*HEADER    ANTIBIOTIC                              27-OCT-04   1XV3              
*TITLE     NMR STRUCTURE OF THE SYNTHETIC PENAEIDIN 4                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PENAEIDIN-4D;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PEN-4D;                                                     
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE MOLECULE HAS BEEN SYNTHESIZED BY USING            
*SOURCE   4 THE NATIVE LIGATION METHODOLOGY                                      
*KEYWDS    ANTIMICROBIAL PEPTIDE, ANTIFUNGAL PEPTIDE, CYSTEINE-RICH,             
*KEYWDS   2 DISULFIDE BOND, NMR, OXIDATIVE FOLDING, PENAEIDIN, PROLINE-          
*KEYWDS   3 RICH, SHRIMP                                                         
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    B.CUTHBERTSON, Y.YANG, E.BULLESBACH, E.BACHERE, P.GROSS,              
*AUTHOR   2 A.AUMELAS                                                            
*REVDAT   1   15-FEB-05 1XV3    0                                                

  Entry H atom name         Submitted Coord H atom name
REStraints DIHEdral reset
!!   32
 assign (resid  31 and name c )   (resid  32 and name n) 
        (resid  32 and name ca)   (resid  32 and name c)   1.0 -57.0  30.0 2
!!   33
 assign (resid  32 and name c )   (resid  33 and name n) 
        (resid  33 and name ca)   (resid  33 and name c)   1.0 -57.0  30.0 2
!!   34
 assign (resid  33 and name c )   (resid  34 and name n) 
        (resid  34 and name ca)   (resid  34 and name c)   1.0 -57.0  30.0 2
!!   35
 assign (resid  34 and name c )   (resid  35 and name n) 
        (resid  35 and name ca)   (resid  35 and name c)   1.0 -57.0  30.0 2
!!   36
 assign (resid  35 and name c )   (resid  36 and name n) 
        (resid  36 and name ca)   (resid  36 and name c)   1.0 -57.0  30.0 2
!!   37
 assign (resid  36 and name c )   (resid  37 and name n) 
        (resid  37 and name ca)   (resid  37 and name c)   1.0 -57.0  30.0 2
!!   38
 assign (resid  37 and name c )   (resid  38 and name n) 
        (resid  38 and name ca)   (resid  38 and name c)   1.0 -57.0  30.0 2
!!   39
 assign (resid  38 and name c )   (resid  39 and name n) 
        (resid  39 and name ca)   (resid  39 and name c)   1.0 -57.0  30.0 2
!!25
 assign (resid  25 and name n )   (resid  25 and name ca) 
        (resid  25 and name cb)   (resid  25 and name cg1)   1.0 180.0  30.0 2
!!38
 assign (resid  38 and name n )   (resid  38 and name ca) 
        (resid  38 and name cb)   (resid  38 and name sg)   1.0 180.0  30.0 2
!!44
 assign (resid  44 and name n )   (resid  44 and name ca) 
        (resid  44 and name cb)   (resid  44 and name sg)   1.0 -60.0  30.0 2
!!45
 assign (resid  45 and name n )   (resid  45 and name ca) 
        (resid  45 and name cb)   (resid  45 and name sg)   1.0 -60.0  30.0 2
!!43
 assign (resid  43 and name n )   (resid  43 and name ca) 
        (resid  43 and name cb)   (resid  43 and name cg)   1.0 -60.0  30.0 2
!!26
 assign (resid  26 and name n )   (resid  26 and name ca) 
        (resid  26 and name cb)   (resid  26 and name sg)   5.0 -60.0  30.0 2
!!23
 assign (resid  23 and name n )   (resid  23 and name ca) 
        (resid  23 and name cb)   (resid  23 and name sg)   1.0 -60.0  40.0 2
!!41
 assign (resid  41 and name n )   (resid  41 and name ca) 
        (resid  41 and name cb)   (resid  41 and name cg)   1.0 -60.0  30.0 2
!!40
 assign (resid  40 and name n )   (resid  40 and name ca) 
        (resid  40 and name cb)   (resid  40 and name cg)   1.0 -120.0  30.0 2
!!33
 assign (resid  33 and name n )   (resid  33 and name ca) 
        (resid  33 and name cb)   (resid  33 and name cg2)   1.0 180.0  30.0 2
!!29
 assign (resid  29 and name n )   (resid  29 and name ca) 
        (resid  29 and name cb)   (resid  29 and name cg1)   1.0 60.0  30.0 2
!!37
 assign (resid  37 and name n )   (resid  37 and name ca) 
        (resid  37 and name cb)   (resid  37 and name sg)   1.0 -60.0  40.0 2
!!23
 assign (resid  23 and name n )   (resid  23 and name ca) 
        (resid  23 and name cb)   (resid  23 and name sg)   1.0 -80.0  30.0 2
!!38-45
 assign (resid  38 and name cb )   (resid  38 and name sg) 
        (resid  45 and name sg)   (resid  45 and name cb)   1.0 100.0  30.0 2
!!37-23
 assign (resid  23 and name cb )   (resid  23 and name sg) 
        (resid  37 and name sg)   (resid  37 and name cb)   1.0 -100.0  30.0 2
!!44-26
 assign (resid  26 and name cb )   (resid  26 and name sg) 
        (resid  44 and name sg)   (resid  44 and name cb)   1.0 -90.0  30.0 2
!!27
 assign (resid  27 and name n )   (resid  27 and name ca) 
        (resid  27 and name cb)   (resid  27 and name cg)   1.0 -60.0  30.0 2
end

  Start of MODEL    1
    1   1H    HIS   1           HT1      HIS   1  17.834  17.048   4.867
    2   2H    HIS   1           HT2      HIS   1  16.450  18.025   4.738
    3   3H    HIS   1           HT3      HIS   1  17.656  18.400   5.875
    4    HA   HIS   1           HA       HIS   1  17.931  18.530   2.911
    5   1HB   HIS   1          HB2       HIS   1  16.552  20.236   4.286
    6   2HB   HIS   1          HB1       HIS   1  18.097  20.730   4.980
    7    HD1  HIS   1           HD1      HIS   1  16.262  20.568   1.675
    8    HD2  HIS   1           HD2      HIS   1  19.725  22.258   3.268
    9    HE1  HIS   1           HE1      HIS   1  17.173  22.136  -0.093
   10    H    SER   2           HN       SER   2  20.051  19.048   2.188
   11    HA   SER   2           HA       SER   2  22.405  18.925   2.221
   12   1HB   SER   2          HB2       SER   2  21.686  21.026   3.592
   13   2HB   SER   2          HB1       SER   2  22.176  20.086   4.999
   14    HG   SER   2           HG       SER   2  24.223  20.133   4.334
   15    H    SER   3           HN       SER   3  21.770  16.472   2.568
   16    HA   SER   3           HA       SER   3  22.450  15.375   5.214
   17   1HB   SER   3          HB2       SER   3  21.668  14.272   2.511
   18   2HB   SER   3          HB1       SER   3  22.140  13.210   3.835
   19    HG   SER   3           HG       SER   3  19.783  14.104   3.439
   20    H    GLY   4           HN       GLY   4  24.195  13.717   5.408
   21   1HA   GLY   4          HA2       GLY   4  26.661  14.642   4.116
   22   2HA   GLY   4          HA1       GLY   4  26.553  13.432   5.393
   23    H    TYR   5           HN       TYR   5  26.186  11.237   4.817
   24    HA   TYR   5           HA       TYR   5  25.783  10.482   2.002
   25   1HB   TYR   5          HB2       TYR   5  28.310  11.145   2.699
   26   2HB   TYR   5          HB1       TYR   5  28.318   9.449   3.181
   27    HD1  TYR   5           HD1      TYR   5  27.911   7.663   1.525
   28    HD2  TYR   5           HD2      TYR   5  28.125  11.796   0.373
   29    HE1  TYR   5           HE1      TYR   5  28.165   6.989  -0.846
   30    HE2  TYR   5           HE2      TYR   5  28.379  11.122  -1.999
   31    HH   TYR   5           HH       TYR   5  29.282   8.948  -3.206
   32    H    THR   6           HN       THR   6  24.802   8.482   1.943
   33    HA   THR   6           HA       THR   6  25.242   6.538   4.152
   34    HB   THR   6           HB       THR   6  22.622   7.854   3.374
   35    HG1  THR   6           HG1      THR   6  22.936   8.836   5.185
   36   1HG2  THR   6          HG21      THR   6  21.679   6.229   5.141
   37   2HG2  THR   6          HG22      THR   6  23.138   5.279   4.861
   38   3HG2  THR   6          HG23      THR   6  22.009   5.574   3.538
   39    H    ARG   7           HN       ARG   7  25.263   4.453   3.327
   40    HA   ARG   7           HA       ARG   7  23.766   3.814   0.859
   41   1HB   ARG   7          HB2       ARG   7  26.333   4.758   0.688
   42   2HB   ARG   7          HB1       ARG   7  26.612   3.019   0.769
   43   1HG   ARG   7          HG2       ARG   7  26.350   3.457  -1.544
   44   2HG   ARG   7          HG1       ARG   7  24.781   2.826  -1.041
   45   1HD   ARG   7          HD2       ARG   7  23.727   4.816  -1.434
   46   2HD   ARG   7          HD1       ARG   7  25.066   5.761  -0.753
   47    HE   ARG   7           HE       ARG   7  25.026   4.639  -3.526
   48   1HH1  ARG   7          HH21      ARG   7  24.842   7.582  -3.157
   49   2HH1  ARG   7          HH22      ARG   7  26.491   8.091  -3.314
   50   1HH2  ARG   7          HH11      ARG   7  27.792   4.903  -2.833
   51   2HH2  ARG   7          HH12      ARG   7  28.165   6.569  -3.130
   52    HA   PRO   8           HA       PRO   8  24.174   0.353   3.939
   53   1HB   PRO   8          HB2       PRO   8  21.493  -0.045   4.295
   54   2HB   PRO   8          HB1       PRO   8  22.431   1.116   5.255
   55   1HG   PRO   8          HG2       PRO   8  20.593   1.594   2.975
   56   2HG   PRO   8          HG1       PRO   8  20.888   2.578   4.415
   57   1HD   PRO   8          HD2       PRO   8  21.929   3.105   1.917
   58   2HD   PRO   8          HD1       PRO   8  22.617   3.693   3.444
   59    H    LEU   9           HN       LEU   9  23.476  -1.907   3.583
   60    HA   LEU   9           HA       LEU   9  23.555  -2.755   0.859
   61   1HB   LEU   9          HB2       LEU   9  22.711  -4.062   3.459
   62   2HB   LEU   9          HB1       LEU   9  22.816  -4.960   1.945
   63    HG   LEU   9           HG       LEU   9  25.156  -3.291   2.810
   64   1HD1  LEU   9          HD11      LEU   9  26.045  -5.208   4.078
   65   2HD1  LEU   9          HD12      LEU   9  24.540  -6.089   3.811
