  -4.288
  181    H    LYS  21           HN       LYS  21  -9.319  -1.707  -1.083
  182    HA   LYS  21           HA       LYS  21 -11.525  -3.437  -0.751
  183    HB2  LYS  21           HB2      LYS  21  -9.617  -3.377   0.803
  184    HB3  LYS  21           HB1      LYS  21 -10.087  -1.761   1.314
  185    HG2  LYS  21           HG2      LYS  21 -12.217  -2.669   2.149
  186    HG3  LYS  21           HG1      LYS  21 -11.679  -4.286   1.695
  187    HD2  LYS  21           HD2      LYS  21  -9.744  -4.031   3.203
  188    HD3  LYS  21           HD1      LYS  21 -10.364  -2.455   3.696
  189    HE2  LYS  21           HE2      LYS  21 -10.986  -4.126   5.336
  190    HE3  LYS  21           HE1      LYS  21 -12.426  -3.546   4.502
  191    HZ1  LYS  21           HZ1      LYS  21 -12.381  -5.522   3.120
  192    HZ2  LYS  21           HZ2      LYS  21 -12.441  -5.951   4.753
  193    HZ3  LYS  21           HZ3      LYS  21 -10.986  -6.073   3.901
  194    H    GLU  22           HN       GLU  22 -13.619  -3.057  -0.349
  195    HA   GLU  22           HA       GLU  22 -14.525  -0.298  -0.494
  196    HB2  GLU  22           HB2      GLU  22 -16.149  -2.847  -0.455
  197    HB3  GLU  22           HB1      GLU  22 -16.731  -1.238  -0.869
  198    HG2  GLU  22           HG2      GLU  22 -15.244  -1.211  -2.815
  199    HG3  GLU  22           HG1      GLU  22 -14.696  -2.836  -2.406
  200    H    LEU  23           HN       LEU  23 -13.650   0.149   1.663
  201    HA   LEU  23           HA       LEU  23 -14.899  -1.054   3.952
  202    HB2  LEU  23           HB2      LEU  23 -12.596  -0.109   3.979
  203    HB3  LEU  23           HB1      LEU  23 -13.279   1.490   3.769
  204    HG   LEU  23           HG       LEU  23 -14.464   1.223   5.944
  205   HD11  LEU  23          HD11      LEU  23 -13.725  -0.565   7.453
  206   HD12  LEU  23          HD12      LEU  23 -12.805  -1.287   6.134
  207   HD13  LEU  23          HD13      LEU  23 -14.564  -1.200   6.038
  208   HD21  LEU  23          HD21      LEU  23 -11.467   0.909   6.025
  209   HD22  LEU  23          HD22      LEU  23 -12.473   1.542   7.327
  210   HD23  LEU  23          HD23      LEU  23 -12.347   2.420   5.802
  211    H    GLN  24           HN       GLN  24 -17.102  -0.759   3.513
  212    HA   GLN  24           HA       GLN  24 -18.062   2.022   3.649
  213    HB2  GLN  24           HB2      GLN  24 -19.448  -0.376   2.431
  214    HB3  GLN  24           HB1      GLN  24 -20.030   1.283   2.409
  215    HG2  GLN  24           HG2      GLN  24 -18.200   1.957   0.996
  216    HG3  GLN  24           HG1      GLN  24 -17.482   0.352   1.105
  217   HE21  GLN  24          HE21      GLN  24 -19.986   2.283  -0.300
  218   HE22  GLN  24          HE22      GLN  24 -20.499   1.123  -1.474
  219    H    ASP  25           HN       ASP  25 -19.229   2.558   5.402
  220    HA   ASP  25           HA       ASP  25 -20.158   0.382   7.145
  221    HB2  ASP  25           HB2      ASP  25 -18.570   1.913   8.205
  222    HB3  ASP  25           HB1      ASP  25 -19.600   3.282   7.801
  Start of MODEL    9
    1    H1   PHE   1           HT1      PHE   1  24.828   3.921  -1.180
    2    H2   PHE   1           HT2      PHE   1  24.262   2.995  -2.475
    3    H3   PHE   1           HT3      PHE   1  24.560   2.262  -0.981
    4    HA   PHE   1           HA       PHE   1  22.811   3.586   0.035
    5    HB2  PHE   1           HB2      PHE   1  22.933   5.478  -1.551
    6    HB3  PHE   1           HB1      PHE   1  22.278   4.450  -2.820
    7    HD1  PHE   1           HD1      PHE   1  21.438   5.583   0.634
    8    HD2  PHE   1           HD2      PHE   1  20.035   4.560  -3.251
    9    HE1  PHE   1           HE1      PHE   1  19.156   6.218   1.295
   10    HE2  PHE   1           HE2      PHE   1  17.750   5.192  -2.595
   11    HZ   PHE   1           HZ       PHE   1  17.307   6.023  -0.320
   12    H    GLU   2           HN       GLU   2  22.271   2.374  -3.287
   13    HA   GLU   2           HA       GLU   2  21.160   0.578  -4.097
   14    HB2  GLU   2           HB2      GLU   2  22.360  -0.811  -2.498
   15    HB3  GLU   2           HB1      GLU   2  21.224  -0.385  -1.228
   16    HG2  GLU   2           HG2      GLU   2  20.765  -2.603  -2.040
   17    HG3  GLU   2           HG1      GLU   2  19.435  -1.528  -2.463
   18    H    THR   3           HN       THR   3  19.137   0.583  -4.784
   19    HA   THR   3           HA       THR   3  17.118   1.928  -3.199
   20    HB   THR   3           HB       THR   3  15.709   1.495  -5.300
   21    HG1  THR   3           HG1      THR   3  17.988   1.320  -6.826
   22   HG21  THR   3          HG21      THR   3  16.740   3.374  -6.481
   23   HG22  THR   3          HG22      THR   3  18.196   3.194  -5.503
   24   HG23  THR   3          HG23      THR   3  16.677   3.670  -4.745
   25    H    LEU   4           HN       LEU   4  17.007   0.280  -1.564
   26    HA   LEU   4           HA       LEU   4  15.950  -2.310  -2.334
   27    HB2  LEU   4           HB2      LEU   4  17.660  -2.113  -0.560
   28    HB3  LEU   4           HB1      LEU   4  16.527  -1.185   0.403
   29    HG   LEU   4           HG       LEU   4  15.030  -3.155   0.489
   30   HD11  LEU   4          HD11      LEU   4  17.315  -4.549  -0.901
   31   HD12  LEU   4          HD12      LEU   4  15.709  -4.253  -1.567
   32   HD13  LEU   4          HD13      LEU   4  15.906  -5.340  -0.194
   33   HD21  LEU   4          HD21      LEU   4  16.593  -2.728   2.298
   34   HD22  LEU   4          HD22      LEU   4  17.848  -3.627   1.448
   35   HD23  LEU   4          HD23      LEU   4  16.411  -4.462   2.034
   36    H    ARG   5           HN       ARG   5  13.958  -1.837  -3.145
   37    HA   ARG   5           HA       ARG   5  12.049  -0.473  -1.375
   38    HB2  ARG   5           HB2      ARG   5  11.922  -0.950  -4.348
   39    HB3  ARG   5           HB1      ARG   5  10.719  -0.089  -3.403
   40    HG2  ARG   5           HG2      ARG   5  12.357   1.621  -2.850
   41    HG3  ARG   5           HG1      ARG   5  13.584   0.752  -3.777
   42    HD2  ARG   5           HD2      ARG   5  12.623   2.589  -5.071
   43    HD3  ARG   5           HD1      ARG   5  12.261   1.024  -5.802
   44    HE   ARG   5           HE       ARG   5  10.258   2.234  -4.030
   45   HH11  ARG   5          HH11      ARG   5  11.273   1.410  -7.291
   46   HH12  ARG   5          HH12      ARG   5   9.674   1.552  -7.951
   47   HH21  ARG   5          HH21      ARG   5   8.184   2.433  -4.896
   48   HH22  ARG   5          HH22      ARG   5   7.913   2.150  -6.591
   49    H    GLY   6           HN       GLY   6  12.901  -3.433  -1.572
   50    HA2  GLY   6           HA2      GLY   6  10.806  -4.967  -2.613
   51    HA3  GLY   6           HA1      GLY   6  11.894  -5.485  -1.336
   52    H    ASP   7           HN       ASP   7  11.301  -3.847   0.724
   53    HA   ASP   7           HA       ASP   7   8.769  -4.868   1.577
   54    HB2  ASP   7           HB2      ASP   7   9.236  -3.858   3.707
   55    HB3  ASP   7           HB1      ASP   7  10.714  -4.602   3.115
   56    H    GLU   8           HN       GLU   8   9.957  -1.856   0.343
   57    HA   GLU   8           HA       GLU   8   7.820  -0.185   1.088
   58    HB2  GLU   8           HB2      GLU   8   9.983   0.644   0.244
   59    HB3  GLU   8           HB1      GLU   8   9.611  -0.013  -1.341
   60    HG2  GLU   8           HG2      GLU   8   7.588   1.484  -1.350
   61    HG3  GLU   8           HG1      GLU   8   8.263   2.255   0.084
   62    H    ARG   9           HN       ARG   9   8.286  -2.421  -1.575
   63    HA   ARG   9           HA       ARG   9   6.071  -1.585  -3.124
   64    HB2  ARG   9           HB2      ARG   9   7.544  -4.211  -2.982
   65    HB3  ARG   9           HB1      ARG   9   6.224  -3.919  -4.107
   66    HG2  ARG   9           HG2      ARG   9   8.793  -2.353  -3.984
   67    HG3  ARG   9           HG1      ARG   9   8.411  -3.616  -5.153
   68    HD2  ARG   9           HD2      ARG   9   6.938  -1.004  -4.806
   69    HD3  ARG   9           HD1      ARG   9   8.055  -1.404  -6.110
   70    HE   ARG   9           HE       ARG   9   6.304  -3.330  -6.449
   71   HH11  ARG   9          HH11      ARG   9   5.684   0.021  -5.669
   72   HH12  ARG   9          HH12      ARG   9   4.154   0.070  -6.477
   73   HH21  ARG   9          HH21      ARG   9   4.283  -3.279  -7.519
   74   HH22  ARG   9          HH22      ARG   9   3.353  -1.816  -7.526
   75    H    ILE  10           HN       ILE  10   6.435  -3.917  -0.522
   76    HA   ILE  10           HA       ILE  10   3.810  -4.948  -0.623
   77    HB   ILE  10           HB       ILE  10   5.731  -4.731   1.702
   78   HG12  ILE  10          HG12      ILE  10   4.982  -7.047  -0.100
   79   HG13  ILE  10          HG11      ILE  10   6.503  -6.163  -0.138
   80   HG21  ILE  10          HG21      ILE  10   3.142  -6.264   1.518
   81   HG22  ILE  10          HG22      ILE  10   3.464  -4.873   2.554
   82   HG23  ILE  10          HG23      ILE  10   4.315  -6.392   2.829
   83   HD11  ILE  10          HD11      ILE  10   5.488  -7.871   2.120
   84   HD12  ILE  10          HD12      ILE  10   6.992  -6.951   2.134
   85   HD13  ILE  10          HD13      ILE  10   6.780  -8.275   0.989
   86    H    LEU  11           HN       LEU  11   5.256  -2.218   1.077
   87    HA   LEU  11           HA       LEU  11   2.992  -1.405   2.531
   88    HB2  LEU  11           HB2      LEU  11   5.391  -0.654   2.832
   89    HB3  LEU  11           HB1      LEU  11   5.176   0.370   1.432
   90    HG   LEU  11           HG       LEU  11   3.443   0.649   3.881
   91   HD11  LEU  11          HD11      LEU  11   6.062   2.015   3.278
   92   HD12  LEU  11          HD12      LEU  11   5.734   0.903   4.608
   93   HD13  LEU  11          HD13      LEU  11   4.941   2.478   4.560
   94   HD21  LEU  11          HD21      LEU  11   4.153   2.544   1.640
   95   HD22  LEU  11          HD22      LEU  11   3.142   2.929   3.033
   96   HD23  LEU  11          HD23      LEU  11   2.606   1.724   1.861
   97    H    SER  12           HN       SER  12   4.213  -0.364  -0.653
   98    HA   SER  12           HA       SER  12   2.155   1.541  -1.050
   99    HB2  SER  12           HB2      SER  12   3.011   1.466  -3.458
  100    HB3  SER  12           HB1      SER  12   4.159   1.941  -2.209
  101    HG   SER  12           HG       SER  12   5.144   0.001  -2.343
  102    H    ILE  13           HN       ILE  13   2.537  -1.827  -2.042
  103    HA   ILE  13           HA       ILE  13   0.184  -1.879  -3.638
  104    HB   ILE  13           HB       ILE  13   1.738  -4.110  -2.326
  105   HG12  ILE  13          HG12      ILE  13   1.506  -3.251  -5.218
  106   HG13  ILE  13          HG11      ILE  13   2.850  -2.848  -4.157
  107   HG21  ILE  13          HG21      ILE  13   0.452  -5.657  -3.737
  108   HG22  ILE  13          HG22      ILE  13  -0.572  -4.318  -4.256
  109   HG23  ILE  13          HG23      ILE  13  -0.572  -4.825  -2.568
  110   HD11  ILE  13          HD11      ILE  13   3.390  -4.697  -5.641
  111   HD12  ILE  13          HD12      ILE  13   2.042  -5.624  -4.981
  112   HD13  ILE  13          HD13      ILE  13   3.410  -5.201  -3.952
  113    H    LEU  14           HN       LEU  14   0.862  -2.533  -0.242
  114    HA   LEU  14           HA       LEU  14  -1.717  -3.371   0.498
  115    HB2  LEU  14           HB2      LEU  14   0.273  -3.547   1.956
  116    HB3  LEU  14           HB1      LEU  14   0.287  -1.804   2.127
  117    HG   LEU  14           HG       LEU  14  -1.961  -1.948   3.204
  118   HD11  LEU  14          HD11      LEU  14  -2.693  -4.066   2.269
  119   HD12  LEU  14          HD12      LEU  14  -2.700  -4.136   4.031
  120   HD13  LEU  14          HD13      LEU  14  -1.401  -4.910   3.124
  121   HD21  LEU  14          HD21      LEU  14   0.266  -3.510   4.504
  122   HD22  LEU  14          HD22      LEU  14  -1.116  -2.804   5.339
  123   HD23  LEU  14          HD23      LEU  14   0.059  -1.759   4.541
  124    H    ARG  15           HN       ARG  15  -0.246  -0.175   0.197
  125    HA   ARG  15           HA       ARG  15  -2.429   1.352   1.057
  126    HB2  ARG  15           HB2      ARG  15  -0.182   2.286   0.701
  127    HB3  ARG  15           HB1      ARG  15  -0.355   2.044  -1.031
  128    HG2  ARG  15           HG2      ARG  15  -2.160   3.647  -1.114
  129    HG3  ARG  15           HG1      ARG  15  -2.100   3.844   0.638
  130    HD2  ARG  15           HD2      ARG  15   0.243   4.638   0.409
  131    HD3  ARG  15           HD1      ARG  15   0.058   4.559  -1.341
  132    HE   ARG  15           HE       ARG  15  -2.021   6.135  -0.416
  133   HH11  ARG  15          HH11      ARG  15   1.475   6.236  -0.365
  134   HH12  ARG  15          HH12      ARG  15   1.553   7.968  -0.348
  135   HH21  ARG  15          HH21      ARG  15  -1.923   8.417  -0.386
  136   HH22  ARG  15          HH22      ARG  15  -0.379   9.209  -0.353
  137    H    HIS  16           HN       HIS  16  -1.677  -0.107  -2.044
  138    HA   HIS  16           HA       HIS  16  -3.800   1.106  -3.493
  139    HB2  HIS  16           HB2      HIS  16  -2.267  -1.448  -4.007
  140    HB3  HIS  16           HB1      HIS  16  -3.462  -0.790  -5.115
  141    HD1  HIS  16           HD1      HIS  16  -0.794  -1.083  -6.313
  142    HD2  HIS  16           HD2      HIS  16  -1.807   2.287  -4.096
  143    HE1  HIS  16           HE1      HIS  16   0.776   0.727  -7.077
  144    HE2  HIS  16           HE2      HIS  16   0.025   2.796  -5.850
  145    H    GLN  17           HN       GLN  17  -3.596  -1.625  -1.366
  146    HA   GLN  17           HA       GLN  17  -6.165  -2.691  -2.077
  147    HB2  GLN  17           HB2      GLN  17  -4.429  -3.200   0.348
  148    HB3  GLN  17           HB1      GLN  17  -5.897  -4.085  -0.037
  149    HG2  GLN  17           HG2      GLN  17  -3.347  -4.034  -1.638
  150    HG3  GLN  17           HG1      GLN  17  -3.995  -5.380  -0.702
  151   HE21  GLN  17          HE21      GLN  17  -3.330  -5.128  -3.559
  152   HE22  GLN  17          HE22      GLN  17  -4.773  -5.551  -4.415
  153    H    ASN  18           HN       ASN  18  -4.899  -0.432   0.291
  154    HA   ASN  18           HA       ASN  18  -7.296  -0.173   1.780
  155    HB2  ASN  18           HB2      ASN  18  -5.205   0.577   2.757
  156    HB3  ASN  18           HB1      ASN  18  -4.968   1.735   1.456
  157   HD21  ASN  18          HD21      ASN  18  -5.906   3.723   1.601
  158   HD22  ASN  18          HD22      ASN  18  -6.891   4.226   2.925
  159    H    LEU  19           HN       LEU  19  -6.038   1.401  -1.083
  160    HA   LEU  19           HA       LEU  19  -8.158   3.302  -1.292
  161    HB2  LEU  19           HB2      LEU  19  -6.130   2.315  -3.285
  162    HB3  LEU  19           HB1      LEU  19  -7.307   3.560  -3.652
  163    HG   LEU  19           HG       LEU  19  -5.196   3.759  -1.501
  164   HD11  LEU  19          HD11      LEU  19  -5.341   5.031  -4.230
  165   HD12  LEU  19          HD12      LEU  19  -4.202   3.786  -3.718
  166   HD13  LEU  19          HD13      LEU  19  -4.139   5.390  -2.991
  167   HD21  LEU  19          HD21      LEU  19  -7.161   5.056  -0.946
  168   HD22  LEU  19          HD22      LEU  19  -7.185   5.763  -2.561
  169   HD23  LEU  19          HD23      LEU  19  -5.864   6.137  -1.455
  170    H    LEU  20           HN       LEU  20  -7.814  -0.016  -2.092
  171    HA   LEU  20           HA       LEU  20  -9.827  -0.125  -4.111
  172    HB2  LEU  20           HB2      LEU  20  -8.044  -1.824  -3.869
  173    HB3  LEU  20           HB1      LEU  20  -8.741  -2.320  -2.340
  174    HG   LEU  20           HG       LEU  20 -10.788  -3.042  -3.519
  175   HD11  LEU  20          HD11      LEU  20  -9.238  -2.322  -6.003
  176   HD12  LEU  20          HD12      LEU  20 -10.710  -1.545  -5.424
  177   HD13  LEU  20          HD13      LEU  20 -10.754  -3.220  -5.968
  178   HD21  LEU  20          HD21      LEU  20  -8.238  -4.231  -4.599
  179   HD22  LEU  20          HD22      LEU  20  -9.818  -5.013  -4.579
  180   HD23  LEU  20          HD23      LEU  20  -9.000  -4.637  -3.063
  181    H    LYS  21           HN       LYS  21  -9.799  -0.095  -0.660
  182    HA   LYS  21           HA       LYS  21 -12.633  -0.812  -0.532
  183    HB2  LYS  21           HB2      LYS  21 -10.452  -0.561   1.499
  184    HB3  LYS  21           HB1      LYS  21 -12.119  -0.368   2.015
  185    HG2  LYS  21           HG2      LYS  21 -11.444  -2.627   2.393
  186    HG3  LYS  21           HG1      LYS  21 -12.624  -2.602   1.085
  187    HD2  LYS  21           HD2      LYS  21 -10.847  -2.811  -0.556
  188    HD3  LYS  21           HD1      LYS  21  -9.631  -2.748   0.724
  189    HE2  LYS  21           HE2      LYS  21 -10.550  -4.807   1.686
  190    HE3  LYS  21           HE1      LYS  21 -11.745  -4.876   0.392
  191    HZ1  LYS  21           HZ1      LYS  21  -8.808  -4.958  -0.016
  192    HZ2  LYS  21           HZ2      LYS  21  -9.998  -5.148  -1.207
  193    HZ3  LYS  21           HZ3      LYS  21  -9.818  -6.314   0.001
  194    H    GLU  22           HN       GLU  22 -13.803   0.594   1.232
  195    HA   GLU  22           HA       GLU  22 -14.819   2.555   1.723
  196    HB2  GLU  22           HB2      GLU  22 -12.491   2.924   2.689
  197    HB3  GLU  22           HB1      GLU  22 -12.147   3.873   1.253
  198    HG2  GLU  22           HG2      GLU  22 -13.927   5.422   1.826
  199    HG3  GLU  22           HG1      GLU  22 -14.327   4.454   3.243
  200    H    LEU  23           HN       LEU  23 -14.917   1.652  -0.938
  201    HA   LEU  23           HA       LEU  23 -14.864   4.119  -2.523
  202    HB2  LEU  23           HB2      LEU  23 -15.216   1.235  -3.334
  203    HB3  LEU  23           HB1      LEU  23 -15.352   2.583  -4.444
  204    HG   LEU  23           HG       LEU  23 -12.867   1.790  -2.922
  205   HD11  LEU  23          HD11      LEU  23 -13.443   0.262  -4.743
  206   HD12  LEU  23          HD12      LEU  23 -11.994   1.197  -5.113
  207   HD13  LEU  23          HD13      LEU  23 -13.534   1.627  -5.856
  208   HD21  LEU  23          HD21      LEU  23 -11.763   3.499  -4.317
  209   HD22  LEU  23          HD22      LEU  23 -12.944   4.191  -3.207
  210   HD23  LEU  23          HD23      LEU  23 -13.343   4.003  -4.915
  211    H    GLN  24           HN       GLN  24 -16.847   2.894  -0.427
  212    HA   GLN  24           HA       GLN  24 -19.022   3.287   0.073
  213    HB2  GLN  24           HB2      GLN  24 -19.129   4.641  -2.624
  214    HB3  GLN  24           HB1      GLN  24 -20.408   4.692  -1.418
  215    HG2  GLN  24           HG2      GLN  24 -18.980   5.869   0.117
  216    HG3  GLN  24           HG1      GLN  24 -17.610   5.707  -0.977
  217   HE21  GLN  24          HE21      GLN  24 -19.242   6.250  -3.345
  218   HE22  GLN  24          HE22      GLN  24 -19.544   7.952  -3.322
  219    H    ASP  25           HN       ASP  25 -21.305   2.755  -0.735
  220    HA   ASP  25           HA       ASP  25 -21.106   0.187  -2.152
  221    HB2  ASP  25           HB2      ASP  25 -23.095   1.161  -0.091
  222    HB3  ASP  25           HB1      ASP  25 -23.302  -0.326  -1.007
  Start of MODEL   10
    1    H1   PHE   1           HT1      PHE   1  17.956  10.004  -0.370
    2    H2   PHE   1           HT2      PHE   1  19.624   9.990  -0.633
    3    H3   PHE   1           HT3      PHE   1  18.958   9.074   0.620
    4    HA   PHE   1           HA       PHE   1  18.435   8.649  -2.256
    5    HB2  PHE   1           HB2      PHE   1  19.831   6.651  -2.057
    6    HB3  PHE   1           HB1      PHE   1  20.764   8.072  -1.612
    7    HD1  PHE   1           HD1      PHE   1  19.647   4.840  -0.623
    8    HD2  PHE   1           HD2      PHE   1  21.054   8.566   0.867
    9    HE1  PHE   1           HE1      PHE   1  20.251   3.763   1.500
   10    HE2  PHE   1           HE2      PHE   1  21.653   7.495   2.993
   11    HZ   PHE   1           HZ       PHE   1  21.253   5.087   3.314
   12    H    GLU   2           HN       GLU   2  17.178   6.761  -2.685
   13    HA   GLU   2           HA       GLU   2  15.349   6.165  -0.490
   14    HB2  GLU   2           HB2      GLU   2  13.909   5.185  -2.314
   15    HB3  GLU   2           HB1      GLU   2  14.211   6.910  -2.459
   16    HG2  GLU   2           HG2      GLU   2  15.936   6.458  -4.134
   17    HG3  GLU   2           HG1      GLU   2  15.598   4.732  -4.002
   18    H    THR   3           HN       THR   3  15.451   4.308   0.567
   19    HA   THR   3           HA       THR   3  17.416   2.360  -0.164
   20    HB   THR   3           HB       THR   3  16.498   1.149   1.874
   21    HG1  THR   3           HG1      THR   3  14.421   2.362   1.718
   22   HG21  THR   3          HG21      THR   3  17.508   3.974   2.142
   23   HG22  THR   3          HG22      THR   3  18.478   2.508   2.018
   24   HG23  THR   3          HG23      THR   3  17.484   2.788   3.445
   25    H    LEU   4           HN       LEU   4  16.870   1.244  -1.981
   26    HA   LEU   4           HA       LEU   4  14.252   0.157  -2.384
   27    HB2  LEU   4           HB2      LEU   4  15.618   0.727  -4.302
   28    HB3  LEU   4           HB1      LEU   4  16.864  -0.392  -3.787
   29    HG   LEU   4           HG       LEU   4  15.266  -2.266  -4.128
   30   HD11  LEU   4          HD11      LEU   4  13.512  -0.120  -5.305
   31   HD12  LEU   4          HD12      LEU   4  13.188  -1.040  -3.836
   32   HD13  LEU   4          HD13      LEU   4  13.221  -1.856  -5.400
   33   HD21  LEU   4          HD21      LEU   4  16.874  -1.658  -5.859
   34   HD22  LEU   4          HD22      LEU   4  15.720  -0.506  -6.532
   35   HD23  LEU   4          HD23      LEU   4  15.364  -2.233  -6.566
   36    H    ARG   5           HN       ARG   5  13.902  -0.972  -0.515
   37    HA   ARG   5           HA       ARG   5  15.536  -3.350  -0.006
   38    HB2  ARG   5           HB2      ARG   5  13.465  -1.898   1.627
   39    HB3  ARG   5           HB1      ARG   5  14.108  -3.465   2.087
   40    HG2  ARG   5           HG2      ARG   5  16.288  -2.586   2.374
   41    HG3  ARG   5           HG1      ARG   5  15.837  -1.055   1.621
   42    HD2  ARG   5           HD2      ARG   5  15.986  -1.135   4.175
   43    HD3  ARG   5           HD1      ARG   5  14.558  -0.391   3.457
   44    HE   ARG   5           HE       ARG   5  13.604  -2.806   3.819
   45   HH11  ARG   5          HH11      ARG   5  15.729  -1.028   5.968
   46   HH12  ARG   5          HH12      ARG   5  15.080  -1.749   7.405
   47   HH21  ARG   5          HH21      ARG   5  12.750  -3.739   5.692
   48   HH22  ARG   5          HH22      ARG   5  13.387  -3.308   7.246
   49    H    GLY   6           HN       GLY   6  12.544  -2.373  -1.338
   50    HA2  GLY   6           HA2      GLY   6  11.131  -3.856  -2.551
   51    HA3  GLY   6           HA1      GLY   6  11.715  -5.180  -1.553
   52    H    ASP   7           HN       ASP   7  11.394  -3.470   0.870
   53    HA   ASP   7           HA       ASP   7   8.903  -4.398   1.701
   54    HB2  ASP   7           HB2      ASP   7  10.524  -2.132   2.872
   55    HB3  ASP   7           HB1      ASP   7   9.179  -2.936   3.667
   56    H    GLU   8           HN       GLU   8   9.848  -1.366   0.249
   57    HA   GLU   8           HA       GLU   8   7.536   0.107   0.889
   58    HB2  GLU   8           HB2      GLU   8   9.620   1.162   0.150
   59    HB3  GLU   8           HB1      GLU   8   9.435   0.434  -1.437
   60    HG2  GLU   8           HG2      GLU   8   7.484   1.747  -1.874
   61    HG3  GLU   8           HG1      GLU   8   7.490   2.379  -0.229
   62    H    ARG   9           HN       ARG   9   8.224  -2.252  -1.581
   63    HA   ARG   9           HA       ARG   9   5.975  -1.724  -3.226
   64    HB2  ARG   9           HB2      ARG   9   7.665  -4.174  -2.794
   65    HB3  ARG   9           HB1      ARG   9   6.270  -4.193  -3.861
   66    HG2  ARG   9           HG2      ARG   9   8.591  -2.307  -4.145
   67    HG3  ARG   9           HG1      ARG   9   8.423  -3.826  -5.023
   68    HD2  ARG   9           HD2      ARG   9   6.551  -1.464  -5.145
   69    HD3  ARG   9           HD1      ARG   9   7.689  -1.961  -6.395
   70    HE   ARG   9           HE       ARG   9   6.168  -4.164  -6.081
   71   HH11  ARG   9          HH11      ARG   9   5.371  -0.792  -6.564
   72   HH12  ARG   9          HH12      ARG   9   3.899  -1.131  -7.421
   73   HH21  ARG   9          HH21      ARG   9   4.227  -4.618  -7.215
   74   HH22  ARG   9          HH22      ARG   9   3.251  -3.302  -7.786
   75    H    ILE  10           HN       ILE  10   6.491  -3.758  -0.406
   76    HA   ILE  10           HA       ILE  10   3.919  -4.923  -0.345
   77    HB   ILE  10           HB       ILE  10   5.823  -4.365   1.941
   78   HG12  ILE  10          HG12      ILE  10   5.287  -6.919   0.404
   79   HG13  ILE  10          HG11      ILE  10   6.693  -5.886   0.179
   80   HG21  ILE  10          HG21      ILE  10   3.374  -6.129   1.870
   81   HG22  ILE  10          HG22      ILE  10   3.560  -4.632   2.784
   82   HG23  ILE  10          HG23      ILE  10   4.535  -6.044   3.195
   83   HD11  ILE  10          HD11      ILE  10   5.972  -7.378   2.689
   84   HD12  ILE  10          HD12      ILE  10   7.370  -6.323   2.490
   85   HD13  ILE  10          HD13      ILE  10   7.241  -7.805   1.543
   86    H    LEU  11           HN       LEU  11   5.283  -2.009   1.076
   87    HA   LEU  11           HA       LEU  11   3.014  -1.137   2.481
   88    HB2  LEU  11           HB2      LEU  11   5.403  -0.276   2.638
   89    HB3  LEU  11           HB1      LEU  11   5.085   0.636   1.181
   90    HG   LEU  11           HG       LEU  11   3.462   0.998   3.700
   91   HD11  LEU  11          HD11      LEU  11   5.908   2.513   2.798
   92   HD12  LEU  11          HD12      LEU  11   5.800   1.454   4.203
   93   HD13  LEU  11          HD13      LEU  11   4.868   2.951   4.153
   94   HD21  LEU  11          HD21      LEU  11   2.422   1.844   1.661
   95   HD22  LEU  11          HD22      LEU  11   3.889   2.743   1.272
   96   HD23  LEU  11          HD23      LEU  11   2.940   3.176   2.695
   97    H    SER  12           HN       SER  12   4.150  -0.360  -0.809
   98    HA   SER  12           HA       SER  12   2.046   1.466  -1.305
   99    HB2  SER  12           HB2      SER  12   2.830   1.266  -3.704
  100    HB3  SER  12           HB1      SER  12   4.044   1.773  -2.531
  101    HG   SER  12           HG       SER  12   5.025  -0.143  -2.669
  102    H    ILE  13           HN       ILE  13   2.477  -1.964  -2.099
  103    HA   ILE  13           HA       ILE  13   0.142  -2.140  -3.684
  104    HB   ILE  13           HB       ILE  13   1.632  -4.284  -2.170
  105   HG12  ILE  13          HG12      ILE  13   1.476  -3.617  -5.119
  106   HG13  ILE  13          HG11      ILE  13   2.831  -3.237  -4.062
  107   HG21  ILE  13          HG21      ILE  13  -0.665  -4.571  -4.104
  108   HG22  ILE  13          HG22      ILE  13  -0.671  -4.992  -2.392
  109   HG23  ILE  13          HG23      ILE  13   0.335  -5.901  -3.519
  110   HD11  ILE  13          HD11      ILE  13   3.289  -5.192  -5.421
  111   HD12  ILE  13          HD12      ILE  13   1.863  -5.996  -4.767
  112   HD13  ILE  13          HD13      ILE  13   3.224  -5.618  -3.712
  113    H    LEU  14           HN       LEU  14   0.743  -2.805  -0.246
  114    HA   LEU  14           HA       LEU  14  -1.914  -3.511   0.379
  115    HB2  LEU  14           HB2      LEU  14   0.027  -3.977   1.840
  116    HB3  LEU  14           HB1      LEU  14   0.178  -2.263   2.167
  117    HG   LEU  14           HG       LEU  14  -2.005  -2.269   3.282
  118   HD11  LEU  14          HD11      LEU  14  -3.084  -4.046   2.020
  119   HD12  LEU  14          HD12      LEU  14  -3.143  -4.383   3.749
  120   HD13  LEU  14          HD13      LEU  14  -1.985  -5.231   2.725
  121   HD21  LEU  14          HD21      LEU  14  -0.004  -2.672   4.603
  122   HD22  LEU  14          HD22      LEU  14  -0.122  -4.402   4.283
  123   HD23  LEU  14          HD23      LEU  14  -1.364  -3.595   5.239
  124    H    ARG  15           HN       ARG  15  -0.203  -0.438   0.265
  125    HA   ARG  15           HA       ARG  15  -2.248   1.199   1.261
  126    HB2  ARG  15           HB2      ARG  15   0.099   1.918   0.907
  127    HB3  ARG  15           HB1      ARG  15  -0.180   1.891  -0.828
  128    HG2  ARG  15           HG2      ARG  15  -1.874   3.627  -0.589
  129    HG3  ARG  15           HG1      ARG  15  -1.597   3.655   1.154
  130    HD2  ARG  15           HD2      ARG  15   0.795   4.214   0.676
  131    HD3  ARG  15           HD1      ARG  15   0.350   4.385  -1.021
  132    HE   ARG  15           HE       ARG  15  -1.240   5.989   0.774
  133   HH11  ARG  15          HH11      ARG  15   1.661   5.827  -1.177
  134   HH12  ARG  15          HH12      ARG  15   1.864   7.549  -1.246
  135   HH21  ARG  15          HH21      ARG  15  -0.971   8.252   0.705