   66   3HD1  LEU   9          HD13      LEU   9  24.543  -4.627   4.798
   67   1HD2  LEU   9          HD21      LEU   9  24.936  -5.970   1.401
   68   2HD2  LEU   9          HD22      LEU   9  26.387  -4.980   1.558
   69   3HD2  LEU   9          HD23      LEU   9  25.039  -4.417   0.571
   70    H    ARG  10           HN       ARG  10  21.886  -3.430  -0.564
   71    HA   ARG  10           HA       ARG  10  19.069  -3.098   0.368
   72   1HB   ARG  10          HB2       ARG  10  20.292  -1.106  -0.883
   73   2HB   ARG  10          HB1       ARG  10  19.935  -2.073  -2.314
   74   1HG   ARG  10          HG2       ARG  10  17.524  -2.207  -1.215
   75   2HG   ARG  10          HG1       ARG  10  18.049  -0.723  -0.419
   76   1HD   ARG  10          HD2       ARG  10  18.580   0.274  -2.630
   77   2HD   ARG  10          HD1       ARG  10  18.010  -1.211  -3.421
   78    HE   ARG  10           HE       ARG  10  15.782  -0.772  -2.286
   79   1HH1  ARG  10          HH21      ARG  10  17.150   1.599  -0.752
   80   2HH1  ARG  10          HH22      ARG  10  16.405   2.937  -1.560
   81   1HH2  ARG  10          HH11      ARG  10  15.219   1.017  -4.205
   82   2HH2  ARG  10          HH12      ARG  10  15.309   2.607  -3.523
   83    H    LYS  11           HN       LYS  11  17.685  -4.626  -0.485
   84    HA   LYS  11           HA       LYS  11  18.767  -6.879  -1.965
   85   1HB   LYS  11          HB2       LYS  11  16.236  -6.029  -0.661
   86   2HB   LYS  11          HB1       LYS  11  16.065  -7.210  -1.959
   87   1HG   LYS  11          HG2       LYS  11  17.020  -8.866  -0.736
   88   2HG   LYS  11          HG1       LYS  11  18.283  -7.801  -0.118
   89   1HD   LYS  11          HD2       LYS  11  17.024  -8.350   1.802
   90   2HD   LYS  11          HD1       LYS  11  16.416  -6.760   1.342
   91   1HE   LYS  11          HE2       LYS  11  14.338  -7.578   0.897
   92   2HE   LYS  11          HE1       LYS  11  14.993  -8.964   0.004
   93   1HZ   LYS  11          HZ1       LYS  11  15.080  -8.704   2.965
   94   2HZ   LYS  11          HZ2       LYS  11  15.522 -10.062   2.042
   95   3HZ   LYS  11          HZ3       LYS  11  13.895  -9.584   2.130
   96    HA   PRO  12           HA       PRO  12  17.716  -5.610  -6.044
   97   1HB   PRO  12          HB2       PRO  12  17.088  -8.002  -7.213
   98   2HB   PRO  12          HB1       PRO  12  18.744  -7.550  -6.766
   99   1HG   PRO  12          HG2       PRO  12  16.862  -9.395  -5.424
  100   2HG   PRO  12          HG1       PRO  12  18.627  -9.450  -5.521
  101   1HD   PRO  12          HD2       PRO  12  17.151  -8.583  -3.330
  102   2HD   PRO  12          HD1       PRO  12  18.870  -8.247  -3.616
  103    H    SER  13           HN       SER  13  15.842  -6.518  -7.830
  104    HA   SER  13           HA       SER  13  13.396  -5.322  -7.019
  105   1HB   SER  13          HB2       SER  13  14.182  -7.266  -9.198
  106   2HB   SER  13          HB1       SER  13  12.554  -6.604  -9.086
  107    HG   SER  13           HG       SER  13  13.845  -5.309 -10.418
  108    H    ARG  14           HN       ARG  14  11.736  -6.106  -5.787
  109    HA   ARG  14           HA       ARG  14  11.849  -8.819  -4.702
  110   1HB   ARG  14          HB2       ARG  14  10.035  -6.415  -4.425
  111   2HB   ARG  14          HB1       ARG  14   9.669  -7.941  -3.621
  112   1HG   ARG  14          HG2       ARG  14  12.381  -6.656  -3.333
  113   2HG   ARG  14          HG1       ARG  14  11.035  -6.172  -2.303
  114   1HD   ARG  14          HD2       ARG  14  11.274  -8.028  -1.025
  115   2HD   ARG  14          HD1       ARG  14  11.224  -9.076  -2.455
  116    HE   ARG  14           HE       ARG  14  13.691  -7.764  -1.394
  117   1HH1  ARG  14          HH21      ARG  14  13.476 -10.722  -1.284
  118   2HH1  ARG  14          HH22      ARG  14  14.287 -11.221  -2.731
  119   1HH2  ARG  14          HH11      ARG  14  14.154  -8.073  -4.201
  120   2HH2  ARG  14          HH12      ARG  14  14.677  -9.714  -4.386
  121    HA   PRO  15           HA       PRO  15   9.120 -10.711  -7.603
  122   1HB   PRO  15          HB2       PRO  15   7.986 -12.632  -6.018
  123   2HB   PRO  15          HB1       PRO  15   9.655 -12.730  -6.611
  124   1HG   PRO  15          HG2       PRO  15   8.641 -11.921  -3.935
  125   2HG   PRO  15          HG1       PRO  15  10.084 -12.854  -4.362
  126   1HD   PRO  15          HD2       PRO  15  10.130 -10.211  -3.667
  127   2HD   PRO  15          HD1       PRO  15  11.348 -10.985  -4.704
  128    H    ILE  16           HN       ILE  16   6.816 -10.975  -8.068
  129    HA   ILE  16           HA       ILE  16   5.160  -8.872  -6.964
  130    HB   ILE  16           HB       ILE  16   3.487  -9.774  -8.522
  131   1HG1  ILE  16          HG12      ILE  16   4.742 -11.888  -9.818
  132   2HG1  ILE  16          HG11      ILE  16   5.053 -12.219  -8.115
  133   1HG2  ILE  16          HG21      ILE  16   5.704  -8.573  -9.268
  134   2HG2  ILE  16          HG22      ILE  16   4.653  -9.299 -10.484
  135   3HG2  ILE  16          HG23      ILE  16   6.103 -10.150  -9.950
  136   1HD1  ILE  16          HD11      ILE  16   2.367 -11.795  -9.447
  137   2HD1  ILE  16          HD12      ILE  16   2.582 -11.822  -7.697
  138   3HD1  ILE  16          HD13      ILE  16   2.952 -13.257  -8.653
  139    H    PHE  17           HN       PHE  17   2.946  -9.317  -6.046
  140    HA   PHE  17           HA       PHE  17   2.447 -11.871  -4.711
  141   1HB   PHE  17          HB2       PHE  17   4.283 -10.644  -3.408
  142   2HB   PHE  17          HB1       PHE  17   3.060  -9.441  -3.005
  143    HD1  PHE  17           HD1      PHE  17   1.648  -9.775  -1.158
  144    HD2  PHE  17           HD2      PHE  17   3.702 -13.132  -2.884
  145    HE1  PHE  17           HE1      PHE  17   0.834 -11.220   0.684
  146    HE2  PHE  17           HE2      PHE  17   2.886 -14.577  -1.040
  147    HZ   PHE  17           HZ       PHE  17   1.453 -13.621   0.744
  148    H    ILE  18           HN       ILE  18   0.395 -11.740  -3.413
  149    HA   ILE  18           HA       ILE  18  -1.640 -10.192  -4.759
  150    HB   ILE  18           HB       ILE  18  -3.126 -11.243  -3.128
  151   1HG1  ILE  18          HG12      ILE  18  -0.582 -11.978  -1.643
  152   2HG1  ILE  18          HG11      ILE  18  -1.772 -10.793  -1.112
  153   1HG2  ILE  18          HG21      ILE  18  -1.794 -12.605  -4.945
  154   2HG2  ILE  18          HG22      ILE  18  -2.755 -13.460  -3.738
  155   3HG2  ILE  18          HG23      ILE  18  -1.007 -13.329  -3.542
  156   1HD1  ILE  18          HD11      ILE  18  -3.496 -12.678  -1.222
  157   2HD1  ILE  18          HD12      ILE  18  -2.297 -12.801   0.067
  158   3HD1  ILE  18          HD13      ILE  18  -2.131 -13.783  -1.389
  159    H    ARG  19           HN       ARG  19  -3.162  -8.729  -3.474
  160    HA   ARG  19           HA       ARG  19  -1.563  -6.695  -2.069
  161   1HB   ARG  19          HB2       ARG  19  -3.411  -5.272  -2.553
  162   2HB   ARG  19          HB1       ARG  19  -3.291  -6.340  -3.948
  163   1HG   ARG  19          HG2       ARG  19  -5.278  -7.369  -3.493
  164   2HG   ARG  19          HG1       ARG  19  -5.008  -7.346  -1.754
  165   1HD   ARG  19          HD2       ARG  19  -6.331  -5.523  -1.548
  166   2HD   ARG  19          HD1       ARG  19  -5.333  -4.635  -2.719
  167    HE   ARG  19           HE       ARG  19  -7.408  -6.598  -3.626
  168   1HH1  ARG  19          HH21      ARG  19  -5.265  -4.463  -4.907
  169   2HH1  ARG  19          HH22      ARG  19  -6.419  -3.470  -5.732
  170   1HH2  ARG  19          HH11      ARG  19  -9.167  -4.927  -4.179
  171   2HH2  ARG  19          HH12      ARG  19  -8.638  -3.739  -5.322
  172    HA   PRO  20           HA       PRO  20  -2.930  -7.639   1.993
  173   1HB   PRO  20          HB2       PRO  20  -3.399  -5.149   3.043
  174   2HB   PRO  20          HB1       PRO  20  -1.770  -5.798   2.756
  175   1HG   PRO  20          HG2       PRO  20  -3.354  -3.869   1.141
  176   2HG   PRO  20          HG1       PRO  20  -1.617  -3.905   1.473
  177   1HD   PRO  20          HD2       PRO  20  -2.716  -4.741  -0.877
  178   2HD   PRO  20          HD1       PRO  20  -1.190  -5.367  -0.229
  179    H    ILE  21           HN       ILE  21  -4.786  -7.311   3.552
  180    HA   ILE  21           HA       ILE  21  -7.329  -7.610   2.212
  181    HB   ILE  21           HB       ILE  21  -6.161  -7.715   4.948
  182   1HG1  ILE  21          HG12      ILE  21  -6.461  -9.665   3.394
  183   2HG1  ILE  21          HG11      ILE  21  -7.235  -9.870   4.960
  184   1HG2  ILE  21          HG21      ILE  21  -9.150  -7.403   4.527
  185   2HG2  ILE  21          HG22      ILE  21  -8.103  -6.250   5.354
  186   3HG2  ILE  21          HG23      ILE  21  -8.367  -7.852   6.041
  187   1HD1  ILE  21          HD11      ILE  21  -8.475 -10.197   2.502
  188   2HD1  ILE  21          HD12      ILE  21  -8.993  -8.587   3.002
  189   3HD1  ILE  21          HD13      ILE  21  -9.301  -9.975   4.044
  190    H    GLY  22           HN       GLY  22  -9.254  -6.302   2.837
  191   1HA   GLY  22          HA2       GLY  22 -10.174  -4.184   3.699
  192   2HA   GLY  22          HA1       GLY  22  -8.616  -3.436   3.362
  193    H    CYS  23           HN       CYS  23  -7.964  -3.818   0.912
  194    HA   CYS  23           HA       CYS  23  -9.919  -2.418  -0.704
  195   1HB   CYS  23          HB2       CYS  23  -7.266  -3.758  -1.155