  136   HH22  ARG  15          HH22      ARG  15   0.368   8.932  -0.168
  137    H    HIS  16           HN       HIS  16  -1.590  -0.044  -1.961
  138    HA   HIS  16           HA       HIS  16  -3.648   1.405  -3.281
  139    HB2  HIS  16           HB2      HIS  16  -2.213  -1.151  -3.999
  140    HB3  HIS  16           HB1      HIS  16  -3.448  -0.437  -5.023
  141    HD1  HIS  16           HD1      HIS  16  -1.044  -0.612  -6.515
  142    HD2  HIS  16           HD2      HIS  16  -1.534   2.487  -3.785
  143    HE1  HIS  16           HE1      HIS  16   0.577   1.177  -7.225
  144    HE2  HIS  16           HE2      HIS  16   0.117   3.114  -5.675
  145    H    GLN  17           HN       GLN  17  -3.521  -1.708  -1.659
  146    HA   GLN  17           HA       GLN  17  -6.140  -2.527  -2.403
  147    HB2  GLN  17           HB2      GLN  17  -4.463  -3.418  -0.046
  148    HB3  GLN  17           HB1      GLN  17  -5.905  -4.227  -0.638
  149    HG2  GLN  17           HG2      GLN  17  -3.256  -3.955  -2.043
  150    HG3  GLN  17           HG1      GLN  17  -4.005  -5.426  -1.426
  151   HE21  GLN  17          HE21      GLN  17  -3.101  -4.641  -4.139
  152   HE22  GLN  17          HE22      GLN  17  -4.474  -4.875  -5.162
  153    H    ASN  18           HN       ASN  18  -4.805  -0.624   0.206
  154    HA   ASN  18           HA       ASN  18  -7.097  -0.425   1.816
  155    HB2  ASN  18           HB2      ASN  18  -4.963   0.388   2.636
  156    HB3  ASN  18           HB1      ASN  18  -4.872   1.570   1.334
  157   HD21  ASN  18          HD21      ASN  18  -4.789   3.384   2.603
  158   HD22  ASN  18          HD22      ASN  18  -6.097   3.897   3.604
  159    H    LEU  19           HN       LEU  19  -6.019   1.437  -0.979
  160    HA   LEU  19           HA       LEU  19  -8.190   3.280  -0.926
  161    HB2  LEU  19           HB2      LEU  19  -6.326   2.542  -3.184
  162    HB3  LEU  19           HB1      LEU  19  -7.406   3.924  -3.174
  163    HG   LEU  19           HG       LEU  19  -5.060   3.496  -1.319
  164   HD11  LEU  19          HD11      LEU  19  -4.100   5.422  -2.506
  165   HD12  LEU  19          HD12      LEU  19  -5.471   5.405  -3.616
  166   HD13  LEU  19          HD13      LEU  19  -4.356   4.039  -3.571
  167   HD21  LEU  19          HD21      LEU  19  -5.516   5.783  -0.559
  168   HD22  LEU  19          HD22      LEU  19  -6.849   4.692  -0.189
  169   HD23  LEU  19          HD23      LEU  19  -6.978   5.813  -1.545
  170    H    LEU  20           HN       LEU  20  -7.705   0.119  -2.285
  171    HA   LEU  20           HA       LEU  20  -9.991   0.206  -4.012
  172    HB2  LEU  20           HB2      LEU  20  -8.377  -2.113  -2.957
  173    HB3  LEU  20           HB1      LEU  20  -9.681  -2.272  -4.117
  174    HG   LEU  20           HG       LEU  20  -7.103  -0.766  -4.552
  175   HD11  LEU  20          HD11      LEU  20  -6.819  -3.185  -4.537
  176   HD12  LEU  20          HD12      LEU  20  -6.610  -2.526  -6.157
  177   HD13  LEU  20          HD13      LEU  20  -8.109  -3.348  -5.729
  178   HD21  LEU  20          HD21      LEU  20  -8.924   0.300  -5.744
  179   HD22  LEU  20          HD22      LEU  20  -9.435  -1.255  -6.401
  180   HD23  LEU  20          HD23      LEU  20  -7.886  -0.563  -6.877
  181    H    LYS  21           HN       LYS  21  -9.391  -0.547  -0.688
  182    HA   LYS  21           HA       LYS  21 -11.923  -1.865  -0.290
  183    HB2  LYS  21           HB2      LYS  21  -9.943  -2.456   1.075
  184    HB3  LYS  21           HB1      LYS  21  -9.948  -0.835   1.755
  185    HG2  LYS  21           HG2      LYS  21 -12.171  -1.249   2.702
  186    HG3  LYS  21           HG1      LYS  21 -12.128  -2.887   2.052
  187    HD2  LYS  21           HD2      LYS  21 -10.143  -3.364   3.407
  188    HD3  LYS  21           HD1      LYS  21 -10.207  -1.728   4.066
  189    HE2  LYS  21           HE2      LYS  21 -12.405  -2.192   5.022
  190    HE3  LYS  21           HE1      LYS  21 -12.364  -3.820   4.348
  191    HZ1  LYS  21           HZ1      LYS  21 -10.455  -2.747   6.351
  192    HZ2  LYS  21           HZ2      LYS  21 -10.464  -4.320   5.733
  193    HZ3  LYS  21           HZ3      LYS  21 -11.750  -3.781   6.690
  194    H    GLU  22           HN       GLU  22 -13.147  -0.078  -1.246
  195    HA   GLU  22           HA       GLU  22 -13.486   2.265   0.423
  196    HB2  GLU  22           HB2      GLU  22 -13.670   2.344  -2.081
  197    HB3  GLU  22           HB1      GLU  22 -15.134   1.381  -1.957
  198    HG2  GLU  22           HG2      GLU  22 -15.526   3.816  -2.239
  199    HG3  GLU  22           HG1      GLU  22 -16.276   3.121  -0.801
  200    H    LEU  23           HN       LEU  23 -13.844   0.497   2.139
  201    HA   LEU  23           HA       LEU  23 -16.724  -0.063   2.365
  202    HB2  LEU  23           HB2      LEU  23 -14.462  -1.875   3.212
  203    HB3  LEU  23           HB1      LEU  23 -16.168  -2.188   3.460
  204    HG   LEU  23           HG       LEU  23 -14.850  -1.963   0.751
  205   HD11  LEU  23          HD11      LEU  23 -15.712  -4.417   2.275
  206   HD12  LEU  23          HD12      LEU  23 -14.047  -3.918   1.986
  207   HD13  LEU  23          HD13      LEU  23 -15.076  -4.382   0.632
  208   HD21  LEU  23          HD21      LEU  23 -16.943  -2.910  -0.075
  209   HD22  LEU  23          HD22      LEU  23 -17.220  -1.374   0.744
  210   HD23  LEU  23          HD23      LEU  23 -17.606  -2.891   1.559
  211    H    GLN  24           HN       GLN  24 -17.170   1.576   3.770
  212    HA   GLN  24           HA       GLN  24 -16.020   1.269   6.448
  213    HB2  GLN  24           HB2      GLN  24 -15.892   3.686   6.736
  214    HB3  GLN  24           HB1      GLN  24 -14.900   3.182   5.377
  215    HG2  GLN  24           HG2      GLN  24 -16.652   3.899   3.833
  216    HG3  GLN  24           HG1      GLN  24 -17.641   4.414   5.200
  217   HE21  GLN  24          HE21      GLN  24 -16.986   6.209   6.417
  218   HE22  GLN  24          HE22      GLN  24 -15.883   7.376   5.774
  219    H    ASP  25           HN       ASP  25 -17.434   2.064   8.151
  220    HA   ASP  25           HA       ASP  25 -20.248   2.095   7.287
  221    HB2  ASP  25           HB2      ASP  25 -19.073   0.821   9.768
  222    HB3  ASP  25           HB1      ASP  25 -20.795   0.970   9.440
  Start of MODEL   11
    1    H1   PHE   1           HT1      PHE   1  14.345   9.938   0.609
    2    H2   PHE   1           HT2      PHE   1  14.781  10.486   2.147
    3    H3   PHE   1           HT3      PHE   1  13.206   9.948   1.859
    4    HA   PHE   1           HA       PHE   1  15.645   8.278   1.743
    5    HB2  PHE   1           HB2      PHE   1  14.922   9.030   4.037
    6    HB3  PHE   1           HB1      PHE   1  13.383   8.227   3.756
    7    HD1  PHE   1           HD1      PHE   1  13.120   5.994   4.318
    8    HD2  PHE   1           HD2      PHE   1  17.038   7.592   3.882
    9    HE1  PHE   1           HE1      PHE   1  14.068   3.900   5.190
   10    HE2  PHE   1           HE2      PHE   1  17.992   5.499   4.744
   11    HZ   PHE   1           HZ       PHE   1  16.508   3.646   5.402
   12    H    GLU   2           HN       GLU   2  14.921   7.614  -0.373
   13    HA   GLU   2           HA       GLU   2  12.470   5.985  -0.326
   14    HB2  GLU   2           HB2      GLU   2  13.945   7.077  -2.731
   15    HB3  GLU   2           HB1      GLU   2  12.414   6.216  -2.760
   16    HG2  GLU   2           HG2      GLU   2  11.432   8.078  -1.419
   17    HG3  GLU   2           HG1      GLU   2  12.953   8.946  -1.617
   18    H    THR   3           HN       THR   3  13.649   4.295   0.718
   19    HA   THR   3           HA       THR   3  15.790   3.045  -0.825
   20    HB   THR   3           HB       THR   3  16.016   1.604   1.241
   21    HG1  THR   3           HG1      THR   3  13.769   2.257   1.918
   22   HG21  THR   3          HG21      THR   3  17.479   3.516   0.838
   23   HG22  THR   3          HG22      THR   3  17.115   3.352   2.556
   24   HG23  THR   3          HG23      THR   3  16.301   4.587   1.597
   25    H    LEU   4           HN       LEU   4  14.885   1.833  -2.422
   26    HA   LEU   4           HA       LEU   4  12.532   0.238  -1.899
   27    HB2  LEU   4           HB2      LEU   4  12.856   1.320  -4.084
   28    HB3  LEU   4           HB1      LEU   4  14.298   0.359  -4.343
   29    HG   LEU   4           HG       LEU   4  12.904  -1.690  -4.314
   30   HD11  LEU   4          HD11      LEU   4  10.629   0.276  -4.139
   31   HD12  LEU   4          HD12      LEU   4  11.077  -0.936  -2.938
   32   HD13  LEU   4          HD13      LEU   4  10.460  -1.439  -4.511
   33   HD21  LEU   4          HD21      LEU   4  11.858  -1.333  -6.496
   34   HD22  LEU   4          HD22      LEU   4  13.471  -0.626  -6.430
   35   HD23  LEU   4          HD23      LEU   4  12.049   0.409  -6.302
   36    H    ARG   5           HN       ARG   5  13.538  -0.939  -0.163
   37    HA   ARG   5           HA       ARG   5  15.558  -2.904  -0.893
   38    HB2  ARG   5           HB2      ARG   5  14.158  -2.501   1.752
   39    HB3  ARG   5           HB1      ARG   5  15.587  -3.480   1.465
   40    HG2  ARG   5           HG2      ARG   5  16.839  -1.471   0.861
   41    HG3  ARG   5           HG1      ARG   5  15.404  -0.492   1.166
   42    HD2  ARG   5           HD2      ARG   5  16.843  -2.195   3.195
   43    HD3  ARG   5           HD1      ARG   5  16.969  -0.445   3.050
   44    HE   ARG   5           HE       ARG   5  14.405  -1.775   3.668
   45   HH11  ARG   5          HH11      ARG   5  16.814   0.692   4.316
   46   HH12  ARG   5          HH12      ARG   5  15.939   1.370   5.649
   47   HH21  ARG   5          HH21      ARG   5  13.256  -0.866   5.434
   48   HH22  ARG   5          HH22      ARG   5  13.924   0.495   6.278
   49    H    GLY   6           HN       GLY   6  12.174  -2.620  -0.627
   50    HA2  GLY   6           HA2      GLY   6  11.267  -4.704  -1.926
   51    HA3  GLY   6           HA1      GLY   6  11.781  -5.518  -0.457
   52    H    ASP   7           HN       ASP   7  11.034  -3.902   1.525
   53    HA   ASP   7           HA       ASP   7   8.337  -4.539   1.802
   54    HB2  ASP   7           HB2      ASP   7   9.957  -2.561   3.396
   55    HB3  ASP   7           HB1      ASP   7   8.384  -3.190   3.867
   56    H    GLU   8           HN       GLU   8   9.821  -1.684   0.528
   57    HA   GLU   8           HA       GLU   8   7.728   0.145   0.825
   58    HB2  GLU   8           HB2      GLU   8  10.000   0.748   0.060
   59    HB3  GLU   8           HB1      GLU   8   9.687  -0.062  -1.466
   60    HG2  GLU   8           HG2      GLU   8   7.848   1.522  -1.890
   61    HG3  GLU   8           HG1      GLU   8   8.260   2.358  -0.396
   62    H    ARG   9           HN       ARG   9   8.207  -2.482  -1.432
   63    HA   ARG   9           HA       ARG   9   6.093  -1.732  -3.207
   64    HB2  ARG   9           HB2      ARG   9   7.477  -4.378  -2.757
   65    HB3  ARG   9           HB1      ARG   9   6.283  -4.098  -4.015
   66    HG2  ARG   9           HG2      ARG   9   8.936  -2.703  -3.751
   67    HG3  ARG   9           HG1      ARG   9   8.538  -3.979  -4.901
   68    HD2  ARG   9           HD2      ARG   9   7.313  -1.227  -4.763
   69    HD3  ARG   9           HD1      ARG   9   8.433  -1.815  -5.988
   70    HE   ARG   9           HE       ARG   9   6.423  -3.557  -6.233
   71   HH11  ARG   9          HH11      ARG   9   6.429  -0.068  -5.991
   72   HH12  ARG   9          HH12      ARG   9   4.989   0.130  -6.938
   73   HH21  ARG   9          HH21      ARG   9   4.520  -3.303  -7.491
   74   HH22  ARG   9          HH22      ARG   9   3.909  -1.709  -7.800
   75    H    ILE  10           HN       ILE  10   6.383  -3.915  -0.454
   76    HA   ILE  10           HA       ILE  10   3.729  -4.874  -0.503
   77    HB   ILE  10           HB       ILE  10   5.576  -4.547   1.874
   78   HG12  ILE  10          HG12      ILE  10   4.989  -6.978   0.169
   79   HG13  ILE  10          HG11      ILE  10   6.461  -6.019   0.082
   80   HG21  ILE  10          HG21      ILE  10   3.265  -4.739   2.596
   81   HG22  ILE  10          HG22      ILE  10   4.144  -6.222   2.970
   82   HG23  ILE  10          HG23      ILE  10   3.048  -6.170   1.589
   83   HD11  ILE  10          HD11      ILE  10   5.512  -7.604   2.454
   84   HD12  ILE  10          HD12      ILE  10   6.981  -6.631   2.392
   85   HD13  ILE  10          HD13      ILE  10   6.815  -8.046   1.352
   86    H    LEU  11           HN       LEU  11   5.266  -2.114   1.033
   87    HA   LEU  11           HA       LEU  11   3.100  -1.119   2.491
   88    HB2  LEU  11           HB2      LEU  11   5.576  -0.404   2.465
   89    HB3  LEU  11           HB1      LEU  11   5.149   0.594   1.095
   90    HG   LEU  11           HG       LEU  11   3.905   0.863   3.836
   91   HD11  LEU  11          HD11      LEU  11   6.121   2.438   2.531
   92   HD12  LEU  11          HD12      LEU  11   6.270   1.380   3.935
   93   HD13  LEU  11          HD13      LEU  11   5.320   2.860   4.044
   94   HD21  LEU  11          HD21      LEU  11   2.491   1.706   2.026
   95   HD22  LEU  11          HD22      LEU  11   3.833   2.680   1.425
   96   HD23  LEU  11          HD23      LEU  11   3.129   3.026   3.005
   97    H    SER  12           HN       SER  12   4.171  -0.330  -0.820
   98    HA   SER  12           HA       SER  12   2.070   1.515  -1.258
   99    HB2  SER  12           HB2      SER  12   2.844   1.306  -3.681
  100    HB3  SER  12           HB1      SER  12   4.028   1.868  -2.503
  101    HG   SER  12           HG       SER  12   5.098   0.011  -2.642
  102    H    ILE  13           HN       ILE  13   2.490  -1.901  -2.064
  103    HA   ILE  13           HA       ILE  13   0.135  -2.090  -3.625
  104    HB   ILE  13           HB       ILE  13   1.702  -4.209  -2.159
  105   HG12  ILE  13          HG12      ILE  13   1.428  -3.553  -5.102
  106   HG13  ILE  13          HG11      ILE  13   2.796  -3.101  -4.090
  107   HG21  ILE  13          HG21      ILE  13  -0.577  -4.991  -2.294
  108   HG22  ILE  13          HG22      ILE  13   0.400  -5.853  -3.485
  109   HG23  ILE  13          HG23      ILE  13  -0.667  -4.545  -3.998
  110   HD11  ILE  13          HD11      ILE  13   3.329  -5.445  -3.745
  111   HD12  ILE  13          HD12      ILE  13   3.290  -5.048  -5.462
  112   HD13  ILE  13          HD13      ILE  13   1.942  -5.916  -4.724
  113    H    LEU  14           HN       LEU  14   0.778  -2.731  -0.181
  114    HA   LEU  14           HA       LEU  14  -1.869  -3.441   0.475
  115    HB2  LEU  14           HB2      LEU  14   0.026  -3.846   1.978
  116    HB3  LEU  14           HB1      LEU  14   0.230  -2.119   2.198
  117    HG   LEU  14           HG       LEU  14  -2.017  -2.019   3.250
  118   HD11  LEU  14          HD11      LEU  14  -3.099  -4.099   3.943
  119   HD12  LEU  14          HD12      LEU  14  -1.893  -5.024   3.050
  120   HD13  LEU  14          HD13      LEU  14  -3.013  -3.972   2.186
  121   HD21  LEU  14          HD21      LEU  14  -1.359  -3.072   5.353
  122   HD22  LEU  14          HD22      LEU  14  -0.012  -2.200   4.621
  123   HD23  LEU  14          HD23      LEU  14  -0.089  -3.960   4.512
  124    H    ARG  15           HN       ARG  15  -0.195  -0.344   0.321
  125    HA   ARG  15           HA       ARG  15  -2.248   1.303   1.250
  126    HB2  ARG  15           HB2      ARG  15   0.019   2.119   0.896
  127    HB3  ARG  15           HB1      ARG  15  -0.128   1.852  -0.834
  128    HG2  ARG  15           HG2      ARG  15  -1.877   3.559  -0.944
  129    HG3  ARG  15           HG1      ARG  15  -1.706   3.835   0.791
  130    HD2  ARG  15           HD2      ARG  15   0.613   4.517   0.466
  131    HD3  ARG  15           HD1      ARG  15   0.477   4.200  -1.262
  132    HE   ARG  15           HE       ARG  15  -1.496   6.061  -0.409
  133   HH11  ARG  15          HH11      ARG  15   1.918   5.782  -1.136
  134   HH12  ARG  15          HH12      ARG  15   2.085   7.449  -1.588
  135   HH21  ARG  15          HH21      ARG  15  -1.276   8.259  -1.016
  136   HH22  ARG  15          HH22      ARG  15   0.274   8.852  -1.518
  137    H    HIS  16           HN       HIS  16  -1.640  -0.054  -1.942
  138    HA   HIS  16           HA       HIS  16  -3.761   1.374  -3.217
  139    HB2  HIS  16           HB2      HIS  16  -2.228  -1.089  -4.058
  140    HB3  HIS  16           HB1      HIS  16  -3.450  -0.315  -5.059
  141    HD1  HIS  16           HD1      HIS  16  -0.725  -0.462  -6.252
  142    HD2  HIS  16           HD2      HIS  16  -1.895   2.673  -3.786
  143    HE1  HIS  16           HE1      HIS  16   0.793   1.455  -6.826
  144    HE2  HIS  16           HE2      HIS  16  -0.081   3.391  -5.481
  145    H    GLN  17           HN       GLN  17  -3.467  -1.798  -1.716
  146    HA   GLN  17           HA       GLN  17  -6.060  -2.663  -2.534
  147    HB2  GLN  17           HB2      GLN  17  -4.231  -3.704  -0.368
  148    HB3  GLN  17           HB1      GLN  17  -5.726  -4.486  -0.865
  149    HG2  GLN  17           HG2      GLN  17  -3.275  -4.041  -2.560
  150    HG3  GLN  17           HG1      GLN  17  -3.856  -5.575  -1.916
  151   HE21  GLN  17          HE21      GLN  17  -3.376  -4.659  -4.686
  152   HE22  GLN  17          HE22      GLN  17  -4.866  -4.930  -5.524
  153    H    ASN  18           HN       ASN  18  -4.801  -0.904   0.205
  154    HA   ASN  18           HA       ASN  18  -7.144  -1.011   1.794
  155    HB2  ASN  18           HB2      ASN  18  -5.030  -0.273   2.760
  156    HB3  ASN  18           HB1      ASN  18  -4.976   1.098   1.657
  157   HD21  ASN  18          HD21      ASN  18  -4.954   2.657   3.251
  158   HD22  ASN  18          HD22      ASN  18  -6.312   2.971   4.270
  159    H    LEU  19           HN       LEU  19  -6.048   1.152  -0.758
  160    HA   LEU  19           HA       LEU  19  -8.313   2.894  -0.534
  161    HB2  LEU  19           HB2      LEU  19  -6.270   2.630  -2.737
  162    HB3  LEU  19           HB1      LEU  19  -7.438   3.928  -2.586
  163    HG   LEU  19           HG       LEU  19  -5.179   3.345  -0.668
  164   HD11  LEU  19          HD11      LEU  19  -5.592   5.582  -2.646
  165   HD12  LEU  19          HD12      LEU  19  -4.404   4.284  -2.764
  166   HD13  LEU  19          HD13      LEU  19  -4.279   5.478  -1.473
  167   HD21  LEU  19          HD21      LEU  19  -7.093   4.230   0.526
  168   HD22  LEU  19          HD22      LEU  19  -7.254   5.534  -0.650
  169   HD23  LEU  19          HD23      LEU  19  -5.839   5.463   0.398
  170    H    LEU  20           HN       LEU  20  -7.490   0.060  -2.401
  171    HA   LEU  20           HA       LEU  20  -9.646   0.246  -4.242
  172    HB2  LEU  20           HB2      LEU  20  -7.666  -1.177  -4.624
  173    HB3  LEU  20           HB1      LEU  20  -8.153  -2.197  -3.284
  174    HG   LEU  20           HG       LEU  20 -10.252  -2.735  -4.528
  175   HD11  LEU  20          HD11      LEU  20 -10.304  -2.268  -6.940
  176   HD12  LEU  20          HD12      LEU  20  -8.861  -1.269  -6.766
  177   HD13  LEU  20          HD13      LEU  20 -10.362  -0.795  -5.973
  178   HD21  LEU  20          HD21      LEU  20  -8.357  -4.254  -4.546
  179   HD22  LEU  20          HD22      LEU  20  -7.659  -3.390  -5.916
  180   HD23  LEU  20          HD23      LEU  20  -9.180  -4.264  -6.106
  181    H    LYS  21           HN       LYS  21  -9.193  -1.372  -1.137
  182    HA   LYS  21           HA       LYS  21 -11.625  -2.703  -0.954
  183    HB2  LYS  21           HB2      LYS  21  -9.793  -3.037   0.639
  184    HB3  LYS  21           HB1      LYS  21 -10.014  -1.403   1.247
  185    HG2  LYS  21           HG2      LYS  21 -12.221  -1.984   2.076
  186    HG3  LYS  21           HG1      LYS  21 -12.047  -3.615   1.426
  187    HD2  LYS  21           HD2      LYS  21 -11.582  -3.625   3.798
  188    HD3  LYS  21           HD1      LYS  21 -10.103  -3.966   2.900
  189    HE2  LYS  21           HE2      LYS  21  -9.443  -1.595   3.156
  190    HE3  LYS  21           HE1      LYS  21 -10.890  -1.321   4.124
  191    HZ1  LYS  21           HZ1      LYS  21  -8.679  -3.185   4.797
  192    HZ2  LYS  21           HZ2      LYS  21 -10.071  -2.944   5.724
  193    HZ3  LYS  21           HZ3      LYS  21  -8.963  -1.682   5.521
  194    H    GLU  22           HN       GLU  22 -13.664  -2.078  -0.616
  195    HA   GLU  22           HA       GLU  22 -14.132   0.740   0.080
  196    HB2  GLU  22           HB2      GLU  22 -14.994  -0.072  -2.135
  197    HB3  GLU  22           HB1      GLU  22 -16.048  -1.175  -1.262
  198    HG2  GLU  22           HG2      GLU  22 -17.221   0.659  -0.252
  199    HG3  GLU  22           HG1      GLU  22 -16.088   1.816  -0.950
  200    H    LEU  23           HN       LEU  23 -15.303   1.211   1.870
  201    HA   LEU  23           HA       LEU  23 -15.727  -0.983   3.726
  202    HB2  LEU  23           HB2      LEU  23 -16.038   1.995   4.130
  203    HB3  LEU  23           HB1      LEU  23 -16.073   0.777   5.391
  204    HG   LEU  23           HG       LEU  23 -13.676   1.417   3.671
  205   HD11  LEU  23          HD11      LEU  23 -14.205   3.255   5.165
  206   HD12  LEU  23          HD12      LEU  23 -12.756   2.412   5.714
  207   HD13  LEU  23          HD13      LEU  23 -14.297   2.142   6.530
  208   HD21  LEU  23          HD21      LEU  23 -12.457   0.030   5.291
  209   HD22  LEU  23          HD22      LEU  23 -13.677  -0.895   4.415
  210   HD23  LEU  23          HD23      LEU  23 -13.983  -0.381   6.075
  211    H    GLN  24           HN       GLN  24 -17.559  -1.976   2.835
  212    HA   GLN  24           HA       GLN  24 -19.948  -0.333   2.508
  213    HB2  GLN  24           HB2      GLN  24 -19.524  -3.251   1.849
  214    HB3  GLN  24           HB1      GLN  24 -20.949  -2.302   1.451
  215    HG2  GLN  24           HG2      GLN  24 -19.425  -0.802   0.116
  216    HG3  GLN  24           HG1      GLN  24 -18.173  -2.021   0.341
  217   HE21  GLN  24          HE21      GLN  24 -19.359  -1.100  -2.105
  218   HE22  GLN  24          HE22      GLN  24 -20.075  -2.489  -2.860
  219    H    ASP  25           HN       ASP  25 -21.875  -0.726   3.594
  220    HA   ASP  25           HA       ASP  25 -21.623  -2.409   6.000
  221    HB2  ASP  25           HB2      ASP  25 -23.184   0.173   5.708
  222    HB3  ASP  25           HB1      ASP  25 -23.128  -0.832   7.147
  Start of MODEL   12
    1    H1   PHE   1           HT1      PHE   1  20.620   8.286  -1.598
    2    H2   PHE   1           HT2      PHE   1  19.291   7.274  -1.861
    3    H3   PHE   1           HT3      PHE   1  20.826   6.800  -2.376
    4    HA   PHE   1           HA       PHE   1  21.604   6.643  -0.141
    5    HB2  PHE   1           HB2      PHE   1  19.833   6.799   1.697
    6    HB3  PHE   1           HB1      PHE   1  20.386   8.319   1.008
    7    HD1  PHE   1           HD1      PHE   1  17.627   5.832   0.818
    8    HD2  PHE   1           HD2      PHE   1  18.869   9.844   0.158
    9    HE1  PHE   1           HE1      PHE   1  15.298   6.475   0.366
   10    HE2  PHE   1           HE2      PHE   1  16.544  10.494  -0.300
   11    HZ   PHE   1           HZ       PHE   1  14.752   8.809  -0.196
   12    H    GLU   2           HN       GLU   2  21.514   4.658   0.897
   13    HA   GLU   2           HA       GLU   2  20.059   2.625  -0.554
   14    HB2  GLU   2           HB2      GLU   2  22.027   2.437   1.734
   15    HB3  GLU   2           HB1      GLU   2  21.345   1.054   0.894
   16    HG2  GLU   2           HG2      GLU   2  23.108   3.181  -0.302
   17    HG3  GLU   2           HG1      GLU   2  23.567   1.522   0.083
   18    H    THR   3           HN       THR   3  18.155   1.866   0.024
   19    HA   THR   3           HA       THR   3  17.398   1.782   2.843
   20    HB   THR   3           HB       THR   3  15.060   2.591   2.042
   21    HG1  THR   3           HG1      THR   3  16.616   3.035  -0.162
   22   HG21  THR   3          HG21      THR   3  17.386   4.482   2.373
   23   HG22  THR   3          HG22      THR   3  16.369   3.822   3.654
   24   HG23  THR   3          HG23      THR   3  15.690   4.948   2.481
   25    H    LEU   4           HN       LEU   4  15.862   0.171   3.322
   26    HA   LEU   4           HA       LEU   4  15.808  -1.979   1.402
   27    HB2  LEU   4           HB2      LEU   4  16.192  -2.397   3.801
   28    HB3  LEU   4           HB1      LEU   4  14.582  -1.803   4.153
   29    HG   LEU   4           HG       LEU   4  13.611  -3.673   2.885
   30   HD11  LEU   4          HD11      LEU   4  15.409  -4.010   1.278
   31   HD12  LEU   4          HD12      LEU   4  15.045  -5.509   2.132
   32   HD13  LEU   4          HD13      LEU   4  16.472  -4.570   2.567
   33   HD21  LEU   4          HD21      LEU   4  15.618  -4.555   4.953
   34   HD22  LEU   4          HD22      LEU   4  14.177  -5.441   4.452
   35   HD23  LEU   4          HD23      LEU   4  14.017  -3.897   5.290
   36    H    ARG   5           HN       ARG   5  14.585  -1.050  -0.223
   37    HA   ARG   5           HA       ARG   5  11.883  -0.162   0.315
   38    HB2  ARG   5           HB2      ARG   5  13.382  -0.405  -2.293
   39    HB3  ARG   5           HB1      ARG   5  11.842   0.412  -2.066
   40    HG2  ARG   5           HG2      ARG   5  12.888   2.035  -0.602
   41    HG3  ARG   5           HG1      ARG   5  14.429   1.190  -0.741
   42    HD2  ARG   5           HD2      ARG   5  14.441   1.647  -3.156
   43    HD3  ARG   5           HD1      ARG   5  12.924   2.528  -2.982
   44    HE   ARG   5           HE       ARG   5  14.832   3.591  -1.201
   45   HH11  ARG   5          HH11      ARG   5  14.135   3.448  -4.633
   46   HH12  ARG   5          HH12      ARG   5  14.923   4.954  -4.984
   47   HH21  ARG   5          HH21      ARG   5  15.858   5.568  -1.662
   48   HH22  ARG   5          HH22      ARG   5  15.897   6.166  -3.288
   49    H    GLY   6           HN       GLY   6  13.168  -3.110   0.064
   50    HA2  GLY   6           HA2      GLY   6  11.527  -4.506  -1.734
   51    HA3  GLY   6           HA1      GLY   6  12.273  -5.198  -0.302
   52    H    ASP   7           HN       ASP   7  11.053  -3.810   1.717
   53    HA   ASP   7           HA       ASP   7   8.440  -4.985   1.698
   54    HB2  ASP   7           HB2      ASP   7   9.840  -3.322   3.794
   55    HB3  ASP   7           HB1      ASP   7   8.251  -4.049   4.009
   56    H    GLU   8           HN       GLU   8   9.761  -1.903   1.006
   57    HA   GLU   8           HA       GLU   8   7.528  -0.262   1.425
   58    HB2  GLU   8           HB2      GLU   8   9.737   0.655   0.943
   59    HB3  GLU   8           HB1      GLU   8   9.708  -0.064  -0.661
   60    HG2  GLU   8           HG2      GLU   8   7.714   1.350  -1.163
   61    HG3  GLU   8           HG1      GLU   8   7.979   2.162   0.378
   62    H    ARG   9           HN       ARG   9   8.448  -2.397  -1.202
   63    HA   ARG   9           HA       ARG   9   6.463  -1.731  -3.063
   64    HB2  ARG   9           HB2      ARG   9   7.969  -4.268  -2.488
   65    HB3  ARG   9           HB1      ARG   9   6.736  -4.211  -3.738
   66    HG2  ARG   9           HG2      ARG   9   9.123  -2.382  -3.652
   67    HG3  ARG   9           HG1      ARG   9   9.058  -3.891  -4.564
   68    HD2  ARG   9           HD2      ARG   9   7.263  -1.494  -4.923
   69    HD3  ARG   9           HD1      ARG   9   8.543  -2.016  -6.016
   70    HE   ARG   9           HE       ARG   9   7.117  -4.147  -6.186
   71   HH11  ARG   9          HH11      ARG   9   5.813  -0.930  -5.727
   72   HH12  ARG   9          HH12      ARG   9   4.304  -1.298  -6.499
   73   HH21  ARG   9          HH21      ARG   9   5.149  -4.632  -7.203
   74   HH22  ARG   9          HH22      ARG   9   3.930  -3.404  -7.354
   75    H    ILE  10           HN       ILE  10   6.418  -3.828  -0.264
   76    HA   ILE  10           HA       ILE  10   3.800  -4.855  -0.696
   77    HB   ILE  10           HB       ILE  10   5.401  -4.641   1.865
   78   HG12  ILE  10          HG12      ILE  10   4.914  -7.007   0.039
   79   HG13  ILE  10          HG11      ILE  10   6.403  -6.072   0.092
   80   HG21  ILE  10          HG21      ILE  10   3.015  -4.801   2.343
   81   HG22  ILE  10          HG22      ILE  10   3.841  -6.298   2.776
   82   HG23  ILE  10          HG23      ILE  10   2.888  -6.215   1.295
   83   HD11  ILE  10          HD11      ILE  10   6.655  -8.115   1.336
   84   HD12  ILE  10          HD12      ILE  10   5.248  -7.723   2.324
   85   HD13  ILE  10          HD13      ILE  10   6.707  -6.738   2.438
   86    H    LEU  11           HN       LEU  11   5.134  -2.179   1.189
   87    HA   LEU  11           HA       LEU  11   2.791  -1.314   2.427
   88    HB2  LEU  11           HB2      LEU  11   5.118  -0.549   2.937
   89    HB3  LEU  11           HB1      LEU  11   5.084   0.408   1.474
   90    HG   LEU  11           HG       LEU  11   3.041   0.857   3.634