  196   2HB   CYS  23          HB1       CYS  23  -8.151  -3.070  -2.503
  197    H    ASP  24           HN       ASP  24  -9.146  -5.797  -0.212
  198    HA   ASP  24           HA       ASP  24 -10.483  -6.793  -2.600
  199   1HB   ASP  24          HB2       ASP  24  -9.490  -7.999  -0.004
  200   2HB   ASP  24          HB1       ASP  24 -10.185  -8.970  -1.296
  201    H    VAL  25           HN       VAL  25 -11.825  -5.276   0.041
  202    HA   VAL  25           HA       VAL  25 -14.390  -6.726  -0.284
  203    HB   VAL  25           HB       VAL  25 -13.241  -5.937   2.413
  204   1HG1  VAL  25          HG11      VAL  25 -15.201  -8.146   2.016
  205   2HG1  VAL  25          HG12      VAL  25 -15.790  -6.502   1.770
  206   3HG1  VAL  25          HG13      VAL  25 -15.086  -6.964   3.320
  207   1HG2  VAL  25          HG21      VAL  25 -11.702  -7.592   1.655
  208   2HG2  VAL  25          HG22      VAL  25 -12.976  -8.534   0.881
  209   3HG2  VAL  25          HG23      VAL  25 -12.866  -8.479   2.640
  210    H    CYS  26           HN       CYS  26 -14.438  -4.571  -1.594
  211    HA   CYS  26           HA       CYS  26 -14.465  -1.989  -0.518
  212   1HB   CYS  26          HB2       CYS  26 -16.055  -3.398  -2.656
  213   2HB   CYS  26          HB1       CYS  26 -16.354  -1.698  -2.313
  214    H    TYR  27           HN       TYR  27 -16.821  -4.550  -0.045
  215    HA   TYR  27           HA       TYR  27 -18.644  -2.650   1.367
  216   1HB   TYR  27          HB2       TYR  27 -19.226  -5.520   0.628
  217   2HB   TYR  27          HB1       TYR  27 -20.370  -4.208   0.885
  218    HD1  TYR  27           HD1      TYR  27 -18.393  -5.993  -1.531
  219    HD2  TYR  27           HD2      TYR  27 -20.358  -2.247  -0.784
  220    HE1  TYR  27           HE1      TYR  27 -18.351  -5.488  -3.957
  221    HE2  TYR  27           HE2      TYR  27 -20.316  -1.741  -3.211
  222    HH   TYR  27           HH       TYR  27 -20.196  -3.076  -5.369
  223    H    GLY  28           HN       GLY  28 -18.577  -2.707   3.572
  224   1HA   GLY  28          HA2       GLY  28 -18.829  -4.115   5.605
  225   2HA   GLY  28          HA1       GLY  28 -17.669  -5.232   4.893
  226    H    ILE  29           HN       ILE  29 -15.949  -2.962   3.931
  227    HA   ILE  29           HA       ILE  29 -14.357  -2.687   6.360
  228    HB   ILE  29           HB       ILE  29 -12.792  -1.530   4.859
  229   1HG1  ILE  29          HG12      ILE  29 -15.003  -1.691   2.782
  230   2HG1  ILE  29          HG11      ILE  29 -14.518  -0.217   3.621
  231   1HG2  ILE  29          HG21      ILE  29 -12.642  -3.321   3.066
  232   2HG2  ILE  29          HG22      ILE  29 -14.147  -3.978   3.709
  233   3HG2  ILE  29          HG23      ILE  29 -12.706  -3.917   4.724
  234   1HD1  ILE  29          HD11      ILE  29 -12.101  -1.061   2.730
  235   2HD1  ILE  29          HD12      ILE  29 -13.142   0.026   1.812
  236   3HD1  ILE  29          HD13      ILE  29 -13.136  -1.700   1.454
  237    HA   PRO  30           HA       PRO  30 -15.736   1.238   7.702
  238   1HB   PRO  30          HB2       PRO  30 -13.403   2.387   8.574
  239   2HB   PRO  30          HB1       PRO  30 -14.257   1.102   9.451
  240   1HG   PRO  30          HG2       PRO  30 -11.824   0.955   7.783
  241   2HG   PRO  30          HG1       PRO  30 -12.286  -0.002   9.191
  242   1HD   PRO  30          HD2       PRO  30 -12.445  -0.860   6.561
  243   2HD   PRO  30          HD1       PRO  30 -13.332  -1.570   7.922
  244    H    SER  31           HN       SER  31 -15.811   3.487   7.156
  245    HA   SER  31           HA       SER  31 -15.412   4.169   4.438
  246   1HB   SER  31          HB2       SER  31 -16.837   5.202   6.373
  247   2HB   SER  31          HB1       SER  31 -15.409   6.185   6.679
  248    HG   SER  31           HG       SER  31 -17.224   6.760   4.999
  249    H    SER  32           HN       SER  32 -13.337   4.873   7.273
  250    HA   SER  32           HA       SER  32 -11.434   6.532   5.942
  251   1HB   SER  32          HB2       SER  32 -11.825   5.925   8.458
  252   2HB   SER  32          HB1       SER  32 -10.740   4.576   8.133
  253    HG   SER  32           HG       SER  32  -9.604   6.421   8.858
  254    H    THR  33           HN       THR  33 -11.451   2.979   6.433
  255    HA   THR  33           HA       THR  33  -8.965   2.520   5.022
  256    HB   THR  33           HB       THR  33 -11.379   0.758   5.565
  257    HG1  THR  33           HG1      THR  33  -8.891   1.012   6.915
  258   1HG2  THR  33          HG21      THR  33  -8.762   0.249   4.261
  259   2HG2  THR  33          HG22      THR  33 -10.301  -0.590   4.066
  260   3HG2  THR  33          HG23      THR  33  -9.273  -0.944   5.455
  261    H    ALA  34           HN       ALA  34 -12.396   2.516   4.080
  262    HA   ALA  34           HA       ALA  34 -12.111   1.622   1.397
  263   1HB   ALA  34          HB1       ALA  34 -14.056   3.610   2.619
  264   2HB   ALA  34          HB2       ALA  34 -14.236   1.856   2.653
  265   3HB   ALA  34          HB3       ALA  34 -14.314   2.720   1.118
  266    H    ARG  35           HN       ARG  35 -11.930   4.931   2.769
  267    HA   ARG  35           HA       ARG  35 -11.590   6.314   0.271
  268   1HB   ARG  35          HB2       ARG  35 -10.700   6.901   3.118
  269   2HB   ARG  35          HB1       ARG  35 -10.539   8.058   1.800
  270   1HG   ARG  35          HG2       ARG  35 -12.793   8.458   1.679
  271   2HG   ARG  35          HG1       ARG  35 -13.219   6.812   2.144
  272   1HD   ARG  35          HD2       ARG  35 -13.750   7.767   4.158
  273   2HD   ARG  35          HD1       ARG  35 -11.998   7.737   4.437
  274    HE   ARG  35           HE       ARG  35 -13.554  10.100   3.508
  275   1HH1  ARG  35          HH11      ARG  35 -11.423   9.393   5.834
  276   2HH1  ARG  35          HH12      ARG  35 -10.191  10.524   5.387
  277   1HH2  ARG  35          HH21      ARG  35 -11.599  11.234   2.288
  278   2HH2  ARG  35          HH22      ARG  35 -10.293  11.574   3.374
  279    H    LEU  36           HN       LEU  36  -9.249   4.936   2.576
  280    HA   LEU  36           HA       LEU  36  -6.852   5.720   1.198
  281   1HB   LEU  36          HB2       LEU  36  -7.234   4.844   3.586
  282   2HB   LEU  36          HB1       LEU  36  -7.285   3.234   2.873
  283    HG   LEU  36           HG       LEU  36  -4.991   4.847   1.976
  284   1HD1  LEU  36          HD11      LEU  36  -5.159   5.651   4.306
  285   2HD1  LEU  36          HD12      LEU  36  -3.751   4.611   4.097
  286   3HD1  LEU  36          HD13      LEU  36  -5.202   3.984   4.879
  287   1HD2  LEU  36          HD21      LEU  36  -3.843   2.754   2.264
  288   2HD2  LEU  36          HD22      LEU  36  -5.437   2.363   1.619
  289   3HD2  LEU  36          HD23      LEU  36  -5.102   2.140   3.336
  290    H    CYS  37           HN       CYS  37  -8.897   2.807   1.024
  291    HA   CYS  37           HA       CYS  37  -7.260   1.285  -0.774
  292   1HB   CYS  37          HB2       CYS  37 -10.000   1.292   0.320
  293   2HB   CYS  37          HB1       CYS  37  -9.856   0.528  -1.259
  294    H    CYS  38           HN       CYS  38  -9.627   3.855  -1.311
  295    HA   CYS  38           HA       CYS  38  -9.704   3.434  -4.226
  296   1HB   CYS  38          HB2       CYS  38 -11.695   4.162  -3.040
  297   2HB   CYS  38          HB1       CYS  38 -10.823   5.508  -2.313
  298    H    PHE  39           HN       PHE  39  -8.257   5.671  -1.885
  299    HA   PHE  39           HA       PHE  39  -7.164   7.532  -3.798
  300   1HB   PHE  39          HB2       PHE  39  -7.431   8.315  -1.602
  301   2HB   PHE  39          HB1       PHE  39  -6.782   6.839  -0.894
  302    HD1  PHE  39           HD1      PHE  39  -4.513   6.702  -0.279
  303    HD2  PHE  39           HD2      PHE  39  -5.804   9.804  -2.955
  304    HE1  PHE  39           HE1      PHE  39  -2.267   7.746  -0.153
  305    HE2  PHE  39           HE2      PHE  39  -3.557  10.847  -2.831
  306    HZ   PHE  39           HZ       PHE  39  -1.789   9.817  -1.430
  307    H    ARG  40           HN       ARG  40  -5.833   4.638  -2.194
  308    HA   ARG  40           HA       ARG  40  -3.247   5.014  -3.606
  309   1HB   ARG  40          HB2       ARG  40  -4.232   3.807  -1.161
  310   2HB   ARG  40          HB1       ARG  40  -3.240   2.665  -2.060
  311   1HG   ARG  40          HG2       ARG  40  -1.934   5.189  -2.196
  312   2HG   ARG  40          HG1       ARG  40  -2.385   4.922  -0.511
  313   1HD   ARG  40          HD2       ARG  40  -1.073   2.996  -0.322
  314   2HD   ARG  40          HD1       ARG  40  -1.123   2.673  -2.066
  315    HE   ARG  40           HE       ARG  40   0.502   4.444  -2.408
  316   1HH1  ARG  40          HH21      ARG  40   1.651   2.866  -0.056
  317   2HH1  ARG  40          HH22      ARG  40   2.118   4.150   1.009
  318   1HH2  ARG  40          HH11      ARG  40   0.213   6.553  -0.635
  319   2HH2  ARG  40          HH12      ARG  40   1.300   6.249   0.679
  320    H    TYR  41           HN       TYR  41  -5.486   2.244  -3.087
  321    HA   TYR  41           HA       TYR  41  -4.338   0.806  -5.345
  322   1HB   TYR  41          HB2       TYR  41  -6.712   0.337  -3.531
  323   2HB   TYR  41          HB1       TYR  41  -6.170  -0.815  -4.745
  324    HD1  TYR  41           HD1      TYR  41  -4.258  -2.199  -4.394