   91   HD11  LEU  11          HD11      LEU  11   5.790   2.088   3.465
   92   HD12  LEU  11          HD12      LEU  11   5.225   0.978   4.713
   93   HD13  LEU  11          HD13      LEU  11   4.505   2.581   4.567
   94   HD21  LEU  11          HD21      LEU  11   3.032   3.124   2.704
   95   HD22  LEU  11          HD22      LEU  11   2.646   1.920   1.474
   96   HD23  LEU  11          HD23      LEU  11   4.254   2.645   1.525
   97    H    SER  12           HN       SER  12   4.161  -0.432  -0.737
   98    HA   SER  12           HA       SER  12   2.187   1.524  -1.285
   99    HB2  SER  12           HB2      SER  12   3.078   1.402  -3.614
  100    HB3  SER  12           HB1      SER  12   4.311   1.667  -2.386
  101    HG   SER  12           HG       SER  12   3.737  -0.682  -3.844
  102    H    ILE  13           HN       ILE  13   2.502  -1.897  -2.158
  103    HA   ILE  13           HA       ILE  13   0.153  -1.942  -3.763
  104    HB   ILE  13           HB       ILE  13   1.568  -4.211  -2.350
  105   HG12  ILE  13          HG12      ILE  13   1.591  -3.338  -5.249
  106   HG13  ILE  13          HG11      ILE  13   2.892  -3.058  -4.098
  107   HG21  ILE  13          HG21      ILE  13  -0.750  -4.809  -2.751
  108   HG22  ILE  13          HG22      ILE  13   0.301  -5.691  -3.862
  109   HG23  ILE  13          HG23      ILE  13  -0.613  -4.296  -4.434
  110   HD11  ILE  13          HD11      ILE  13   1.919  -5.738  -5.058
  111   HD12  ILE  13          HD12      ILE  13   3.207  -5.475  -3.883
  112   HD13  ILE  13          HD13      ILE  13   3.406  -4.925  -5.547
  113    H    LEU  14           HN       LEU  14   0.815  -2.673  -0.371
  114    HA   LEU  14           HA       LEU  14  -1.794  -3.411   0.362
  115    HB2  LEU  14           HB2      LEU  14   0.174  -3.807   1.769
  116    HB3  LEU  14           HB1      LEU  14   0.364  -2.081   2.001
  117    HG   LEU  14           HG       LEU  14  -1.826  -2.033   3.169
  118   HD11  LEU  14          HD11      LEU  14  -1.651  -5.031   2.905
  119   HD12  LEU  14          HD12      LEU  14  -2.858  -3.980   2.163
  120   HD13  LEU  14          HD13      LEU  14  -2.800  -4.157   3.917
  121   HD21  LEU  14          HD21      LEU  14  -1.018  -3.082   5.222
  122   HD22  LEU  14          HD22      LEU  14   0.263  -2.179   4.414
  123   HD23  LEU  14          HD23      LEU  14   0.219  -3.938   4.302
  124    H    ARG  15           HN       ARG  15  -0.187  -0.272   0.153
  125    HA   ARG  15           HA       ARG  15  -2.236   1.328   1.167
  126    HB2  ARG  15           HB2      ARG  15  -0.018   2.214   0.680
  127    HB3  ARG  15           HB1      ARG  15  -0.259   1.930  -1.039
  128    HG2  ARG  15           HG2      ARG  15  -2.122   3.552  -1.005
  129    HG3  ARG  15           HG1      ARG  15  -1.760   3.888   0.688
  130    HD2  ARG  15           HD2      ARG  15   0.514   4.566   0.040
  131    HD3  ARG  15           HD1      ARG  15   0.100   4.285  -1.648
  132    HE   ARG  15           HE       ARG  15  -1.718   6.106  -0.427
  133   HH11  ARG  15          HH11      ARG  15   1.488   5.843  -1.788
  134   HH12  ARG  15          HH12      ARG  15   1.597   7.525  -2.199
  135   HH21  ARG  15          HH21      ARG  15  -1.584   8.329  -0.955
  136   HH22  ARG  15          HH22      ARG  15  -0.151   8.941  -1.715
  137    H    HIS  16           HN       HIS  16  -1.731  -0.056  -2.018
  138    HA   HIS  16           HA       HIS  16  -3.937   1.263  -3.247
  139    HB2  HIS  16           HB2      HIS  16  -2.390  -1.209  -4.028
  140    HB3  HIS  16           HB1      HIS  16  -3.690  -0.541  -5.003
  141    HD1  HIS  16           HD1      HIS  16  -1.458  -0.481  -6.679
  142    HD2  HIS  16           HD2      HIS  16  -1.748   2.371  -3.673
  143    HE1  HIS  16           HE1      HIS  16   0.076   1.389  -7.370
  144    HE2  HIS  16           HE2      HIS  16   0.029   3.003  -5.439
  145    H    GLN  17           HN       GLN  17  -3.544  -1.683  -1.426
  146    HA   GLN  17           HA       GLN  17  -6.151  -2.715  -1.996
  147    HB2  GLN  17           HB2      GLN  17  -4.283  -3.353   0.299
  148    HB3  GLN  17           HB1      GLN  17  -5.725  -4.263  -0.124
  149    HG2  GLN  17           HG2      GLN  17  -3.188  -4.004  -1.718
  150    HG3  GLN  17           HG1      GLN  17  -3.849  -5.451  -0.961
  151   HE21  GLN  17          HE21      GLN  17  -3.136  -4.875  -3.753
  152   HE22  GLN  17          HE22      GLN  17  -4.562  -5.185  -4.677
  153    H    ASN  18           HN       ASN  18  -4.740  -0.655   0.465
  154    HA   ASN  18           HA       ASN  18  -7.000  -0.552   2.164
  155    HB2  ASN  18           HB2      ASN  18  -4.822   0.103   2.997
  156    HB3  ASN  18           HB1      ASN  18  -4.702   1.378   1.793
  157   HD21  ASN  18          HD21      ASN  18  -5.546   3.345   2.234
  158   HD22  ASN  18          HD22      ASN  18  -6.396   3.727   3.685
  159    H    LEU  19           HN       LEU  19  -6.065   1.228  -0.692
  160    HA   LEU  19           HA       LEU  19  -8.262   3.081  -0.507
  161    HB2  LEU  19           HB2      LEU  19  -6.367   2.441  -2.765
  162    HB3  LEU  19           HB1      LEU  19  -7.570   3.714  -2.819
  163    HG   LEU  19           HG       LEU  19  -5.266   3.597  -0.870
  164   HD11  LEU  19          HD11      LEU  19  -4.353   5.456  -2.177
  165   HD12  LEU  19          HD12      LEU  19  -5.669   5.280  -3.338
  166   HD13  LEU  19          HD13      LEU  19  -4.489   3.985  -3.139
  167   HD21  LEU  19          HD21      LEU  19  -7.321   5.737  -1.417
  168   HD22  LEU  19          HD22      LEU  19  -5.917   5.916  -0.367
  169   HD23  LEU  19          HD23      LEU  19  -7.186   4.766   0.049
  170    H    LEU  20           HN       LEU  20  -7.683  -0.045  -1.894
  171    HA   LEU  20           HA       LEU  20  -9.946   0.008  -3.664
  172    HB2  LEU  20           HB2      LEU  20  -7.892  -1.346  -4.071
  173    HB3  LEU  20           HB1      LEU  20  -8.319  -2.344  -2.697
  174    HG   LEU  20           HG       LEU  20 -10.382  -3.046  -3.866
  175   HD11  LEU  20          HD11      LEU  20 -10.714  -1.086  -5.268
  176   HD12  LEU  20          HD12      LEU  20 -10.636  -2.549  -6.250
  177   HD13  LEU  20          HD13      LEU  20  -9.247  -1.464  -6.170
  178   HD21  LEU  20          HD21      LEU  20  -9.287  -4.472  -5.517
  179   HD22  LEU  20          HD22      LEU  20  -8.355  -4.394  -4.022
  180   HD23  LEU  20          HD23      LEU  20  -7.839  -3.469  -5.433
  181    H    LYS  21           HN       LYS  21  -9.588  -0.299  -0.370
  182    HA   LYS  21           HA       LYS  21 -11.688  -2.174   0.155
  183    HB2  LYS  21           HB2      LYS  21  -9.835  -1.673   1.751
  184    HB3  LYS  21           HB1      LYS  21 -10.507  -0.065   1.978
  185    HG2  LYS  21           HG2      LYS  21 -12.570  -1.068   2.850
  186    HG3  LYS  21           HG1      LYS  21 -11.851  -2.670   2.664
  187    HD2  LYS  21           HD2      LYS  21  -9.991  -1.900   4.173
  188    HD3  LYS  21           HD1      LYS  21 -10.942  -0.445   4.483
  189    HE2  LYS  21           HE2      LYS  21 -11.310  -2.042   6.255
  190    HE3  LYS  21           HE1      LYS  21 -12.787  -1.869   5.310
  191    HZ1  LYS  21           HZ1      LYS  21 -12.220  -3.915   4.136
  192    HZ2  LYS  21           HZ2      LYS  21 -12.340  -4.180   5.799
  193    HZ3  LYS  21           HZ3      LYS  21 -10.819  -4.082   5.071
  194    H    GLU  22           HN       GLU  22 -13.730  -1.717  -0.403
  195    HA   GLU  22           HA       GLU  22 -14.584   1.050  -0.631
  196    HB2  GLU  22           HB2      GLU  22 -16.053  -1.504  -1.314
  197    HB3  GLU  22           HB1      GLU  22 -16.589   0.124  -1.707
  198    HG2  GLU  22           HG2      GLU  22 -14.569   0.421  -3.088
  199    HG3  GLU  22           HG1      GLU  22 -14.123  -1.250  -2.747
  200    H    LEU  23           HN       LEU  23 -14.096   0.444   1.944
  201    HA   LEU  23           HA       LEU  23 -16.765   0.632   3.123
  202    HB2  LEU  23           HB2      LEU  23 -16.042  -1.686   3.460
  203    HB3  LEU  23           HB1      LEU  23 -14.544  -1.124   4.176
  204    HG   LEU  23           HG       LEU  23 -15.865  -0.096   6.021
  205   HD11  LEU  23          HD11      LEU  23 -18.195  -0.803   6.316
  206   HD12  LEU  23          HD12      LEU  23 -18.161  -1.545   4.717
  207   HD13  LEU  23          HD13      LEU  23 -17.979   0.201   4.883
  208   HD21  LEU  23          HD21      LEU  23 -16.282  -3.055   5.618
  209   HD22  LEU  23          HD22      LEU  23 -16.359  -2.197   7.157
  210   HD23  LEU  23          HD23      LEU  23 -14.835  -2.292   6.276
  211    H    GLN  24           HN       GLN  24 -16.530   2.792   3.464
  212    HA   GLN  24           HA       GLN  24 -14.291   3.625   5.189
  213    HB2  GLN  24           HB2      GLN  24 -15.969   5.292   3.312
  214    HB3  GLN  24           HB1      GLN  24 -14.680   5.903   4.335
  215    HG2  GLN  24           HG2      GLN  24 -13.049   4.612   3.115
  216    HG3  GLN  24           HG1      GLN  24 -14.320   3.884   2.132
  217   HE21  GLN  24          HE21      GLN  24 -15.814   6.405   1.989
  218   HE22  GLN  24          HE22      GLN  24 -14.959   7.390   0.856
  219    H    ASP  25           HN       ASP  25 -15.022   5.778   6.370
  220    HA   ASP  25           HA       ASP  25 -17.468   5.083   7.826
  221    HB2  ASP  25           HB2      ASP  25 -15.219   6.950   8.624
  222    HB3  ASP  25           HB1      ASP  25 -16.611   6.537   9.616
  Start of MODEL   13
    1    H1   PHE   1           HT1      PHE   1  20.925   6.925  -2.046
    2    H2   PHE   1           HT2      PHE   1  21.550   6.595  -3.580
    3    H3   PHE   1           HT3      PHE   1  22.419   7.566  -2.504
    4    HA   PHE   1           HA       PHE   1  23.342   5.340  -2.661
    5    HB2  PHE   1           HB2      PHE   1  23.486   4.902  -0.261
    6    HB3  PHE   1           HB1      PHE   1  23.566   6.630  -0.558
    7    HD1  PHE   1           HD1      PHE   1  21.718   3.936   1.000
    8    HD2  PHE   1           HD2      PHE   1  21.657   8.073   0.016
    9    HE1  PHE   1           HE1      PHE   1  19.927   4.296   2.645
   10    HE2  PHE   1           HE2      PHE   1  19.859   8.438   1.651
   11    HZ   PHE   1           HZ       PHE   1  18.992   6.550   2.971
   12    H    GLU   2           HN       GLU   2  22.923   3.153  -1.303
   13    HA   GLU   2           HA       GLU   2  20.797   1.855  -2.662
   14    HB2  GLU   2           HB2      GLU   2  22.645   0.954  -0.456
   15    HB3  GLU   2           HB1      GLU   2  21.449  -0.105  -1.187
   16    HG2  GLU   2           HG2      GLU   2  23.775   1.213  -2.573
   17    HG3  GLU   2           HG1      GLU   2  23.603  -0.493  -2.171
   18    H    THR   3           HN       THR   3  18.995   3.131  -1.962
   19    HA   THR   3           HA       THR   3  18.064   2.894   0.740
   20    HB   THR   3           HB       THR   3  15.902   3.774  -0.248
   21    HG1  THR   3           HG1      THR   3  17.210   3.164  -2.539
   22   HG21  THR   3          HG21      THR   3  17.572   5.243   0.770
   23   HG22  THR   3          HG22      THR   3  16.793   6.026  -0.605
   24   HG23  THR   3          HG23      THR   3  18.418   5.359  -0.773
   25    H    LEU   4           HN       LEU   4  17.092   1.175   1.603
   26    HA   LEU   4           HA       LEU   4  16.471  -1.095  -0.052
   27    HB2  LEU   4           HB2      LEU   4  17.495  -1.395   2.149
   28    HB3  LEU   4           HB1      LEU   4  16.104  -0.648   2.910
   29    HG   LEU   4           HG       LEU   4  14.694  -2.522   2.124
   30   HD11  LEU   4          HD11      LEU   4  15.947  -3.187   0.164
   31   HD12  LEU   4          HD12      LEU   4  15.790  -4.549   1.272
   32   HD13  LEU   4          HD13      LEU   4  17.314  -3.668   1.171
   33   HD21  LEU   4          HD21      LEU   4  17.119  -3.292   3.739
   34   HD22  LEU   4          HD22      LEU   4  15.613  -4.206   3.661
   35   HD23  LEU   4          HD23      LEU   4  15.625  -2.585   4.355
   36    H    ARG   5           HN       ARG   5  14.785  -0.510  -1.338
   37    HA   ARG   5           HA       ARG   5  12.257   0.188  -0.006
   38    HB2  ARG   5           HB2      ARG   5  13.174   0.743  -2.824
   39    HB3  ARG   5           HB1      ARG   5  11.577   1.126  -2.200
   40    HG2  ARG   5           HG2      ARG   5  12.553   2.651  -0.580
   41    HG3  ARG   5           HG1      ARG   5  14.170   2.244  -1.159
   42    HD2  ARG   5           HD2      ARG   5  11.995   3.468  -2.846
   43    HD3  ARG   5           HD1      ARG   5  13.294   4.374  -2.073
   44    HE   ARG   5           HE       ARG   5  14.432   2.338  -3.638
   45   HH11  ARG   5          HH11      ARG   5  12.609   5.298  -4.028
   46   HH12  ARG   5          HH12      ARG   5  13.337   5.698  -5.552
   47   HH21  ARG   5          HH21      ARG   5  15.395   2.865  -5.649
   48   HH22  ARG   5          HH22      ARG   5  14.920   4.317  -6.470
   49    H    GLY   6           HN       GLY   6  13.223  -2.480  -0.229
   50    HA2  GLY   6           HA2      GLY   6  11.809  -3.807  -2.351
   51    HA3  GLY   6           HA1      GLY   6  12.572  -4.579  -0.967
   52    H    ASP   7           HN       ASP   7  11.332  -3.679   1.181
   53    HA   ASP   7           HA       ASP   7   8.760  -4.887   1.025
   54    HB2  ASP   7           HB2      ASP   7  10.213  -3.471   3.250
   55    HB3  ASP   7           HB1      ASP   7   8.562  -4.048   3.441
   56    H    GLU   8           HN       GLU   8   9.904  -1.768   0.468
   57    HA   GLU   8           HA       GLU   8   7.704  -0.160   1.069
   58    HB2  GLU   8           HB2      GLU   8   9.963   0.594   0.251
   59    HB3  GLU   8           HB1      GLU   8   9.487   0.082  -1.361
   60    HG2  GLU   8           HG2      GLU   8   9.135   2.395  -1.298
   61    HG3  GLU   8           HG1      GLU   8   7.535   1.672  -1.140
   62    H    ARG   9           HN       ARG   9   8.276  -2.456  -1.505
   63    HA   ARG   9           HA       ARG   9   6.104  -1.769  -3.174
   64    HB2  ARG   9           HB2      ARG   9   7.669  -4.300  -2.748
   65    HB3  ARG   9           HB1      ARG   9   6.296  -4.254  -3.846
   66    HG2  ARG   9           HG2      ARG   9   8.592  -2.338  -4.075
   67    HG3  ARG   9           HG1      ARG   9   8.589  -3.916  -4.862