  325    HD2  TYR  41           HD2      TYR  41  -5.186   0.959  -1.633
  326    HE1  TYR  41           HE1      TYR  41  -2.578  -3.097  -2.806
  327    HE2  TYR  41           HE2      TYR  41  -3.500   0.068  -0.048
  328    HH   TYR  41           HH       TYR  41  -1.304  -1.407  -0.338
  329    H    GLY  42           HN       GLY  42  -7.335   2.613  -4.759
  330   1HA   GLY  42          HA2       GLY  42  -8.480   3.777  -6.548
  331   2HA   GLY  42          HA1       GLY  42  -7.795   2.634  -7.696
  332    H    ASP  43           HN       ASP  43  -9.005   1.121  -4.851
  333    HA   ASP  43           HA       ASP  43 -11.402   0.203  -6.383
  334   1HB   ASP  43          HB2       ASP  43 -10.460  -1.150  -3.892
  335   2HB   ASP  43          HB1       ASP  43 -11.110  -1.856  -5.362
  336    H    CYS  44           HN       CYS  44 -13.393  -0.111  -5.127
  337    HA   CYS  44           HA       CYS  44 -15.068   0.616  -3.628
  338   1HB   CYS  44          HB2       CYS  44 -12.789   1.367  -1.791
  339   2HB   CYS  44          HB1       CYS  44 -14.390   0.801  -1.346
  340    H    CYS  45           HN       CYS  45 -14.119   2.464  -5.592
  341    HA   CYS  45           HA       CYS  45 -13.784   5.079  -4.262
  342   1HB   CYS  45          HB2       CYS  45 -13.830   4.046  -7.105
  343   2HB   CYS  45          HB1       CYS  45 -13.732   5.767  -6.743
  344    H    HIS  46           HN       HIS  46 -15.998   3.806  -6.778
  345    HA   HIS  46           HA       HIS  46 -18.059   5.768  -5.892
  346   1HB   HIS  46          HB2       HIS  46 -17.503   4.156  -8.382
  347   2HB   HIS  46          HB1       HIS  46 -19.079   4.906  -8.133
  348    HD1  HIS  46           HD1      HIS  46 -19.134   7.543  -7.970
  349    HD2  HIS  46           HD2      HIS  46 -15.430   5.951  -9.035
  350    HE1  HIS  46           HE1      HIS  46 -17.750   9.474  -8.848
  351    H    LEU  47           HN       LEU  47 -18.630   4.469  -3.965
  352    HA   LEU  47           HA       LEU  47 -19.808   1.790  -4.415
  353   1HB   LEU  47          HB2       LEU  47 -18.819   3.454  -2.188
  354   2HB   LEU  47          HB1       LEU  47 -20.251   2.507  -1.787
  355    HG   LEU  47           HG       LEU  47 -18.456   0.852  -3.297
  356   1HD1  LEU  47          HD11      LEU  47 -16.719   2.450  -2.484
  357   2HD1  LEU  47          HD12      LEU  47 -16.519   0.832  -1.812
  358   3HD1  LEU  47          HD13      LEU  47 -17.225   2.114  -0.828
  359   1HD2  LEU  47          HD21      LEU  47 -20.229   0.213  -1.604
  360   2HD2  LEU  47          HD22      LEU  47 -19.128   0.765  -0.341
  361   3HD2  LEU  47          HD23      LEU  47 -18.676  -0.591  -1.374
  Start of MODEL    2
    1   1H    HIS   1           HT1      HIS   1 -25.500 -10.395 -19.530
    2   2H    HIS   1           HT2      HIS   1 -26.446  -9.352 -18.578
    3   3H    HIS   1           HT3      HIS   1 -25.613 -10.644 -17.856
    4    HA   HIS   1           HA       HIS   1 -23.509  -9.640 -18.207
    5   1HB   HIS   1          HB2       HIS   1 -23.328  -7.638 -19.634
    6   2HB   HIS   1          HB1       HIS   1 -24.098  -8.950 -20.523
    7    HD1  HIS   1           HD1      HIS   1 -24.899  -5.682 -18.788
    8    HD2  HIS   1           HD2      HIS   1 -26.763  -8.449 -21.292
    9    HE1  HIS   1           HE1      HIS   1 -27.082  -4.630 -19.523
   10    H    SER   2           HN       SER   2 -22.713  -7.560 -17.166
   11    HA   SER   2           HA       SER   2 -22.765  -6.047 -15.360
   12   1HB   SER   2          HB2       SER   2 -25.654  -5.759 -16.247
   13   2HB   SER   2          HB1       SER   2 -24.704  -4.568 -15.365
   14    HG   SER   2           HG       SER   2 -23.888  -3.946 -17.195
   15    H    SER   3           HN       SER   3 -22.561  -7.992 -13.921
   16    HA   SER   3           HA       SER   3 -24.776  -8.064 -11.966
   17   1HB   SER   3          HB2       SER   3 -24.460  -9.993 -14.051
   18   2HB   SER   3          HB1       SER   3 -24.050 -10.781 -12.530
   19    HG   SER   3           HG       SER   3 -26.180 -10.938 -12.491
   20    H    GLY   4           HN       GLY   4 -24.103  -9.259  -9.976
   21   1HA   GLY   4          HA2       GLY   4 -22.482 -10.164  -8.483
   22   2HA   GLY   4          HA1       GLY   4 -21.254  -9.956  -9.730
   23    H    TYR   5           HN       TYR   5 -19.805  -8.378  -9.319
   24    HA   TYR   5           HA       TYR   5 -18.871  -6.342  -8.576
   25   1HB   TYR   5          HB2       TYR   5 -21.420  -5.765  -9.411
   26   2HB   TYR   5          HB1       TYR   5 -21.465  -5.197  -7.742
   27    HD1  TYR   5           HD1      TYR   5 -19.760  -4.845 -11.010
   28    HD2  TYR   5           HD2      TYR   5 -20.151  -3.303  -7.019
   29    HE1  TYR   5           HE1      TYR   5 -18.478  -2.827 -11.665
   30    HE2  TYR   5           HE2      TYR   5 -18.869  -1.284  -7.675
   31    HH   TYR   5           HH       TYR   5 -17.027  -0.834  -9.630
   32    H    THR   6           HN       THR   6 -18.346  -5.267  -6.562
   33    HA   THR   6           HA       THR   6 -19.334  -6.732  -4.138
   34    HB   THR   6           HB       THR   6 -16.663  -5.388  -4.675
   35    HG1  THR   6           HG1      THR   6 -16.037  -7.241  -5.428
   36   1HG2  THR   6          HG21      THR   6 -17.332  -5.500  -2.282
   37   2HG2  THR   6          HG22      THR   6 -15.939  -6.522  -2.634
   38   3HG2  THR   6          HG23      THR   6 -17.536  -7.244  -2.443
   39    H    ARG   7           HN       ARG   7 -20.185  -5.491  -2.501
   40    HA   ARG   7           HA       ARG   7 -20.814  -2.715  -2.898
   41   1HB   ARG   7          HB2       ARG   7 -21.598  -2.903  -0.526
   42   2HB   ARG   7          HB1       ARG   7 -22.170  -4.228  -1.536
   43   1HG   ARG   7          HG2       ARG   7 -21.119  -5.749  -0.246
   44   2HG   ARG   7          HG1       ARG   7 -19.590  -4.882  -0.384
   45   1HD   ARG   7          HD2       ARG   7 -20.162  -4.912   1.964
   46   2HD   ARG   7          HD1       ARG   7 -20.497  -3.267   1.389
   47    HE   ARG   7           HE       ARG   7 -22.859  -4.750   0.953
   48   1HH1  ARG   7          HH21      ARG   7 -22.233  -2.298   2.823
   49   2HH1  ARG   7          HH22      ARG   7 -22.909  -2.891   4.304
   50   1HH2  ARG   7          HH11      ARG   7 -23.136  -6.177   3.193
   51   2HH2  ARG   7          HH12      ARG   7 -23.421  -5.095   4.514
   52    HA   PRO   8           HA       PRO   8 -17.158  -0.744  -1.429
   53   1HB   PRO   8          HB2       PRO   8 -18.213   1.570  -0.415
   54   2HB   PRO   8          HB1       PRO   8 -18.075   1.249  -2.155
   55   1HG   PRO   8          HG2       PRO   8 -20.448   1.018  -0.371
   56   2HG   PRO   8          HG1       PRO   8 -20.340   1.617  -2.034
   57   1HD   PRO   8          HD2       PRO   8 -21.254  -0.865  -1.398
   58   2HD   PRO   8          HD1       PRO   8 -20.453  -0.485  -2.938
   59    H    LEU   9           HN       LEU   9 -15.986  -0.423   0.513
   60    HA   LEU   9           HA       LEU   9 -17.043  -1.722   2.901
   61   1HB   LEU   9          HB2       LEU   9 -14.553  -1.125   1.732
   62   2HB   LEU   9          HB1       LEU   9 -14.578  -0.219   3.245
   63    HG   LEU   9           HG       LEU   9 -15.548  -2.519   4.187
   64   1HD1  LEU   9          HD11      LEU   9 -15.550  -3.580   1.932
   65   2HD1  LEU   9          HD12      LEU   9 -14.518  -4.440   3.074
   66   3HD1  LEU   9          HD13      LEU   9 -13.799  -3.381   1.861
   67   1HD2  LEU   9          HD21      LEU   9 -13.425  -1.295   4.827
   68   2HD2  LEU   9          HD22      LEU   9 -12.597  -2.203   3.562
   69   3HD2  LEU   9          HD23      LEU   9 -13.312  -3.052   4.932
   70    H    ARG  10           HN       ARG  10 -16.587  -0.515   5.085
   71    HA   ARG  10           HA       ARG  10 -18.333   1.767   5.261
   72   1HB   ARG  10          HB2       ARG  10 -17.682   1.707   7.622
   73   2HB   ARG  10          HB1       ARG  10 -17.902   0.059   7.037
   74   1HG   ARG  10          HG2       ARG  10 -15.298   0.288   6.495
   75   2HG   ARG  10          HG1       ARG  10 -15.382   1.486   7.786
   76   1HD   ARG  10          HD2       ARG  10 -16.873  -0.850   8.586
   77   2HD   ARG  10          HD1       ARG  10 -15.242  -1.334   8.082
   78    HE   ARG  10           HE       ARG  10 -14.371  -0.116   9.915
   79   1HH1  ARG  10          HH11      ARG  10 -17.326  -0.492  10.923
   80   2HH1  ARG  10          HH12      ARG  10 -17.619   1.095  11.551
   81   1HH2  ARG  10          HH21      ARG  10 -14.859   2.508   9.980
   82   2HH2  ARG  10          HH22      ARG  10 -16.217   2.802  11.013
   83    H    LYS  11           HN       LYS  11 -17.810   3.962   5.655
   84    HA   LYS  11           HA       LYS  11 -14.951   4.754   5.298
   85   1HB   LYS  11          HB2       LYS  11 -17.072   4.975   3.438
   86   2HB   LYS  11          HB1       LYS  11 -16.797   6.604   4.054
   87   1HG   LYS  11          HG2       LYS  11 -14.286   5.219   3.529
   88   2HG   LYS  11          HG1       LYS  11 -15.295   5.309   2.085
   89   1HD   LYS  11          HD2       LYS  11 -15.596   7.769   2.537
   90   2HD   LYS  11          HD1       LYS  11 -14.409   7.622   3.833
   91   1HE   LYS  11          HE2       LYS  11 -13.400   6.396   1.396
   92   2HE   LYS  11          HE1       LYS  11 -13.849   8.090   1.115
   93   1HZ   LYS  11          HZ1       LYS  11 -12.635   8.692   3.139
   94   2HZ   LYS  11          HZ2       LYS  11 -11.609   7.958   2.001
   95   3HZ   LYS  11          HZ3       LYS  11 -12.158   7.077   3.346
   96    HA   PRO  12           HA       PRO  12 -16.482   7.081   8.854
   97   1HB   PRO  12          HB2       PRO  12 -14.037   7.403  10.033
   98   2HB   PRO  12          HB1       PRO  12 -14.992   5.917  10.183
   99   1HG   PRO  12          HG2       PRO  12 -12.598   6.462   8.545
  100   2HG   PRO  12          HG1       PRO  12 -13.158   4.947   9.266
  101   1HD   PRO  12          HD2       PRO  12 -13.419   5.699   6.584
  102   2HD   PRO  12          HD1       PRO  12 -14.265   4.361   7.388
  103    H    SER  13           HN       SER  13 -15.159   9.191   9.895
  104    HA   SER  13           HA       SER  13 -14.795  11.028   7.572
  105   1HB   SER  13          HB2       SER  13 -15.566  11.433  10.476
  106   2HB   SER  13          HB1       SER  13 -15.351  12.753   9.330
  107    HG   SER  13           HG       SER  13 -17.519  11.390   9.725
  108    H    ARG  14           HN       ARG  14 -12.502   9.801   7.732
  109    HA   ARG  14           HA       ARG  14 -10.737  11.170   9.700
  110   1HB   ARG  14          HB2       ARG  14 -10.698   8.653   8.085
  111   2HB   ARG  14          HB1       ARG  14  -9.149   9.372   8.524
  112   1HG   ARG  14          HG2       ARG  14  -9.838   9.389  10.903
  113   2HG   ARG  14          HG1       ARG  14 -11.369   8.636  10.455
  114   1HD   ARG  14          HD2       ARG  14 -10.209   6.700  10.931
  115   2HD   ARG  14          HD1       ARG  14  -9.625   6.909   9.269
  116    HE   ARG  14           HE       ARG  14  -8.023   7.258  11.650
  117   1HH1  ARG  14          HH11      ARG  14  -7.293   6.806   8.634
  118   2HH1  ARG  14          HH12      ARG  14  -6.310   8.205   8.358
  119   1HH2  ARG  14          HH21      ARG  14  -7.342   9.824  11.256
  120   2HH2  ARG  14          HH22      ARG  14  -6.337   9.920   9.850
  121    HA   PRO  15           HA       PRO  15  -9.338  13.805   6.405
  122   1HB   PRO  15          HB2       PRO  15  -7.163  14.855   7.685
  123   2HB   PRO  15          HB1       PRO  15  -8.828  15.346   8.052
  124   1HG   PRO  15          HG2       PRO  15  -7.032  13.494   9.528
  125   2HG   PRO  15          HG1       PRO  15  -8.208  14.663  10.148
  126   1HD   PRO  15          HD2       PRO  15  -8.659  11.966  10.000
  127   2HD   PRO  15          HD1       PRO  15  -9.944  13.192   9.985
  128    H    ILE  16           HN       ILE  16  -7.203  14.186   5.208
  129    HA   ILE  16           HA       ILE  16  -6.096  11.742   4.248
  130    HB   ILE  16           HB       ILE  16  -4.443  13.258   3.150
  131   1HG1  ILE  16          HG12      ILE  16  -5.774  15.589   4.506
  132   2HG1  ILE  16          HG11      ILE  16  -4.436  14.771   5.312
  133   1HG2  ILE  16          HG21      ILE  16  -6.011  14.328   1.767
  134   2HG2  ILE  16          HG22      ILE  16  -7.122  14.634   3.101
  135   3HG2  ILE  16          HG23      ILE  16  -6.939  13.000   2.464
  136   1HD1  ILE  16          HD11      ILE  16  -3.753  16.729   3.856
  137   2HD1  ILE  16          HD12      ILE  16  -4.283  15.788   2.462
  138   3HD1  ILE  16          HD13      ILE  16  -2.954  15.206   3.465
  139    H    PHE  17           HN       PHE  17  -3.677  11.217   4.342
  140    HA   PHE  17           HA       PHE  17  -2.300  11.993   6.838
  141   1HB   PHE  17          HB2       PHE  17  -3.999  10.092   7.232
  142   2HB   PHE  17          HB1       PHE  17  -2.913   9.085   6.275
  143    HD1  PHE  17           HD1      PHE  17  -2.842  11.478   9.169
  144    HD2  PHE  17           HD2      PHE  17  -1.172   7.959   7.354
  145    HE1  PHE  17           HE1      PHE  17  -1.404  11.132  11.160
  146    HE2  PHE  17           HE2      PHE  17   0.264   7.615   9.346
  147    HZ   PHE  17           HZ       PHE  17   0.148   9.201  11.248
  148    H    ILE  18           HN       ILE  18  -0.086  11.007   6.920
  149    HA   ILE  18           HA       ILE  18   1.235  11.130   4.336
  150    HB   ILE  18           HB       ILE  18   3.250  10.742   5.693
  151   1HG1  ILE  18          HG12      ILE  18   1.295  10.131   7.938
  152   2HG1  ILE  18          HG11      ILE  18   2.333   8.954   7.138
  153   1HG2  ILE  18          HG21      ILE  18   1.477  12.437   7.433
  154   2HG2  ILE  18          HG22      ILE  18   1.823  12.941   5.778
  155   3HG2  ILE  18          HG23      ILE  18   3.143  12.724   6.927
  156   1HD1  ILE  18          HD11      ILE  18   3.077  11.156   9.034
  157   2HD1  ILE  18          HD12      ILE  18   4.251  10.640   7.823
  158   3HD1  ILE  18          HD13      ILE  18   3.628   9.481   8.997
  159    H    ARG  19           HN       ARG  19   2.894   9.299   3.820
  160    HA   ARG  19           HA       ARG  19   1.417   6.861   3.322
  161   1HB   ARG  19          HB2       ARG  19   3.160   6.435   1.868
  162   2HB   ARG  19          HB1       ARG  19   3.400   8.165   2.074
  163   1HG   ARG  19          HG2       ARG  19   4.789   6.147   3.850
  164   2HG   ARG  19          HG1       ARG  19   5.469   6.659   2.310
  165   1HD   ARG  19          HD2       ARG  19   4.921   9.092   3.350
  166   2HD   ARG  19          HD1       ARG  19   5.219   8.186   4.847
  167    HE   ARG  19           HE       ARG  19   7.440   7.619   4.016
  168   1HH1  ARG  19          HH11      ARG  19   6.749   7.665   1.067
  169   2HH1  ARG  19          HH12      ARG  19   7.585   9.084   0.537
  170   1HH2  ARG  19          HH21      ARG  19   8.025  10.340   3.749
  171   2HH2  ARG  19          HH22      ARG  19   8.312  10.607   2.062
  172    HA   PRO  20           HA       PRO  20   2.452   4.543   6.893
  173   1HB   PRO  20          HB2       PRO  20   2.538   2.012   5.843
  174   2HB   PRO  20          HB1       PRO  20   1.030   2.905   6.120
  175   1HG   PRO  20          HG2       PRO  20   2.544   2.494   3.594
  176   2HG   PRO  20          HG1       PRO  20   0.798   2.524   3.872
  177   1HD   PRO  20          HD2       PRO  20   2.187   4.621   2.820
  178   2HD   PRO  20          HD1       PRO  20   0.685   4.801   3.747
  179    H    ILE  21           HN       ILE  21   4.132   3.071   7.790
  180    HA   ILE  21           HA       ILE  21   6.797   3.790   6.851
  181    HB   ILE  21           HB       ILE  21   5.799   1.976   9.076
  182   1HG1  ILE  21          HG12      ILE  21   6.878   4.522   9.905
  183   2HG1  ILE  21          HG11      ILE  21   5.592   4.780   8.730
  184   1HG2  ILE  21          HG21      ILE  21   8.117   1.487   8.702
  185   2HG2  ILE  21          HG22      ILE  21   8.062   2.585  10.081
  186   3HG2  ILE  21          HG23      ILE  21   8.509   3.193   8.487
  187   1HD1  ILE  21          HD11      ILE  21   4.313   2.981  10.167
  188   2HD1  ILE  21          HD12      ILE  21   4.377   4.656  10.717
  189   3HD1  ILE  21          HD13      ILE  21   5.459   3.455  11.421
  190    H    GLY  22           HN       GLY  22   8.493   2.088   6.588
  191   1HA   GLY  22          HA2       GLY  22   9.094  -0.233   6.075
  192   2HA   GLY  22          HA1       GLY  22   7.465  -0.466   5.448
  193    H    CYS  23           HN       CYS  23   6.983   1.332   3.657
  194    HA   CYS  23           HA       CYS  23   8.686   0.749   1.417
  195   1HB   CYS  23          HB2       CYS  23   6.336   2.470   2.048
  196   2HB   CYS  23          HB1       CYS  23   7.195   2.806   0.553
  197    H    ASP  24           HN       ASP  24   8.602   3.460   3.683
  198    HA   ASP  24           HA       ASP  24  10.446   5.089   2.077
  199   1HB   ASP  24          HB2       ASP  24   8.530   5.614   3.909
  200   2HB   ASP  24          HB1       ASP  24   9.943   5.627   4.961
  201    H    VAL  25           HN       VAL  25  11.051   2.289   3.575
  202    HA   VAL  25           HA       VAL  25  13.774   3.112   4.436
  203    HB   VAL  25           HB       VAL  25  12.074   1.051   5.876
  204   1HG1  VAL  25          HG11      VAL  25  14.401   0.814   6.365
  205   2HG1  VAL  25          HG12      VAL  25  13.709   1.681   7.735
  206   3HG1  VAL  25          HG13      VAL  25  14.621   2.558   6.506
  207   1HG2  VAL  25          HG21      VAL  25  11.828   2.916   7.631
  208   2HG2  VAL  25          HG22      VAL  25  10.828   3.065   6.186
  209   3HG2  VAL  25          HG23      VAL  25  12.293   4.034   6.349
  210    H    CYS  26           HN       CYS  26  13.650   2.265   2.004
  211    HA   CYS  26           HA       CYS  26  13.323  -0.366   1.189
  212   1HB   CYS  26          HB2       CYS  26  15.409   1.722   0.523
  213   2HB   CYS  26          HB1       CYS  26  15.264   0.222  -0.387
  214    H    TYR  27           HN       TYR  27  15.895   0.905   3.230
  215    HA   TYR  27           HA       TYR  27  17.288  -1.735   3.149
  216   1HB   TYR  27          HB2       TYR  27  18.154   0.953   4.252
  217   2HB   TYR  27          HB1       TYR  27  19.176  -0.469   4.081
  218    HD1  TYR  27           HD1      TYR  27  17.819   2.444   2.431
  219    HD2  TYR  27           HD2      TYR  27  19.575  -1.417   1.744
  220    HE1  TYR  27           HE1      TYR  27  18.346   3.098   0.098
  221    HE2  TYR  27           HE2      TYR  27  20.100  -0.762  -0.589
  222    HH   TYR  27           HH       TYR  27  20.423   1.976  -1.699
  223    H    GLY  28           HN       GLY  28  16.973  -3.071   4.862