   68    HD2  ARG   9           HD2      ARG   9   6.472  -1.798  -5.238
   69    HD3  ARG   9           HD1      ARG   9   7.817  -2.078  -6.344
   70    HE   ARG   9           HE       ARG   9   6.711  -4.504  -6.244
   71   HH11  ARG   9          HH11      ARG   9   5.214  -1.359  -6.662
   72   HH12  ARG   9          HH12      ARG   9   3.920  -1.976  -7.640
   73   HH21  ARG   9          HH21      ARG   9   5.019  -5.300  -7.521
   74   HH22  ARG   9          HH22      ARG   9   3.809  -4.217  -8.125
   75    H    ILE  10           HN       ILE  10   6.402  -3.913  -0.408
   76    HA   ILE  10           HA       ILE  10   3.779  -4.951  -0.469
   77    HB   ILE  10           HB       ILE  10   5.688  -4.566   1.848
   78   HG12  ILE  10          HG12      ILE  10   4.894  -7.066   0.339
   79   HG13  ILE  10          HG11      ILE  10   6.376  -6.163   0.056
   80   HG21  ILE  10          HG21      ILE  10   4.258  -6.119   3.108
   81   HG22  ILE  10          HG22      ILE  10   3.085  -6.092   1.791
   82   HG23  ILE  10          HG23      ILE  10   3.416  -4.622   2.708
   83   HD11  ILE  10          HD11      ILE  10   6.790  -8.110   1.429
   84   HD12  ILE  10          HD12      ILE  10   5.601  -7.554   2.607
   85   HD13  ILE  10          HD13      ILE  10   7.084  -6.636   2.351
   86    H    LEU  11           HN       LEU  11   5.219  -2.128   1.063
   87    HA   LEU  11           HA       LEU  11   2.951  -1.277   2.492
   88    HB2  LEU  11           HB2      LEU  11   5.361  -0.517   2.765
   89    HB3  LEU  11           HB1      LEU  11   5.114   0.497   1.361
   90    HG   LEU  11           HG       LEU  11   3.367   0.768   3.799
   91   HD11  LEU  11          HD11      LEU  11   5.695   0.995   4.519
   92   HD12  LEU  11          HD12      LEU  11   4.855   2.545   4.560
   93   HD13  LEU  11          HD13      LEU  11   5.972   2.182   3.245
   94   HD21  LEU  11          HD21      LEU  11   4.142   2.682   1.597
   95   HD22  LEU  11          HD22      LEU  11   3.059   3.036   2.942
   96   HD23  LEU  11          HD23      LEU  11   2.600   1.838   1.732
   97    H    SER  12           HN       SER  12   4.164  -0.372  -0.725
   98    HA   SER  12           HA       SER  12   2.137   1.559  -1.175
   99    HB2  SER  12           HB2      SER  12   2.993   1.435  -3.560
  100    HB3  SER  12           HB1      SER  12   4.182   1.852  -2.327
  101    HG   SER  12           HG       SER  12   5.141  -0.049  -2.556
  102    H    ILE  13           HN       ILE  13   2.516  -1.829  -2.152
  103    HA   ILE  13           HA       ILE  13   0.158  -1.882  -3.726
  104    HB   ILE  13           HB       ILE  13   1.632  -4.141  -2.366
  105   HG12  ILE  13          HG12      ILE  13   1.510  -3.303  -5.273
  106   HG13  ILE  13          HG11      ILE  13   2.836  -2.930  -4.179
  107   HG21  ILE  13          HG21      ILE  13   0.327  -5.643  -3.829
  108   HG22  ILE  13          HG22      ILE  13  -0.643  -4.264  -4.349
  109   HG23  ILE  13          HG23      ILE  13  -0.687  -4.788  -2.666
  110   HD11  ILE  13          HD11      ILE  13   1.963  -5.686  -5.000
  111   HD12  ILE  13          HD12      ILE  13   3.307  -5.301  -3.927
  112   HD13  ILE  13          HD13      ILE  13   3.363  -4.813  -5.621
  113    H    LEU  14           HN       LEU  14   0.825  -2.657  -0.332
  114    HA   LEU  14           HA       LEU  14  -1.794  -3.409   0.356
  115    HB2  LEU  14           HB2      LEU  14   0.144  -3.809   1.813
  116    HB3  LEU  14           HB1      LEU  14   0.303  -2.083   2.076
  117    HG   LEU  14           HG       LEU  14  -1.920  -2.068   3.166
  118   HD11  LEU  14          HD11      LEU  14  -2.922  -4.219   3.821
  119   HD12  LEU  14          HD12      LEU  14  -1.738  -5.057   2.818
  120   HD13  LEU  14          HD13      LEU  14  -2.920  -3.981   2.075
  121   HD21  LEU  14          HD21      LEU  14  -1.209  -3.195   5.224
  122   HD22  LEU  14          HD22      LEU  14   0.094  -2.243   4.513
  123   HD23  LEU  14          HD23      LEU  14   0.082  -3.997   4.331
  124    H    ARG  15           HN       ARG  15  -0.211  -0.270   0.140
  125    HA   ARG  15           HA       ARG  15  -2.302   1.282   1.180
  126    HB2  ARG  15           HB2      ARG  15  -0.034   2.151   0.730
  127    HB3  ARG  15           HB1      ARG  15  -0.336   2.018  -0.996
  128    HG2  ARG  15           HG2      ARG  15  -2.149   3.653  -0.798
  129    HG3  ARG  15           HG1      ARG  15  -1.816   3.798   0.930
  130    HD2  ARG  15           HD2      ARG  15   0.477   4.537   0.397
  131    HD3  ARG  15           HD1      ARG  15   0.083   4.453  -1.320
  132    HE   ARG  15           HE       ARG  15  -1.674   6.153   0.228
  133   HH11  ARG  15          HH11      ARG  15   1.272   5.954  -1.654
  134   HH12  ARG  15          HH12      ARG  15   1.321   7.652  -2.003
  135   HH21  ARG  15          HH21      ARG  15  -1.612   8.405  -0.229
  136   HH22  ARG  15          HH22      ARG  15  -0.310   9.044  -1.185
  137    H    HIS  16           HN       HIS  16  -1.667   0.039  -2.051
  138    HA   HIS  16           HA       HIS  16  -3.928   1.270  -3.274
  139    HB2  HIS  16           HB2      HIS  16  -2.220  -1.083  -4.086
  140    HB3  HIS  16           HB1      HIS  16  -3.575  -0.518  -5.052
  141    HD1  HIS  16           HD1      HIS  16  -1.451  -0.235  -6.782
  142    HD2  HIS  16           HD2      HIS  16  -1.792   2.499  -3.670
  143    HE1  HIS  16           HE1      HIS  16  -0.051   1.738  -7.463
  144    HE2  HIS  16           HE2      HIS  16  -0.144   3.305  -5.493
  145    H    GLN  17           HN       GLN  17  -3.428  -1.657  -1.475
  146    HA   GLN  17           HA       GLN  17  -5.954  -2.833  -2.134
  147    HB2  GLN  17           HB2      GLN  17  -4.065  -3.391   0.164
  148    HB3  GLN  17           HB1      GLN  17  -5.487  -4.347  -0.215
  149    HG2  GLN  17           HG2      GLN  17  -3.011  -4.026  -1.897
  150    HG3  GLN  17           HG1      GLN  17  -3.556  -5.473  -1.051
  151   HE21  GLN  17          HE21      GLN  17  -3.922  -3.483  -3.844
  152   HE22  GLN  17          HE22      GLN  17  -4.999  -4.526  -4.707
  153    H    ASN  18           HN       ASN  18  -4.711  -0.774   0.431
  154    HA   ASN  18           HA       ASN  18  -7.031  -0.864   2.058
  155    HB2  ASN  18           HB2      ASN  18  -4.832  -0.115   2.909
  156    HB3  ASN  18           HB1      ASN  18  -4.922   1.303   1.868
  157   HD21  ASN  18          HD21      ASN  18  -4.862   2.778   3.535
  158   HD22  ASN  18          HD22      ASN  18  -6.167   2.973   4.656
  159    H    LEU  19           HN       LEU  19  -5.966   1.239  -0.546
  160    HA   LEU  19           HA       LEU  19  -8.293   2.942  -0.381
  161    HB2  LEU  19           HB2      LEU  19  -6.099   2.764  -2.446
  162    HB3  LEU  19           HB1      LEU  19  -7.338   4.001  -2.404
  163    HG   LEU  19           HG       LEU  19  -5.280   3.571  -0.236
  164   HD11  LEU  19          HD11      LEU  19  -5.389   5.631  -2.436
  165   HD12  LEU  19          HD12      LEU  19  -4.224   4.312  -2.303
  166   HD13  LEU  19          HD13      LEU  19  -4.234   5.607  -1.105
  167   HD21  LEU  19          HD21      LEU  19  -7.309   5.752  -0.703
  168   HD22  LEU  19          HD22      LEU  19  -6.035   5.797   0.516
  169   HD23  LEU  19          HD23      LEU  19  -7.304   4.577   0.614
  170    H    LEU  20           HN       LEU  20  -8.434  -0.013  -1.001
  171    HA   LEU  20           HA       LEU  20 -10.196   0.215  -3.333
  172    HB2  LEU  20           HB2      LEU  20  -8.118  -0.756  -4.132
  173    HB3  LEU  20           HB1      LEU  20  -8.135  -1.934  -2.836
  174    HG   LEU  20           HG       LEU  20 -10.247  -2.869  -3.826
  175   HD11  LEU  20          HD11      LEU  20 -10.935  -0.921  -5.110
  176   HD12  LEU  20          HD12      LEU  20 -10.740  -2.325  -6.158
  177   HD13  LEU  20          HD13      LEU  20  -9.502  -1.069  -6.125
  178   HD21  LEU  20          HD21      LEU  20  -9.085  -4.089  -5.579
  179   HD22  LEU  20          HD22      LEU  20  -8.055  -3.900  -4.161
  180   HD23  LEU  20          HD23      LEU  20  -7.798  -2.886  -5.581
  181    H    LYS  21           HN       LYS  21  -9.092  -1.861  -0.695
  182    HA   LYS  21           HA       LYS  21 -11.309  -3.545  -0.540
  183    HB2  LYS  21           HB2      LYS  21  -9.080  -3.884   0.539
  184    HB3  LYS  21           HB1      LYS  21  -9.518  -2.675   1.731
  185    HG2  LYS  21           HG2      LYS  21 -11.382  -4.070   2.461
  186    HG3  LYS  21           HG1      LYS  21 -10.930  -5.289   1.270
  187    HD2  LYS  21           HD2      LYS  21  -9.074  -4.332   3.440
  188    HD3  LYS  21           HD1      LYS  21 -10.151  -5.711   3.637
  189    HE2  LYS  21           HE2      LYS  21  -8.129  -6.686   3.018
  190    HE3  LYS  21           HE1      LYS  21  -9.030  -6.630   1.507
  191    HZ1  LYS  21           HZ1      LYS  21  -6.668  -5.922   1.349
  192    HZ2  LYS  21           HZ2      LYS  21  -7.039  -4.579   2.301
  193    HZ3  LYS  21           HZ3      LYS  21  -7.765  -4.773   0.786
  194    H    GLU  22           HN       GLU  22 -10.641  -0.485   1.125
  195    HA   GLU  22           HA       GLU  22 -13.491  -0.160   1.588
  196    HB2  GLU  22           HB2      GLU  22 -12.637  -1.237   3.634
  197    HB3  GLU  22           HB1      GLU  22 -11.454   0.050   3.813
  198    HG2  GLU  22           HG2      GLU  22 -13.311   1.667   4.020
  199    HG3  GLU  22           HG1      GLU  22 -14.447   0.321   3.959
  200    H    LEU  23           HN       LEU  23 -13.750   1.663   0.421
  201    HA   LEU  23           HA       LEU  23 -12.252   4.012   1.296
  202    HB2  LEU  23           HB2      LEU  23 -11.125   3.103  -0.730
  203    HB3  LEU  23           HB1      LEU  23 -12.624   3.294  -1.615
  204    HG   LEU  23           HG       LEU  23 -12.510   5.735  -1.270
  205   HD11  LEU  23          HD11      LEU  23 -11.268   5.790   0.814
  206   HD12  LEU  23          HD12      LEU  23 -10.433   6.732  -0.421
  207   HD13  LEU  23          HD13      LEU  23  -9.847   5.125   0.010
  208   HD21  LEU  23          HD21      LEU  23 -11.596   4.769  -3.300
  209   HD22  LEU  23          HD22      LEU  23 -10.046   4.507  -2.499
  210   HD23  LEU  23          HD23      LEU  23 -10.624   6.149  -2.783
  211    H    GLN  24           HN       GLN  24 -14.425   4.069   2.365
  212    HA   GLN  24           HA       GLN  24 -16.403   5.323   0.574
  213    HB2  GLN  24           HB2      GLN  24 -16.879   3.833   3.167
  214    HB3  GLN  24           HB1      GLN  24 -18.123   4.621   2.210
  215    HG2  GLN  24           HG2      GLN  24 -17.750   3.087   0.385
  216    HG3  GLN  24           HG1      GLN  24 -16.397   2.353   1.241
  217   HE21  GLN  24          HE21      GLN  24 -17.720   2.392   3.823
  218   HE22  GLN  24          HE22      GLN  24 -18.929   1.160   3.769
  219    H    ASP  25           HN       ASP  25 -16.706   7.433   0.909
  220    HA   ASP  25           HA       ASP  25 -15.331   8.837   2.948
  221    HB2  ASP  25           HB2      ASP  25 -17.490   9.740   1.032
  222    HB3  ASP  25           HB1      ASP  25 -16.662  10.821   2.146
  Start of MODEL   14
    1    H1   PHE   1           HT1      PHE   1  18.065  11.295  -4.824
    2    H2   PHE   1           HT2      PHE   1  18.330  10.355  -3.446
    3    H3   PHE   1           HT3      PHE   1  16.810  11.033  -3.723
    4    HA   PHE   1           HA       PHE   1  16.513   9.685  -5.674
    5    HB2  PHE   1           HB2      PHE   1  18.112   7.888  -6.183
    6    HB3  PHE   1           HB1      PHE   1  18.882   9.463  -6.302
    7    HD1  PHE   1           HD1      PHE   1  18.694   6.337  -4.412
    8    HD2  PHE   1           HD2      PHE   1  20.611  10.118  -4.760
    9    HE1  PHE   1           HE1      PHE   1  20.472   5.569  -2.899
   10    HE2  PHE   1           HE2      PHE   1  22.393   9.359  -3.248
   11    HZ   PHE   1           HZ       PHE   1  22.327   7.080  -2.314
   12    H    GLU   2           HN       GLU   2  15.434   7.694  -5.470
   13    HA   GLU   2           HA       GLU   2  15.024   6.928  -2.680
   14    HB2  GLU   2           HB2      GLU   2  13.056   7.557  -4.051
   15    HB3  GLU   2           HB1      GLU   2  13.407   6.225  -5.142
   16    HG2  GLU   2           HG2      GLU   2  11.597   5.755  -3.520
   17    HG3  GLU   2           HG1      GLU   2  12.940   4.614  -3.441
   18    H    THR   3           HN       THR   3  15.390   4.913  -1.915
   19    HA   THR   3           HA       THR   3  17.020   3.159  -3.577
   20    HB   THR   3           HB       THR   3  17.292   1.877  -1.415
   21    HG1  THR   3           HG1      THR   3  15.297   3.371  -0.637
   22   HG21  THR   3          HG21      THR   3  18.845   3.480  -0.431
   23   HG22  THR   3          HG22      THR   3  18.114   4.781  -1.368
   24   HG23  THR   3          HG23      THR   3  18.972   3.479  -2.189
   25    H    LEU   4           HN       LEU   4  16.232   1.337  -4.484
   26    HA   LEU   4           HA       LEU   4  13.483   0.599  -3.981
   27    HB2  LEU   4           HB2      LEU   4  14.377   0.591  -6.271
   28    HB3  LEU   4           HB1      LEU   4  15.537  -0.639  -5.813
   29    HG   LEU   4           HG       LEU   4  13.695  -2.212  -5.384
   30   HD11  LEU   4          HD11      LEU   4  11.955  -0.646  -4.762
   31   HD12  LEU   4          HD12      LEU   4  11.422  -1.632  -6.121
   32   HD13  LEU   4          HD13      LEU   4  11.947   0.028  -6.390
   33   HD21  LEU   4          HD21      LEU   4  14.749  -2.174  -7.572
   34   HD22  LEU   4          HD22      LEU   4  13.627  -0.925  -8.108
   35   HD23  LEU   4          HD23      LEU   4  13.030  -2.536  -7.718
   36    H    ARG   5           HN       ARG   5  13.555  -0.090  -1.867
   37    HA   ARG   5           HA       ARG   5  15.422  -2.158  -1.083
   38    HB2  ARG   5           HB2      ARG   5  13.271  -0.782   0.520
   39    HB3  ARG   5           HB1      ARG   5  14.521  -1.838   1.164
   40    HG2  ARG   5           HG2      ARG   5  16.227  -0.246   0.345
   41    HG3  ARG   5           HG1      ARG   5  14.929   0.828  -0.171
   42    HD2  ARG   5           HD2      ARG   5  14.139   0.953   2.155
   43    HD3  ARG   5           HD1      ARG   5  15.479  -0.082   2.648
   44    HE   ARG   5           HE       ARG   5  16.172   2.387   1.253
   45   HH11  ARG   5          HH11      ARG   5  15.829   0.689   4.298