  224   1HA   GLY  28          HA2       GLY  28  17.101  -3.344   7.331
  225   2HA   GLY  28          HA1       GLY  28  16.144  -1.872   7.474
  226    H    ILE  29           HN       ILE  29  14.360  -2.712   5.207
  227    HA   ILE  29           HA       ILE  29  12.474  -4.261   6.815
  228    HB   ILE  29           HB       ILE  29  10.971  -3.868   4.917
  229   1HG1  ILE  29          HG12      ILE  29  13.398  -2.733   3.484
  230   2HG1  ILE  29          HG11      ILE  29  12.671  -4.302   3.131
  231   1HG2  ILE  29          HG21      ILE  29  11.162  -1.372   4.801
  232   2HG2  ILE  29          HG22      ILE  29  12.722  -1.496   5.612
  233   3HG2  ILE  29          HG23      ILE  29  11.255  -2.010   6.442
  234   1HD1  ILE  29          HD11      ILE  29  11.710  -2.806   1.549
  235   2HD1  ILE  29          HD12      ILE  29  11.448  -1.561   2.771
  236   3HD1  ILE  29          HD13      ILE  29  10.471  -3.028   2.783
  237    HA   PRO  30           HA       PRO  30  13.267  -8.243   5.201
  238   1HB   PRO  30          HB2       PRO  30  10.742  -9.294   5.000
  239   2HB   PRO  30          HB1       PRO  30  11.596  -9.065   6.539
  240   1HG   PRO  30          HG2       PRO  30   9.428  -7.468   5.325
  241   2HG   PRO  30          HG1       PRO  30   9.787  -7.775   7.025
  242   1HD   PRO  30          HD2       PRO  30  10.370  -5.428   5.679
  243   2HD   PRO  30          HD1       PRO  30  11.142  -5.957   7.185
  244    H    SER  31           HN       SER  31  13.157  -9.570   3.300
  245    HA   SER  31           HA       SER  31  13.091  -8.231   0.808
  246   1HB   SER  31          HB2       SER  31  14.051 -10.539   1.670
  247   2HB   SER  31          HB1       SER  31  12.522 -11.169   1.066
  248    HG   SER  31           HG       SER  31  14.661 -10.673  -0.322
  249    H    SER  32           HN       SER  32  10.554 -10.223   2.366
  250    HA   SER  32           HA       SER  32   8.709 -10.224   0.178
  251   1HB   SER  32          HB2       SER  32   8.810 -11.524   2.460
  252   2HB   SER  32          HB1       SER  32   7.886 -10.159   3.077
  253    HG   SER  32           HG       SER  32   6.581 -11.900   2.263
  254    H    THR  33           HN       THR  33   9.064  -7.972   2.938
  255    HA   THR  33           HA       THR  33   6.827  -6.292   2.247
  256    HB   THR  33           HB       THR  33   9.423  -5.794   3.739
  257    HG1  THR  33           HG1      THR  33   6.802  -6.165   4.747
  258   1HG2  THR  33          HG21      THR  33   7.001  -4.067   3.298
  259   2HG2  THR  33          HG22      THR  33   8.706  -3.618   3.273
  260   3HG2  THR  33          HG23      THR  33   7.903  -3.946   4.808
  261    H    ALA  34           HN       ALA  34  10.290  -6.194   1.407
  262    HA   ALA  34           HA       ALA  34  10.318  -3.735  -0.015
  263   1HB   ALA  34          HB1       ALA  34  12.240  -5.075  -1.255
  264   2HB   ALA  34          HB2       ALA  34  11.899  -6.288  -0.020
  265   3HB   ALA  34          HB3       ALA  34  12.408  -4.667   0.453
  266    H    ARG  35           HN       ARG  35   9.571  -7.045  -1.159
  267    HA   ARG  35           HA       ARG  35   9.260  -6.381  -3.938
  268   1HB   ARG  35          HB2       ARG  35   8.051  -8.546  -2.178
  269   2HB   ARG  35          HB1       ARG  35   7.911  -8.525  -3.934
  270   1HG   ARG  35          HG2       ARG  35  10.636  -8.122  -3.473
  271   2HG   ARG  35          HG1       ARG  35  10.170  -9.335  -2.281
  272   1HD   ARG  35          HD2       ARG  35   9.485 -10.875  -3.921
  273   2HD   ARG  35          HD1       ARG  35   9.270  -9.612  -5.149
  274    HE   ARG  35           HE       ARG  35  11.953 -10.470  -4.116
  275   1HH1  ARG  35          HH21      ARG  35  11.881  -7.832  -5.507
  276   2HH1  ARG  35          HH22      ARG  35  12.214  -8.264  -7.150
  277   1HH2  ARG  35          HH11      ARG  35  11.503 -11.635  -6.677
  278   2HH2  ARG  35          HH12      ARG  35  12.000 -10.429  -7.815
  279    H    LEU  36           HN       LEU  36   6.916  -6.494  -1.243
  280    HA   LEU  36           HA       LEU  36   4.607  -5.777  -2.827
  281   1HB   LEU  36          HB2       LEU  36   5.141  -6.637  -0.261
  282   2HB   LEU  36          HB1       LEU  36   4.681  -4.958   0.011
  283    HG   LEU  36           HG       LEU  36   2.694  -6.374   0.126
  284   1HD1  LEU  36          HD11      LEU  36   2.624  -4.086  -1.006
  285   2HD1  LEU  36          HD12      LEU  36   1.301  -5.182  -1.404
  286   3HD1  LEU  36          HD13      LEU  36   2.627  -4.951  -2.543
  287   1HD2  LEU  36          HD21      LEU  36   1.983  -7.754  -1.738
  288   2HD2  LEU  36          HD22      LEU  36   3.638  -8.200  -1.325
  289   3HD2  LEU  36          HD23      LEU  36   3.324  -7.182  -2.730
  290    H    CYS  37           HN       CYS  37   7.018  -3.902  -1.002
  291    HA   CYS  37           HA       CYS  37   5.734  -1.337  -1.223
  292   1HB   CYS  37          HB2       CYS  37   8.353  -2.490  -0.473
  293   2HB   CYS  37          HB1       CYS  37   8.417  -0.831  -1.061
  294    H    CYS  38           HN       CYS  38   7.843  -3.165  -3.404
  295    HA   CYS  38           HA       CYS  38   8.257  -0.864  -5.200
  296   1HB   CYS  38          HB2       CYS  38  10.035  -2.482  -4.865
  297   2HB   CYS  38          HB1       CYS  38   8.963  -3.817  -5.276
  298    H    PHE  39           HN       PHE  39   6.337  -3.844  -5.078
  299    HA   PHE  39           HA       PHE  39   5.270  -3.679  -7.753
  300   1HB   PHE  39          HB2       PHE  39   5.223  -5.787  -6.707
  301   2HB   PHE  39          HB1       PHE  39   4.617  -5.124  -5.192
  302    HD1  PHE  39           HD1      PHE  39   3.610  -5.410  -8.802
  303    HD2  PHE  39           HD2      PHE  39   2.354  -5.385  -4.694
  304    HE1  PHE  39           HE1      PHE  39   1.287  -5.907  -9.510
  305    HE2  PHE  39           HE2      PHE  39   0.031  -5.884  -5.402
  306    HZ   PHE  39           HZ       PHE  39  -0.503  -6.144  -7.810
  307    H    ARG  40           HN       ARG  40   4.086  -2.530  -4.589
  308    HA   ARG  40           HA       ARG  40   1.660  -1.415  -5.891
  309   1HB   ARG  40          HB2       ARG  40   2.562  -2.157  -3.149
  310   2HB   ARG  40          HB1       ARG  40   1.358  -0.879  -3.278
  311   1HG   ARG  40          HG2       ARG  40   1.046  -3.494  -4.752
  312   2HG   ARG  40          HG1       ARG  40   0.481  -3.296  -3.094
  313   1HD   ARG  40          HD2       ARG  40  -1.352  -2.148  -3.780
  314   2HD   ARG  40          HD1       ARG  40  -0.369  -1.068  -4.789
  315    HE   ARG  40           HE       ARG  40  -1.366  -3.753  -5.656
  316   1HH1  ARG  40          HH21      ARG  40  -2.552  -1.414  -6.971
  317   2HH1  ARG  40          HH22      ARG  40  -1.563  -1.201  -8.377
  318   1HH2  ARG  40          HH11      ARG  40   1.036  -3.162  -7.166
  319   2HH2  ARG  40          HH12      ARG  40   0.478  -2.191  -8.485
  320    H    TYR  41           HN       TYR  41   4.043  -0.176  -3.489
  321    HA   TYR  41           HA       TYR  41   3.339   2.586  -4.061
  322   1HB   TYR  41          HB2       TYR  41   5.510   1.201  -2.484
  323   2HB   TYR  41          HB1       TYR  41   5.381   2.955  -2.565
  324    HD1  TYR  41           HD1      TYR  41   3.593   4.144  -1.442
  325    HD2  TYR  41           HD2      TYR  41   3.746  -0.150  -1.416
  326    HE1  TYR  41           HE1      TYR  41   1.866   4.094   0.342
  327    HE2  TYR  41           HE2      TYR  41   2.015  -0.201   0.360
  328    HH   TYR  41           HH       TYR  41   0.012   1.823   1.033
  329    H    GLY  42           HN       GLY  42   6.062   0.479  -4.970
  330   1HA   GLY  42          HA2       GLY  42   7.184   0.735  -7.106
  331   2HA   GLY  42          HA1       GLY  42   6.735   2.435  -7.107
  332    H    ASP  43           HN       ASP  43   7.885   1.401  -4.047
  333    HA   ASP  43           HA       ASP  43  10.511   2.722  -4.596
  334   1HB   ASP  43          HB2       ASP  43   9.182   2.212  -1.924
  335   2HB   ASP  43          HB1       ASP  43  10.475   3.345  -2.276
  336    H    CYS  44           HN       CYS  44  12.394   1.800  -3.474
  337    HA   CYS  44           HA       CYS  44  13.807   0.014  -2.849
  338   1HB   CYS  44          HB2       CYS  44  11.232  -1.380  -2.082
  339   2HB   CYS  44          HB1       CYS  44  12.830  -1.658  -1.409
  340    H    CYS  45           HN       CYS  45  12.766   0.199  -5.565
  341    HA   CYS  45           HA       CYS  45  12.167  -2.557  -6.428
  342   1HB   CYS  45          HB2       CYS  45  12.506   0.136  -7.775
  343   2HB   CYS  45          HB1       CYS  45  12.200  -1.340  -8.685
  344    H    HIS  46           HN       HIS  46  14.616  -0.121  -7.374
  345    HA   HIS  46           HA       HIS  46  16.462  -2.260  -8.239
  346   1HB   HIS  46          HB2       HIS  46  16.515   0.776  -8.314
  347   2HB   HIS  46          HB1       HIS  46  17.792  -0.239  -8.984
  348    HD1  HIS  46           HD1      HIS  46  14.542   1.225  -9.803
  349    HD2  HIS  46           HD2      HIS  46  16.771  -2.043 -11.122
  350    HE1  HIS  46           HE1      HIS  46  13.535   0.516 -12.017
  351    H    LEU  47           HN       LEU  47  16.986  -3.165  -6.130
  352    HA   LEU  47           HA       LEU  47  18.713  -1.388  -4.437
  353   1HB   LEU  47          HB2       LEU  47  16.298  -2.660  -3.821
  354   2HB   LEU  47          HB1       LEU  47  17.527  -3.698  -3.099
  355    HG   LEU  47           HG       LEU  47  18.509  -1.324  -2.324
  356   1HD1  LEU  47          HD11      LEU  47  16.840   0.300  -1.891
  357   2HD1  LEU  47          HD12      LEU  47  15.531  -0.842  -2.197
  358   3HD1  LEU  47          HD13      LEU  47  16.504  -0.236  -3.537
  359   1HD2  LEU  47          HD21      LEU  47  17.911  -3.209  -0.848
  360   2HD2  LEU  47          HD22      LEU  47  16.206  -2.777  -0.980
  361   3HD2  LEU  47          HD23      LEU  47  17.333  -1.684  -0.175
  Start of MODEL    3
    1   1H    HIS   1           HT1      HIS   1 -35.085   0.972 -16.112
    2   2H    HIS   1           HT2      HIS   1 -34.161   2.394 -16.220
    3   3H    HIS   1           HT3      HIS   1 -35.833   2.442 -16.512
    4    HA   HIS   1           HA       HIS   1 -35.362   3.333 -14.314
    5   1HB   HIS   1          HB2       HIS   1 -36.993   1.013 -15.011
    6   2HB   HIS   1          HB1       HIS   1 -36.615   1.043 -13.289
    7    HD1  HIS   1           HD1      HIS   1 -38.885   2.481 -15.726
    8    HD2  HIS   1           HD2      HIS   1 -37.257   3.731 -12.096
    9    HE1  HIS   1           HE1      HIS   1 -40.323   4.404 -14.919
   10    H    SER   2           HN       SER   2 -33.951   3.290 -12.596
   11    HA   SER   2           HA       SER   2 -32.667   0.724 -11.803
   12   1HB   SER   2          HB2       SER   2 -30.445   1.968 -11.879
   13   2HB   SER   2          HB1       SER   2 -31.163   1.629 -13.450
   14    HG   SER   2           HG       SER   2 -30.602   4.004 -12.279
   15    H    SER   3           HN       SER   3 -31.889   0.766  -9.614
   16    HA   SER   3           HA       SER   3 -33.088   2.908  -7.942
   17   1HB   SER   3          HB2       SER   3 -33.283   0.329  -7.655
   18   2HB   SER   3          HB1       SER   3 -31.649   0.424  -7.005
   19    HG   SER   3           HG       SER   3 -33.129   0.644  -5.330
   20    H    GLY   4           HN       GLY   4 -31.789   4.609  -7.380
   21   1HA   GLY   4          HA2       GLY   4 -28.861   4.362  -7.533
   22   2HA   GLY   4          HA1       GLY   4 -29.759   5.847  -7.228
   23    H    TYR   5           HN       TYR   5 -27.627   3.867  -5.774
   24    HA   TYR   5           HA       TYR   5 -28.710   4.481  -3.051
   25   1HB   TYR   5          HB2       TYR   5 -28.322   1.943  -4.331
   26   2HB   TYR   5          HB1       TYR   5 -27.171   2.074  -3.002
   27    HD1  TYR   5           HD1      TYR   5 -30.668   1.708  -3.927
   28    HD2  TYR   5           HD2      TYR   5 -27.993   2.603  -0.687
   29    HE1  TYR   5           HE1      TYR   5 -32.492   1.278  -2.302
   30    HE2  TYR   5           HE2      TYR   5 -29.817   2.173   0.937
   31    HH   TYR   5           HH       TYR   5 -32.982   2.102   0.167
   32    H    THR   6           HN       THR   6 -27.205   5.426  -1.720
   33    HA   THR   6           HA       THR   6 -24.435   5.765  -2.750
   34    HB   THR   6           HB       THR   6 -25.858   7.044  -0.389
   35    HG1  THR   6           HG1      THR   6 -26.960   7.998  -1.887
   36   1HG2  THR   6          HG21      THR   6 -23.314   7.622  -1.902
   37   2HG2  THR   6          HG22      THR   6 -23.539   7.435  -0.163
   38   3HG2  THR   6          HG23      THR   6 -24.138   8.879  -0.980
   39    H    ARG   7           HN       ARG   7 -23.245   3.942  -2.144
   40    HA   ARG   7           HA       ARG   7 -22.788   3.519   0.732
   41   1HB   ARG   7          HB2       ARG   7 -24.859   2.187  -0.358
   42   2HB   ARG   7          HB1       ARG   7 -23.563   1.075  -0.795
   43   1HG   ARG   7          HG2       ARG   7 -24.332   0.341   1.339
   44   2HG   ARG   7          HG1       ARG   7 -22.825   1.201   1.654
   45   1HD   ARG   7          HD2       ARG   7 -24.326   2.072   3.281
   46   2HD   ARG   7          HD1       ARG   7 -24.356   3.294   1.995
   47    HE   ARG   7           HE       ARG   7 -26.323   1.426   1.283
   48   1HH1  ARG   7          HH21      ARG   7 -26.777   1.118   4.204
   49   2HH1  ARG   7          HH22      ARG   7 -27.915   2.378   4.543
   50   1HH2  ARG   7          HH11      ARG   7 -27.278   4.102   1.591
   51   2HH2  ARG   7          HH12      ARG   7 -28.199   4.078   3.057
   52    HA   PRO   8           HA       PRO   8 -18.849   2.598  -1.119
   53   1HB   PRO   8          HB2       PRO   8 -17.550   1.855   1.172
   54   2HB   PRO   8          HB1       PRO   8 -17.901   3.547   0.767
   55   1HG   PRO   8          HG2       PRO   8 -19.301   1.723   2.650
   56   2HG   PRO   8          HG1       PRO   8 -18.970   3.456   2.790
   57   1HD   PRO   8          HD2       PRO   8 -21.400   2.414   2.079
   58   2HD   PRO   8          HD1       PRO   8 -20.841   4.037   1.620
   59    H    LEU   9           HN       LEU   9 -17.636   0.699  -1.662
   60    HA   LEU   9           HA       LEU   9 -19.037  -1.767  -1.824
   61   1HB   LEU   9          HB2       LEU   9 -16.884  -2.627  -2.621
   62   2HB   LEU   9          HB1       LEU   9 -17.135  -0.999  -3.246
   63    HG   LEU   9           HG       LEU   9 -15.864  -0.597  -0.785
   64   1HD1  LEU   9          HD11      LEU   9 -15.407  -3.167  -1.073
   65   2HD1  LEU   9          HD12      LEU   9 -14.085  -2.102  -0.596
   66   3HD1  LEU   9          HD13      LEU   9 -14.226  -2.635  -2.271
   67   1HD2  LEU   9          HD21      LEU   9 -15.513   0.653  -2.897
   68   2HD2  LEU   9          HD22      LEU   9 -14.659  -0.736  -3.569
   69   3HD2  LEU   9          HD23      LEU   9 -13.980   0.136  -2.195
   70    H    ARG  10           HN       ARG  10 -18.623  -3.812  -0.718
   71    HA   ARG  10           HA       ARG  10 -17.991  -3.453   2.152
   72   1HB   ARG  10          HB2       ARG  10 -19.856  -4.895   0.654
   73   2HB   ARG  10          HB1       ARG  10 -18.730  -6.125   1.227
   74   1HG   ARG  10          HG2       ARG  10 -20.476  -5.857   2.892
   75   2HG   ARG  10          HG1       ARG  10 -18.979  -5.195   3.544
   76   1HD   ARG  10          HD2       ARG  10 -20.887  -3.667   3.984
   77   2HD   ARG  10          HD1       ARG  10 -19.723  -2.905   2.885
   78    HE   ARG  10           HE       ARG  10 -21.359  -3.015   1.182
   79   1HH1  ARG  10          HH21      ARG  10 -23.555  -3.023   3.160
   80   2HH1  ARG  10          HH22      ARG  10 -24.423  -4.472   2.773
   81   1HH2  ARG  10          HH11      ARG  10 -21.827  -5.839   0.907
   82   2HH2  ARG  10          HH12      ARG  10 -23.441  -6.071   1.489
   83    H    LYS  11           HN       LYS  11 -16.047  -4.084   2.995
   84    HA   LYS  11           HA       LYS  11 -13.982  -5.229   1.295
   85   1HB   LYS  11          HB2       LYS  11 -14.267  -4.285   4.134
   86   2HB   LYS  11          HB1       LYS  11 -12.832  -5.198   3.670
   87   1HG   LYS  11          HG2       LYS  11 -11.972  -3.253   2.916
   88   2HG   LYS  11          HG1       LYS  11 -13.148  -3.344   1.606
   89   1HD   LYS  11          HD2       LYS  11 -14.787  -2.273   3.345
   90   2HD   LYS  11          HD1       LYS  11 -13.308  -1.798   4.181
   91   1HE   LYS  11          HE2       LYS  11 -12.507  -0.772   2.002
   92   2HE   LYS  11          HE1       LYS  11 -14.133  -1.063   1.353
   93   1HZ   LYS  11          HZ1       LYS  11 -13.376   0.598   3.691
   94   2HZ   LYS  11          HZ2       LYS  11 -14.973   0.076   3.428
   95   3HZ   LYS  11          HZ3       LYS  11 -14.207   1.082   2.293
   96    HA   PRO  12           HA       PRO  12 -14.718  -9.469   2.284
   97   1HB   PRO  12          HB2       PRO  12 -12.261 -10.471   1.605
   98   2HB   PRO  12          HB1       PRO  12 -13.455  -9.945   0.405
   99   1HG   PRO  12          HG2       PRO  12 -11.024  -8.557   1.390
  100   2HG   PRO  12          HG1       PRO  12 -11.738  -8.578  -0.229
  101   1HD   PRO  12          HD2       PRO  12 -11.997  -6.508   1.567
  102   2HD   PRO  12          HD1       PRO  12 -13.116  -6.827   0.225
  103    H    SER  13           HN       SER  13 -12.631 -11.215   3.233
  104    HA   SER  13           HA       SER  13 -12.763 -10.901   6.047
  105   1HB   SER  13          HB2       SER  13 -10.879 -12.387   4.196
  106   2HB   SER  13          HB1       SER  13 -10.868 -12.611   5.942
  107    HG   SER  13           HG       SER  13 -12.713 -13.407   4.036
  108    H    ARG  14           HN       ARG  14 -10.706 -10.717   7.466
  109    HA   ARG  14           HA       ARG  14  -9.608  -8.178   7.524
  110   1HB   ARG  14          HB2       ARG  14  -9.443 -10.006   9.237
  111   2HB   ARG  14          HB1       ARG  14  -8.181 -10.754   8.258
  112   1HG   ARG  14          HG2       ARG  14  -6.703  -9.464   9.375
  113   2HG   ARG  14          HG1       ARG  14  -7.367  -8.091   8.490
  114   1HD   ARG  14          HD2       ARG  14  -9.165  -7.973  10.335
  115   2HD   ARG  14          HD1       ARG  14  -8.110  -9.058  11.261
  116    HE   ARG  14           HE       ARG  14  -7.387  -6.305  10.373
  117   1HH1  ARG  14          HH21      ARG  14  -7.440  -7.001  13.261
  118   2HH1  ARG  14          HH22      ARG  14  -5.776  -7.333  13.603
  119   1HH2  ARG  14          HH11      ARG  14  -4.891  -7.699  10.259
  120   2HH2  ARG  14          HH12      ARG  14  -4.326  -7.729  11.896
  121    HA   PRO  15           HA       PRO  15  -7.004  -8.144   3.895