   46   HH12  ARG   5          HH12      ARG   5  16.861   1.778   5.167
   47   HH21  ARG   5          HH21      ARG   5  17.516   3.841   2.408
   48   HH22  ARG   5          HH22      ARG   5  17.806   3.576   4.097
   49    H    GLY   6           HN       GLY   6  12.453  -2.145  -2.545
   50    HA2  GLY   6           HA2      GLY   6  11.378  -4.072  -3.307
   51    HA3  GLY   6           HA1      GLY   6  12.288  -5.009  -2.136
   52    H    ASP   7           HN       ASP   7  11.618  -4.180   0.262
   53    HA   ASP   7           HA       ASP   7   9.021  -5.274   0.524
   54    HB2  ASP   7           HB2      ASP   7   9.276  -4.984   2.909
   55    HB3  ASP   7           HB1      ASP   7  10.784  -5.576   2.230
   56    H    GLU   8           HN       GLU   8  10.104  -2.099   0.056
   57    HA   GLU   8           HA       GLU   8   7.991  -0.622   1.176
   58    HB2  GLU   8           HB2      GLU   8  10.071   0.391   0.356
   59    HB3  GLU   8           HB1      GLU   8   9.645  -0.054  -1.290
   60    HG2  GLU   8           HG2      GLU   8   7.659   1.406  -1.121
   61    HG3  GLU   8           HG1      GLU   8   8.210   1.909   0.476
   62    H    ARG   9           HN       ARG   9   8.272  -2.514  -1.742
   63    HA   ARG   9           HA       ARG   9   6.033  -1.542  -3.145
   64    HB2  ARG   9           HB2      ARG   9   7.462  -4.189  -3.145
   65    HB3  ARG   9           HB1      ARG   9   6.052  -3.909  -4.153
   66    HG2  ARG   9           HG2      ARG   9   8.439  -2.101  -4.259
   67    HG3  ARG   9           HG1      ARG   9   8.350  -3.588  -5.204
   68    HD2  ARG   9           HD2      ARG   9   6.412  -1.278  -5.306
   69    HD3  ARG   9           HD1      ARG   9   7.615  -1.687  -6.529
   70    HE   ARG   9           HE       ARG   9   6.126  -3.952  -6.313
   71   HH11  ARG   9          HH11      ARG   9   5.397  -0.593  -6.971
   72   HH12  ARG   9          HH12      ARG   9   3.950  -0.944  -7.861
   73   HH21  ARG   9          HH21      ARG   9   4.227  -4.424  -7.497
   74   HH22  ARG   9          HH22      ARG   9   3.279  -3.129  -8.155
   75    H    ILE  10           HN       ILE  10   6.381  -3.979  -0.646
   76    HA   ILE  10           HA       ILE  10   3.722  -4.945  -0.730
   77    HB   ILE  10           HB       ILE  10   5.698  -4.920   1.565
   78   HG12  ILE  10          HG12      ILE  10   4.949  -7.163  -0.323
   79   HG13  ILE  10          HG11      ILE  10   6.385  -6.164  -0.504
   80   HG21  ILE  10          HG21      ILE  10   3.153  -6.511   1.255
   81   HG22  ILE  10          HG22      ILE  10   3.411  -5.181   2.383
   82   HG23  ILE  10          HG23      ILE  10   4.324  -6.680   2.564
   83   HD11  ILE  10          HD11      ILE  10   5.768  -7.976   1.817
   84   HD12  ILE  10          HD12      ILE  10   7.203  -6.964   1.657
   85   HD13  ILE  10          HD13      ILE  10   6.926  -8.286   0.524
   86    H    LEU  11           HN       LEU  11   5.277  -2.253   0.834
   87    HA   LEU  11           HA       LEU  11   3.129  -1.495   2.535
   88    HB2  LEU  11           HB2      LEU  11   5.537  -0.840   2.797
   89    HB3  LEU  11           HB1      LEU  11   5.365   0.205   1.408
   90    HG   LEU  11           HG       LEU  11   3.673   0.582   3.872
   91   HD11  LEU  11          HD11      LEU  11   5.324   2.260   4.587
   92   HD12  LEU  11          HD12      LEU  11   6.398   1.737   3.289
   93   HD13  LEU  11          HD13      LEU  11   5.985   0.625   4.595
   94   HD21  LEU  11          HD21      LEU  11   4.559   2.464   1.680
   95   HD22  LEU  11          HD22      LEU  11   3.540   2.886   3.057
   96   HD23  LEU  11          HD23      LEU  11   2.953   1.750   1.840
   97    H    SER  12           HN       SER  12   4.226  -0.382  -0.674
   98    HA   SER  12           HA       SER  12   2.159   1.561  -0.914
   99    HB2  SER  12           HB2      SER  12   2.924   1.650  -3.316
  100    HB3  SER  12           HB1      SER  12   4.185   1.934  -2.117
  101    HG   SER  12           HG       SER  12   5.201   0.377  -3.080
  102    H    ILE  13           HN       ILE  13   2.548  -1.765  -2.017
  103    HA   ILE  13           HA       ILE  13   0.163  -1.856  -3.530
  104    HB   ILE  13           HB       ILE  13   1.794  -4.033  -2.236
  105   HG12  ILE  13          HG12      ILE  13   1.357  -3.235  -5.123
  106   HG13  ILE  13          HG11      ILE  13   2.779  -2.845  -4.163
  107   HG21  ILE  13          HG21      ILE  13  -0.514  -4.800  -2.301
  108   HG22  ILE  13          HG22      ILE  13   0.462  -5.660  -3.494
  109   HG23  ILE  13          HG23      ILE  13  -0.624  -4.368  -4.007
  110   HD11  ILE  13          HD11      ILE  13   1.874  -5.605  -4.936
  111   HD12  ILE  13          HD12      ILE  13   3.299  -5.218  -3.973
  112   HD13  ILE  13          HD13      ILE  13   3.206  -4.702  -5.656
  113    H    LEU  14           HN       LEU  14   0.872  -2.402  -0.125
  114    HA   LEU  14           HA       LEU  14  -1.673  -3.247   0.693
  115    HB2  LEU  14           HB2      LEU  14   0.165  -3.327   2.242
  116    HB3  LEU  14           HB1      LEU  14   0.415  -1.596   2.114
  117    HG   LEU  14           HG       LEU  14  -1.794  -1.235   3.194
  118   HD11  LEU  14          HD11      LEU  14  -1.718  -4.215   3.624
  119   HD12  LEU  14          HD12      LEU  14  -2.847  -3.346   2.588
  120   HD13  LEU  14          HD13      LEU  14  -2.880  -3.095   4.333
  121   HD21  LEU  14          HD21      LEU  14   0.165  -2.904   4.764
  122   HD22  LEU  14          HD22      LEU  14  -1.063  -1.839   5.447
  123   HD23  LEU  14          HD23      LEU  14   0.262  -1.163   4.497
  124    H    ARG  15           HN       ARG  15  -0.313  -0.014   0.235
  125    HA   ARG  15           HA       ARG  15  -2.597   1.421   1.016
  126    HB2  ARG  15           HB2      ARG  15  -0.360   2.436   0.755
  127    HB3  ARG  15           HB1      ARG  15  -0.482   2.226  -0.987
  128    HG2  ARG  15           HG2      ARG  15  -2.379   3.729  -1.063
  129    HG3  ARG  15           HG1      ARG  15  -2.332   3.903   0.691
  130    HD2  ARG  15           HD2      ARG  15  -0.067   4.857   0.509
  131    HD3  ARG  15           HD1      ARG  15  -0.181   4.736  -1.246
  132    HE   ARG  15           HE       ARG  15  -2.312   6.243   0.003
  133   HH11  ARG  15          HH11      ARG  15   0.884   6.368  -1.427
  134   HH12  ARG  15          HH12      ARG  15   0.778   8.052  -1.831
  135   HH21  ARG  15          HH21      ARG  15  -2.445   8.467  -0.505
  136   HH22  ARG  15          HH22      ARG  15  -1.118   9.248  -1.303
  137    H    HIS  16           HN       HIS  16  -1.683  -0.119  -1.983
  138    HA   HIS  16           HA       HIS  16  -3.762   1.027  -3.559
  139    HB2  HIS  16           HB2      HIS  16  -2.169  -1.507  -3.959
  140    HB3  HIS  16           HB1      HIS  16  -3.322  -0.877  -5.126
  141    HD1  HIS  16           HD1      HIS  16  -0.786  -1.105  -6.390
  142    HD2  HIS  16           HD2      HIS  16  -1.573   2.165  -3.940
  143    HE1  HIS  16           HE1      HIS  16   0.880   0.656  -7.061
  144    HE2  HIS  16           HE2      HIS  16   0.449   2.593  -5.506
  145    H    GLN  17           HN       GLN  17  -3.535  -1.773  -1.472
  146    HA   GLN  17           HA       GLN  17  -5.981  -2.963  -2.293
  147    HB2  GLN  17           HB2      GLN  17  -4.448  -3.239   0.300
  148    HB3  GLN  17           HB1      GLN  17  -5.835  -4.222  -0.143
  149    HG2  GLN  17           HG2      GLN  17  -3.119  -4.166  -1.431
  150    HG3  GLN  17           HG1      GLN  17  -3.916  -5.511  -0.615
  151   HE21  GLN  17          HE21      GLN  17  -2.811  -5.340  -3.310
  152   HE22  GLN  17          HE22      GLN  17  -4.108  -5.730  -4.384
  153    H    ASN  18           HN       ASN  18  -5.082  -0.601   0.136
  154    HA   ASN  18           HA       ASN  18  -7.600  -0.275   1.348
  155    HB2  ASN  18           HB2      ASN  18  -5.665   0.708   2.383
  156    HB3  ASN  18           HB1      ASN  18  -5.294   1.637   0.936
  157   HD21  ASN  18          HD21      ASN  18  -5.328   3.617   1.905
  158   HD22  ASN  18          HD22      ASN  18  -6.763   4.340   2.532
  159    H    LEU  19           HN       LEU  19  -6.157   1.160  -1.526
  160    HA   LEU  19           HA       LEU  19  -8.465   2.822  -2.034
  161    HB2  LEU  19           HB2      LEU  19  -6.042   2.293  -3.748
  162    HB3  LEU  19           HB1      LEU  19  -7.242   3.538  -4.028
  163    HG   LEU  19           HG       LEU  19  -5.408   3.403  -1.634
  164   HD11  LEU  19          HD11      LEU  19  -4.169   3.912  -3.652
  165   HD12  LEU  19          HD12      LEU  19  -4.315   5.351  -2.644
  166   HD13  LEU  19          HD13      LEU  19  -5.331   5.169  -4.073
  167   HD21  LEU  19          HD21      LEU  19  -7.543   4.471  -1.135
  168   HD22  LEU  19          HD22      LEU  19  -7.341   5.537  -2.525
  169   HD23  LEU  19          HD23      LEU  19  -6.234   5.651  -1.157
  170    H    LEU  20           HN       LEU  20  -7.993  -0.354  -2.332
  171    HA   LEU  20           HA       LEU  20  -9.567  -0.611  -4.799
  172    HB2  LEU  20           HB2      LEU  20  -7.479  -1.937  -4.656
  173    HB3  LEU  20           HB1      LEU  20  -8.086  -2.719  -3.212
  174    HG   LEU  20           HG       LEU  20  -9.895  -3.743  -4.519
  175   HD11  LEU  20          HD11      LEU  20  -8.559  -2.463  -6.896
  176   HD12  LEU  20          HD12      LEU  20 -10.131  -2.021  -6.233
  177   HD13  LEU  20          HD13      LEU  20  -9.893  -3.615  -6.949
  178   HD21  LEU  20          HD21      LEU  20  -8.505  -5.301  -5.798
  179   HD22  LEU  20          HD22      LEU  20  -7.813  -4.956  -4.215
  180   HD23  LEU  20          HD23      LEU  20  -7.141  -4.195  -5.656
  181    H    LYS  21           HN       LYS  21 -10.013  -0.154  -1.650
  182    HA   LYS  21           HA       LYS  21 -12.236  -2.052  -1.370
  183    HB2  LYS  21           HB2      LYS  21 -10.494  -2.077   0.406
  184    HB3  LYS  21           HB1      LYS  21 -10.857  -0.394   0.754
  185    HG2  LYS  21           HG2      LYS  21 -13.097  -0.981   1.442
  186    HG3  LYS  21           HG1      LYS  21 -12.815  -2.666   1.008
  187    HD2  LYS  21           HD2      LYS  21 -11.319  -1.128   3.125
  188    HD3  LYS  21           HD1      LYS  21 -12.615  -2.283   3.426
  189    HE2  LYS  21           HE2      LYS  21 -11.238  -4.031   2.319
  190    HE3  LYS  21           HE1      LYS  21  -9.927  -2.860   2.182
  191    HZ1  LYS  21           HZ1      LYS  21  -9.931  -2.663   4.603
  192    HZ2  LYS  21           HZ2      LYS  21  -9.621  -4.248   4.110
  193    HZ3  LYS  21           HZ3      LYS  21 -11.147  -3.832   4.707
  194    H    GLU  22           HN       GLU  22 -13.957  -1.075  -2.310
  195    HA   GLU  22           HA       GLU  22 -14.452   1.755  -1.888
  196    HB2  GLU  22           HB2      GLU  22 -15.933  -0.345  -3.478
  197    HB3  GLU  22           HB1      GLU  22 -16.451   1.330  -3.357
  198    HG2  GLU  22           HG2      GLU  22 -13.845   0.368  -4.509
  199    HG3  GLU  22           HG1      GLU  22 -15.247   0.919  -5.425
  200    H    LEU  23           HN       LEU  23 -14.516   0.720   0.521
  201    HA   LEU  23           HA       LEU  23 -17.364   0.314   1.149
  202    HB2  LEU  23           HB2      LEU  23 -14.930  -0.443   2.767
  203    HB3  LEU  23           HB1      LEU  23 -16.588  -0.647   3.294
  204    HG   LEU  23           HG       LEU  23 -15.255  -2.062   0.986
  205   HD11  LEU  23          HD11      LEU  23 -16.270  -3.074   3.636
  206   HD12  LEU  23          HD12      LEU  23 -14.581  -2.896   3.170
  207   HD13  LEU  23          HD13      LEU  23 -15.606  -4.066   2.341
  208   HD21  LEU  23          HD21      LEU  23 -17.346  -3.322   0.787
  209   HD22  LEU  23          HD22      LEU  23 -17.583  -1.607   0.452
  210   HD23  LEU  23          HD23      LEU  23 -18.085  -2.281   2.004
  211    H    GLN  24           HN       GLN  24 -17.796   2.528   1.067
  212    HA   GLN  24           HA       GLN  24 -16.718   4.057   3.343
  213    HB2  GLN  24           HB2      GLN  24 -17.431   5.050   0.576
  214    HB3  GLN  24           HB1      GLN  24 -17.060   6.102   1.934
  215    HG2  GLN  24           HG2      GLN  24 -15.165   4.047   0.820
  216    HG3  GLN  24           HG1      GLN  24 -15.174   5.748   0.359
  217   HE21  GLN  24          HE21      GLN  24 -14.481   3.463   2.894
  218   HE22  GLN  24          HE22      GLN  24 -13.570   4.546   3.888
  219    H    ASP  25           HN       ASP  25 -18.970   2.436   3.526
  220    HA   ASP  25           HA       ASP  25 -21.308   4.132   3.198
  221    HB2  ASP  25           HB2      ASP  25 -21.008   1.301   4.217
  222    HB3  ASP  25           HB1      ASP  25 -22.542   2.158   4.158
  Start of MODEL   15
    1    H1   PHE   1           HT1      PHE   1  11.161  12.096   2.674
    2    H2   PHE   1           HT2      PHE   1  10.279  10.940   1.810
    3    H3   PHE   1           HT3      PHE   1  11.413  11.902   1.015
    4    HA   PHE   1           HA       PHE   1  13.201  10.908   2.219
    5    HB2  PHE   1           HB2      PHE   1  12.816   9.034   3.737
    6    HB3  PHE   1           HB1      PHE   1  11.936  10.449   4.299
    7    HD1  PHE   1           HD1      PHE   1  11.719   7.002   3.444
    8    HD2  PHE   1           HD2      PHE   1   9.451  10.589   3.721
    9    HE1  PHE   1           HE1      PHE   1   9.648   5.681   3.514
   10    HE2  PHE   1           HE2      PHE   1   7.375   9.276   3.799
   11    HZ   PHE   1           HZ       PHE   1   7.492   6.786   3.743
   12    H    GLU   2           HN       GLU   2  14.193   8.917   1.503
   13    HA   GLU   2           HA       GLU   2  12.650   7.414  -0.474
   14    HB2  GLU   2           HB2      GLU   2  14.624   7.551  -2.041
   15    HB3  GLU   2           HB1      GLU   2  13.729   9.050  -1.841
   16    HG2  GLU   2           HG2      GLU   2  15.432   9.843  -0.271
   17    HG3  GLU   2           HG1      GLU   2  16.334   8.349  -0.505
   18    H    THR   3           HN       THR   3  12.688   5.853   1.251
   19    HA   THR   3           HA       THR   3  15.295   4.536   1.576
   20    HB   THR   3           HB       THR   3  14.208   3.486   3.619
   21    HG1  THR   3           HG1      THR   3  12.498   5.396   4.195
   22   HG21  THR   3          HG21      THR   3  14.596   6.478   3.584
   23   HG22  THR   3          HG22      THR   3  15.860   5.267   3.798
   24   HG23  THR   3          HG23      THR   3  14.604   5.457   5.022
   25    H    LEU   4           HN       LEU   4  14.445   3.749  -0.680
   26    HA   LEU   4           HA       LEU   4  12.388   1.782  -0.702
   27    HB2  LEU   4           HB2      LEU   4  12.967   2.991  -2.717
   28    HB3  LEU   4           HB1      LEU   4  14.599   2.359  -2.669
   29    HG   LEU   4           HG       LEU   4  13.714   0.093  -3.085
   30   HD11  LEU   4          HD11      LEU   4  11.067   1.515  -3.319
   31   HD12  LEU   4          HD12      LEU   4  11.514   0.314  -2.109
   32   HD13  LEU   4          HD13      LEU   4  11.370  -0.152  -3.802
   33   HD21  LEU   4          HD21      LEU   4  13.096   0.458  -5.420
   34   HD22  LEU   4          HD22      LEU   4  14.452   1.480  -4.945
   35   HD23  LEU   4          HD23      LEU   4  12.834   2.168  -5.084
   36    H    ARG   5           HN       ARG   5  12.819   0.328   0.892
   37    HA   ARG   5           HA       ARG   5  15.246  -1.305   0.636
   38    HB2  ARG   5           HB2      ARG   5  13.367  -0.871   2.952
   39    HB3  ARG   5           HB1      ARG   5  14.686  -2.030   2.965
   40    HG2  ARG   5           HG2      ARG   5  16.309  -0.395   3.026
   41    HG3  ARG   5           HG1      ARG   5  15.245   0.828   2.329
   42    HD2  ARG   5           HD2      ARG   5  14.856  -0.362   5.067
   43    HD3  ARG   5           HD1      ARG   5  15.752   1.129   4.767
   44    HE   ARG   5           HE       ARG   5  13.359   1.563   3.548
   45   HH11  ARG   5          HH11      ARG   5  14.263   0.571   6.786
   46   HH12  ARG   5          HH12      ARG   5  12.901   1.338   7.538
   47   HH21  ARG   5          HH21      ARG   5  11.570   2.583   4.537
   48   HH22  ARG   5          HH22      ARG   5  11.368   2.484   6.257
   49    H    GLY   6           HN       GLY   6  12.927  -1.620  -1.058
   50    HA2  GLY   6           HA2      GLY   6  12.039  -3.513  -2.075
   51    HA3  GLY   6           HA1      GLY   6  12.618  -4.472  -0.723
   52    H    ASP   7           HN       ASP   7  11.411  -3.584   1.425
   53    HA   ASP   7           HA       ASP   7   8.853  -4.697   1.212
   54    HB2  ASP   7           HB2      ASP   7  10.112  -3.078   3.419
   55    HB3  ASP   7           HB1      ASP   7   8.519  -3.812   3.556
   56    H    GLU   8           HN       GLU   8   9.889  -1.505   0.616
   57    HA   GLU   8           HA       GLU   8   7.579  -0.039   1.154
   58    HB2  GLU   8           HB2      GLU   8   9.774   0.933   0.486
   59    HB3  GLU   8           HB1      GLU   8   9.482   0.379  -1.155
   60    HG2  GLU   8           HG2      GLU   8   7.538   1.813  -1.317
   61    HG3  GLU   8           HG1      GLU   8   7.761   2.331   0.353
   62    H    ARG   9           HN       ARG   9   8.356  -2.233  -1.455
   63    HA   ARG   9           HA       ARG   9   6.218  -1.564  -3.180
   64    HB2  ARG   9           HB2      ARG   9   7.898  -4.021  -2.815
   65    HB3  ARG   9           HB1      ARG   9   6.524  -4.038  -3.909
   66    HG2  ARG   9           HG2      ARG   9   8.789  -2.066  -4.089
   67    HG3  ARG   9           HG1      ARG   9   8.710  -3.576  -4.999
   68    HD2  ARG   9           HD2      ARG   9   6.753  -1.281  -5.136
   69    HD3  ARG   9           HD1      ARG   9   7.927  -1.738  -6.370
   70    HE   ARG   9           HE       ARG   9   6.448  -3.989  -6.052
   71   HH11  ARG   9          HH11      ARG   9   5.642  -0.649  -6.749
   72   HH12  ARG   9          HH12      ARG   9   4.194  -1.052  -7.617
   73   HH21  ARG   9          HH21      ARG   9   4.546  -4.514  -7.199
   74   HH22  ARG   9          HH22      ARG   9   3.573  -3.244  -7.876
   75    H    ILE  10           HN       ILE  10   6.496  -3.877  -0.526
   76    HA   ILE  10           HA       ILE  10   3.882  -4.931  -0.730
   77    HB   ILE  10           HB       ILE  10   5.678  -4.680   1.695
   78   HG12  ILE  10          HG12      ILE  10   5.084  -7.055  -0.086
   79   HG13  ILE  10          HG11      ILE  10   6.562  -6.102  -0.136
   80   HG21  ILE  10          HG21      ILE  10   3.160  -6.312   1.358
   81   HG22  ILE  10          HG22      ILE  10   3.343  -4.885   2.378
   82   HG23  ILE  10          HG23      ILE  10   4.241  -6.356   2.752
   83   HD11  ILE  10          HD11      ILE  10   7.093  -6.785   2.136
   84   HD12  ILE  10          HD12      ILE  10   6.866  -8.186   1.086
   85   HD13  ILE  10          HD13      ILE  10   5.595  -7.713   2.212
   86    H    LEU  11           HN       LEU  11   5.257  -2.239   1.081
   87    HA   LEU  11           HA       LEU  11   2.968  -1.505   2.521
   88    HB2  LEU  11           HB2      LEU  11   5.356  -0.751   2.883
   89    HB3  LEU  11           HB1      LEU  11   5.142   0.345   1.537
   90    HG   LEU  11           HG       LEU  11   3.313   0.490   3.916
   91   HD11  LEU  11          HD11      LEU  11   5.590   0.579   4.788
   92   HD12  LEU  11          HD12      LEU  11   4.814   2.161   4.882
   93   HD13  LEU  11          HD13      LEU  11   5.998   1.832   3.616
   94   HD21  LEU  11          HD21      LEU  11   3.128   2.826   3.221
   95   HD22  LEU  11          HD22      LEU  11   2.699   1.741   1.900
   96   HD23  LEU  11          HD23      LEU  11   4.273   2.536   1.912
   97    H    SER  12           HN       SER  12   4.147  -0.465  -0.664
   98    HA   SER  12           HA       SER  12   2.067   1.447  -1.014
   99    HB2  SER  12           HB2      SER  12   2.892   1.444  -3.414
  100    HB3  SER  12           HB1      SER  12   4.064   1.886  -2.178
  101    HG   SER  12           HG       SER  12   5.075  -0.025  -2.412
  102    H    ILE  13           HN       ILE  13   2.517  -1.909  -2.036
  103    HA   ILE  13           HA       ILE  13   0.170  -2.038  -3.606
  104    HB   ILE  13           HB       ILE  13   1.674  -4.208  -2.143
  105   HG12  ILE  13          HG12      ILE  13   1.469  -3.502  -5.080
  106   HG13  ILE  13          HG11      ILE  13   2.839  -3.136  -4.037
  107   HG21  ILE  13          HG21      ILE  13  -0.631  -4.924  -2.327
  108   HG22  ILE  13          HG22      ILE  13   0.360  -5.819  -3.480
  109   HG23  ILE  13          HG23      ILE  13  -0.658  -4.491  -4.036
  110   HD11  ILE  13          HD11      ILE  13   3.247  -5.518  -3.732
  111   HD12  ILE  13          HD12      ILE  13   3.275  -5.071  -5.438
  112   HD13  ILE  13          HD13      ILE  13   1.866  -5.889  -4.764
  113    H    LEU  14           HN       LEU  14   0.803  -2.623  -0.182
  114    HA   LEU  14           HA       LEU  14  -1.810  -3.339   0.552
  115    HB2  LEU  14           HB2      LEU  14   0.145  -3.624   2.015
  116    HB3  LEU  14           HB1      LEU  14   0.287  -1.884   2.166
  117    HG   LEU  14           HG       LEU  14  -1.942  -1.839   3.265
  118   HD11  LEU  14          HD11      LEU  14  -1.672  -4.836   3.132
  119   HD12  LEU  14          HD12      LEU  14  -2.907  -3.848   2.350
  120   HD13  LEU  14          HD13      LEU  14  -2.856  -3.968   4.108
  121   HD21  LEU  14          HD21      LEU  14  -1.174  -2.742   5.395
  122   HD22  LEU  14          HD22      LEU  14   0.114  -1.861   4.577
  123   HD23  LEU  14          HD23      LEU  14   0.109  -3.623   4.566
  124    H    ARG  15           HN       ARG  15  -0.252  -0.201   0.127
  125    HA   ARG  15           HA       ARG  15  -2.418   1.378   1.000
  126    HB2  ARG  15           HB2      ARG  15  -0.204   2.345   0.675
  127    HB3  ARG  15           HB1      ARG  15  -0.288   2.009  -1.048
  128    HG2  ARG  15           HG2      ARG  15  -2.183   3.543  -1.253
  129    HG3  ARG  15           HG1      ARG  15  -2.078   3.893   0.472
  130    HD2  ARG  15           HD2      ARG  15   0.192   4.764   0.143
  131    HD3  ARG  15           HD1      ARG  15   0.061   4.433  -1.584
  132    HE   ARG  15           HE       ARG  15  -2.021   6.141  -0.521
  133   HH11  ARG  15          HH11      ARG  15   1.149   5.979  -2.000
  134   HH12  ARG  15          HH12      ARG  15   1.114   7.621  -2.562
  135   HH21  ARG  15          HH21      ARG  15  -2.074   8.305  -1.262
  136   HH22  ARG  15          HH22      ARG  15  -0.729   8.937  -2.158
  137    H    HIS  16           HN       HIS  16  -1.655  -0.138  -2.070
  138    HA   HIS  16           HA       HIS  16  -3.716   1.091  -3.575
  139    HB2  HIS  16           HB2      HIS  16  -2.355  -1.577  -3.996
  140    HB3  HIS  16           HB1      HIS  16  -3.426  -0.809  -5.159
  141    HD1  HIS  16           HD1      HIS  16  -0.612  -1.436  -6.045
  142    HD2  HIS  16           HD2      HIS  16  -1.668   2.167  -4.262
  143    HE1  HIS  16           HE1      HIS  16   1.163   0.205  -6.736
  144    HE2  HIS  16           HE2      HIS  16   0.565   2.350  -5.555
  145    H    GLN  17           HN       GLN  17  -3.630  -1.591  -1.376
  146    HA   GLN  17           HA       GLN  17  -6.223  -2.597  -2.012
  147    HB2  GLN  17           HB2      GLN  17  -4.518  -2.924   0.465
  148    HB3  GLN  17           HB1      GLN  17  -6.039  -3.765   0.198
  149    HG2  GLN  17           HG2      GLN  17  -3.525  -4.029  -1.441
  150    HG3  GLN  17           HG1      GLN  17  -4.212  -5.227  -0.344
  151   HE21  GLN  17          HE21      GLN  17  -3.617  -5.328  -3.235
  152   HE22  GLN  17          HE22      GLN  17  -5.105  -5.777  -3.993
  153    H    ASN  18           HN       ASN  18  -4.957  -0.131   0.130
  154    HA   ASN  18           HA       ASN  18  -7.349   0.337   1.565
  155    HB2  ASN  18           HB2      ASN  18  -5.250   1.211   2.414
  156    HB3  ASN  18           HB1      ASN  18  -5.032   2.195   0.973
  157   HD21  ASN  18          HD21      ASN  18  -6.024   4.176   0.859
  158   HD22  ASN  18          HD22      ASN  18  -6.973   4.840   2.138
  159    H    LEU  19           HN       LEU  19  -6.114   1.494  -1.495
  160    HA   LEU  19           HA       LEU  19  -8.247   3.353  -1.955
  161    HB2  LEU  19           HB2      LEU  19  -6.239   2.129  -3.845
  162    HB3  LEU  19           HB1      LEU  19  -7.352   3.413  -4.272
  163    HG   LEU  19           HG       LEU  19  -5.185   3.631  -2.179
  164   HD11  LEU  19          HD11      LEU  19  -4.265   3.456  -4.430
  165   HD12  LEU  19          HD12      LEU  19  -4.065   5.083  -3.785
  166   HD13  LEU  19          HD13      LEU  19  -5.328   4.754  -4.971
  167   HD21  LEU  19          HD21      LEU  19  -7.040   5.702  -3.347
  168   HD22  LEU  19          HD22      LEU  19  -5.714   6.022  -2.229
  169   HD23  LEU  19          HD23      LEU  19  -7.100   5.065  -1.704
  170    H    LEU  20           HN       LEU  20  -7.974  -0.005  -2.128
  171    HA   LEU  20           HA       LEU  20 -10.022  -0.329  -4.170
  172    HB2  LEU  20           HB2      LEU  20  -8.077  -1.861  -4.076
  173    HB3  LEU  20           HB1      LEU  20  -8.577  -2.378  -2.478
  174    HG   LEU  20           HG       LEU  20 -10.712  -3.216  -3.506
  175   HD11  LEU  20          HD11      LEU  20  -9.227  -2.687  -6.074
  176   HD12  LEU  20          HD12      LEU  20 -10.689  -1.866  -5.528
  177   HD13  LEU  20          HD13      LEU  20 -10.736  -3.584  -5.919
  178   HD21  LEU  20          HD21      LEU  20  -8.865  -4.706  -2.947
  179   HD22  LEU  20          HD22      LEU  20  -8.139  -4.409  -4.526
  180   HD23  LEU  20          HD23      LEU  20  -9.691  -5.237  -4.411
  181    H    LYS  21           HN       LYS  21  -9.756   0.086  -0.839
  182    HA   LYS  21           HA       LYS  21 -12.138  -1.424  -0.160
  183    HB2  LYS  21           HB2      LYS  21 -10.144  -1.431   1.325
  184    HB3  LYS  21           HB1      LYS  21 -10.367   0.292   1.590
  185    HG2  LYS  21           HG2      LYS  21 -12.497  -0.110   2.650
  186    HG3  LYS  21           HG1      LYS  21 -12.367  -1.834   2.303
  187    HD2  LYS  21           HD2      LYS  21 -10.337  -1.936   3.693
  188    HD3  LYS  21           HD1      LYS  21 -10.541  -0.226   4.084
  189    HE2  LYS  21           HE2      LYS  21 -11.415  -1.650   5.866
  190    HE3  LYS  21           HE1      LYS  21 -12.705  -0.714   5.110
  191    HZ1  LYS  21           HZ1      LYS  21 -13.296  -2.672   3.807
  192    HZ2  LYS  21           HZ2      LYS  21 -13.384  -2.994   5.462
  193    HZ3  LYS  21           HZ3      LYS  21 -12.074  -3.563   4.562
  194    H    GLU  22           HN       GLU  22 -13.934  -0.445  -0.852
  195    HA   GLU  22           HA       GLU  22 -14.261   2.391  -0.922
  196    HB2  GLU  22           HB2      GLU  22 -15.392   0.835  -2.492
  197    HB3  GLU  22           HB1      GLU  22 -16.362   0.234  -1.156
  198    HG2  GLU  22           HG2      GLU  22 -17.226   2.547  -0.838
  199    HG3  GLU  22           HG1      GLU  22 -16.377   3.006  -2.314
  200    H    LEU  23           HN       LEU  23 -15.324  -0.195   1.231
  201    HA   LEU  23           HA       LEU  23 -16.925   1.489   2.882
  202    HB2  LEU  23           HB2      LEU  23 -17.313  -0.914   2.796
  203    HB3  LEU  23           HB1      LEU  23 -15.704  -1.218   3.423
  204    HG   LEU  23           HG       LEU  23 -16.347  -0.110   5.545
  205   HD11  LEU  23          HD11      LEU  23 -19.089  -0.024   4.296
  206   HD12  LEU  23          HD12      LEU  23 -18.085   1.364   4.714
  207   HD13  LEU  23          HD13      LEU  23 -18.722   0.320   5.986
  208   HD21  LEU  23          HD21      LEU  23 -17.780  -1.910   6.357
  209   HD22  LEU  23          HD22      LEU  23 -16.499  -2.531   5.317
  210   HD23  LEU  23          HD23      LEU  23 -18.141  -2.377   4.695
  211    H    GLN  24           HN       GLN  24 -16.061   3.112   3.973
  212    HA   GLN  24           HA       GLN  24 -13.580   2.613   5.472
  213    HB2  GLN  24           HB2      GLN  24 -14.390   5.178   4.085
  214    HB3  GLN  24           HB1      GLN  24 -12.969   4.978   5.103
  215    HG2  GLN  24           HG2      GLN  24 -12.087   3.325   3.530
  216    HG3  GLN  24           HG1      GLN  24 -13.501   3.551   2.506
  217   HE21  GLN  24          HE21      GLN  24 -10.542   4.950   3.659
  218   HE22  GLN  24          HE22      GLN  24 -10.459   6.224   2.492
  219    H    ASP  25           HN       ASP  25 -13.365   4.410   7.234
  220    HA   ASP  25           HA       ASP  25 -16.020   4.795   8.451
  221    HB2  ASP  25           HB2      ASP  25 -13.408   4.136   9.832
  222    HB3  ASP  25           HB1      ASP  25 -14.887   4.593  10.666