  122   1HB   PRO  15          HB2       PRO  15  -5.957  -5.652   4.293
  123   2HB   PRO  15          HB1       PRO  15  -7.595  -5.924   3.666
  124   1HG   PRO  15          HG2       PRO  15  -6.717  -5.199   6.414
  125   2HG   PRO  15          HG1       PRO  15  -8.130  -4.652   5.497
  126   1HD   PRO  15          HD2       PRO  15  -8.238  -6.547   7.460
  127   2HD   PRO  15          HD1       PRO  15  -9.386  -6.459   6.106
  128    H    ILE  16           HN       ILE  16  -4.587  -7.372   3.565
  129    HA   ILE  16           HA       ILE  16  -2.841  -9.071   4.997
  130    HB   ILE  16           HB       ILE  16  -2.386  -6.510   3.428
  131   1HG1  ILE  16          HG12      ILE  16  -1.842  -9.353   2.563
  132   2HG1  ILE  16          HG11      ILE  16  -3.443  -8.637   2.382
  133   1HG2  ILE  16          HG21      ILE  16  -0.404  -6.846   4.764
  134   2HG2  ILE  16          HG22      ILE  16  -0.043  -7.420   3.137
  135   3HG2  ILE  16          HG23      ILE  16  -0.401  -8.576   4.419
  136   1HD1  ILE  16          HD11      ILE  16  -2.384  -6.736   1.126
  137   2HD1  ILE  16          HD12      ILE  16  -2.222  -8.294   0.314
  138   3HD1  ILE  16          HD13      ILE  16  -0.852  -7.609   1.190
  139    H    PHE  17           HN       PHE  17  -1.030  -8.437   6.454
  140    HA   PHE  17           HA       PHE  17  -1.871  -7.039   8.803
  141   1HB   PHE  17          HB2       PHE  17   0.046  -8.817   8.197
  142   2HB   PHE  17          HB1       PHE  17   1.028  -7.355   8.135
  143    HD1  PHE  17           HD1      PHE  17  -1.669  -8.826  10.308
  144    HD2  PHE  17           HD2      PHE  17   2.077  -6.732  10.114
  145    HE1  PHE  17           HE1      PHE  17  -1.555  -8.800  12.785
  146    HE2  PHE  17           HE2      PHE  17   2.190  -6.706  12.591
  147    HZ   PHE  17           HZ       PHE  17   0.375  -7.740  13.926
  148    H    ILE  18           HN       ILE  18  -0.229  -5.246   9.695
  149    HA   ILE  18           HA       ILE  18  -0.735  -2.809   8.307
  150    HB   ILE  18           HB       ILE  18   0.793  -1.850   9.986
  151   1HG1  ILE  18          HG12      ILE  18   1.546  -4.119  11.494
  152   2HG1  ILE  18          HG11      ILE  18   1.973  -4.486   9.824
  153   1HG2  ILE  18          HG21      ILE  18  -0.615  -4.090  11.408
  154   2HG2  ILE  18          HG22      ILE  18  -1.553  -2.876  10.539
  155   3HG2  ILE  18          HG23      ILE  18  -0.489  -2.390  11.859
  156   1HD1  ILE  18          HD11      ILE  18   2.887  -1.980   9.894
  157   2HD1  ILE  18          HD12      ILE  18   3.872  -3.332  10.452
  158   3HD1  ILE  18          HD13      ILE  18   3.005  -2.331  11.618
  159    H    ARG  19           HN       ARG  19   1.324  -1.278   7.946
  160    HA   ARG  19           HA       ARG  19   2.534  -1.975   5.508
  161   1HB   ARG  19          HB2       ARG  19   2.793   0.254   5.789
  162   2HB   ARG  19          HB1       ARG  19   2.639   0.117   7.532
  163   1HG   ARG  19          HG2       ARG  19   5.225  -0.847   6.491
  164   2HG   ARG  19          HG1       ARG  19   4.925   0.865   6.212
  165   1HD   ARG  19          HD2       ARG  19   4.836   1.367   8.486
  166   2HD   ARG  19          HD1       ARG  19   4.360  -0.283   8.933
  167    HE   ARG  19           HE       ARG  19   7.008  -0.078   7.674
  168   1HH1  ARG  19          HH11      ARG  19   7.289   1.534  10.126
  169   2HH1  ARG  19          HH12      ARG  19   7.662   0.347  11.333
  170   1HH2  ARG  19          HH21      ARG  19   6.557  -2.333   9.402
  171   2HH2  ARG  19          HH22      ARG  19   7.240  -1.856  10.922
  172    HA   PRO  20           HA       PRO  20   5.508  -4.956   6.966
  173   1HB   PRO  20          HB2       PRO  20   6.628  -5.428   4.508
  174   2HB   PRO  20          HB1       PRO  20   5.084  -6.135   5.031
  175   1HG   PRO  20          HG2       PRO  20   5.595  -3.807   3.254
  176   2HG   PRO  20          HG1       PRO  20   4.352  -5.059   3.146
  177   1HD   PRO  20          HD2       PRO  20   3.874  -2.547   4.097
  178   2HD   PRO  20          HD1       PRO  20   2.951  -3.979   4.589
  179    H    ILE  21           HN       ILE  21   7.973  -5.223   6.551
  180    HA   ILE  21           HA       ILE  21   9.268  -2.650   7.092
  181    HB   ILE  21           HB       ILE  21  10.343  -5.486   6.867
  182   1HG1  ILE  21          HG12      ILE  21  10.084  -4.424   9.548
  183   2HG1  ILE  21          HG11      ILE  21   8.529  -4.378   8.725
  184   1HG2  ILE  21          HG21      ILE  21  12.074  -4.506   8.488
  185   2HG2  ILE  21          HG22      ILE  21  11.470  -2.920   8.006
  186   3HG2  ILE  21          HG23      ILE  21  12.197  -3.989   6.806
  187   1HD1  ILE  21          HD11      ILE  21   8.914  -6.784   8.051
  188   2HD1  ILE  21          HD12      ILE  21   8.717  -6.537   9.786
  189   3HD1  ILE  21          HD13      ILE  21  10.325  -6.786   9.109
  190    H    GLY  22           HN       GLY  22  11.343  -2.123   5.957
  191   1HA   GLY  22          HA2       GLY  22  12.776  -2.344   3.973
  192   2HA   GLY  22          HA1       GLY  22  11.381  -2.970   3.099
  193    H    CYS  23           HN       CYS  23   9.431  -1.309   3.271
  194    HA   CYS  23           HA       CYS  23  10.202   1.068   1.835
  195   1HB   CYS  23          HB2       CYS  23   7.740  -0.128   3.026
  196   2HB   CYS  23          HB1       CYS  23   7.667   1.564   2.555
  197    H    ASP  24           HN       ASP  24   9.604   0.425   5.245
  198    HA   ASP  24           HA       ASP  24   9.581   3.282   5.955
  199   1HB   ASP  24          HB2       ASP  24   9.055   0.651   7.182
  200   2HB   ASP  24          HB1       ASP  24   9.784   1.818   8.280
  201    H    VAL  25           HN       VAL  25  12.045   1.654   4.787
  202    HA   VAL  25           HA       VAL  25  14.026   2.852   6.640
  203    HB   VAL  25           HB       VAL  25  14.240   0.041   5.511
  204   1HG1  VAL  25          HG11      VAL  25  15.814   0.067   7.687
  205   2HG1  VAL  25          HG12      VAL  25  15.879   1.784   7.291
  206   3HG1  VAL  25          HG13      VAL  25  16.395   0.585   6.105
  207   1HG2  VAL  25          HG21      VAL  25  12.380  -0.061   7.024
  208   2HG2  VAL  25          HG22      VAL  25  13.183   0.993   8.187
  209   3HG2  VAL  25          HG23      VAL  25  13.774  -0.649   7.931
  210    H    CYS  26           HN       CYS  26  13.531   4.220   4.500
  211    HA   CYS  26           HA       CYS  26  14.415   3.609   1.934
  212   1HB   CYS  26          HB2       CYS  26  14.674   6.120   3.610
  213   2HB   CYS  26          HB1       CYS  26  14.993   6.096   1.879
  214    H    TYR  27           HN       TYR  27  16.396   4.130   4.793
  215    HA   TYR  27           HA       TYR  27  18.871   4.079   3.126
  216   1HB   TYR  27          HB2       TYR  27  18.448   4.730   6.058
  217   2HB   TYR  27          HB1       TYR  27  19.933   4.975   5.146
  218    HD1  TYR  27           HD1      TYR  27  16.788   6.409   6.112
  219    HD2  TYR  27           HD2      TYR  27  19.834   6.529   3.083
  220    HE1  TYR  27           HE1      TYR  27  15.979   8.637   5.385
  221    HE2  TYR  27           HE2      TYR  27  19.024   8.757   2.357
  222    HH   TYR  27           HH       TYR  27  17.749  10.675   3.377
  223    H    GLY  28           HN       GLY  28  20.036   2.216   3.087
  224   1HA   GLY  28          HA2       GLY  28  21.127   0.393   4.360
  225   2HA   GLY  28          HA1       GLY  28  19.637   0.231   5.286
  226    H    ILE  29           HN       ILE  29  17.941   0.525   2.854
  227    HA   ILE  29           HA       ILE  29  18.034  -2.287   2.014
  228    HB   ILE  29           HB       ILE  29  15.895  -1.750   0.954
  229   1HG1  ILE  29          HG12      ILE  29  16.454   1.140   1.703
  230   2HG1  ILE  29          HG11      ILE  29  16.606   0.489   0.070
  231   1HG2  ILE  29          HG21      ILE  29  16.169  -0.366   3.636
  232   2HG2  ILE  29          HG22      ILE  29  15.927  -2.096   3.396
  233   3HG2  ILE  29          HG23      ILE  29  14.667  -0.956   2.926
  234   1HD1  ILE  29          HD11      ILE  29  14.178  -0.286   0.307
  235   2HD1  ILE  29          HD12      ILE  29  14.427   1.454   0.167
  236   3HD1  ILE  29          HD13      ILE  29  14.099   0.734   1.744
  237    HA   PRO  30           HA       PRO  30  19.999  -1.668  -1.844
  238   1HB   PRO  30          HB2       PRO  30  18.692  -3.492  -3.419
  239   2HB   PRO  30          HB1       PRO  30  19.887  -3.935  -2.184
  240   1HG   PRO  30          HG2       PRO  30  16.940  -4.116  -2.113
  241   2HG   PRO  30          HG1       PRO  30  18.153  -5.129  -1.328
  242   1HD   PRO  30          HD2       PRO  30  16.657  -3.156  -0.071
  243   2HD   PRO  30          HD1       PRO  30  18.167  -3.850   0.547
  244    H    SER  31           HN       SER  31  19.751  -0.685  -3.918
  245    HA   SER  31           HA       SER  31  17.741   1.298  -4.182
  246   1HB   SER  31          HB2       SER  31  20.101   0.897  -5.286
  247   2HB   SER  31          HB1       SER  31  19.157   0.120  -6.554
  248    HG   SER  31           HG       SER  31  19.003   2.138  -7.204
  249    H    SER  32           HN       SER  32  17.877  -1.996  -5.561
  250    HA   SER  32           HA       SER  32  15.631  -1.719  -7.325
  251   1HB   SER  32          HB2       SER  32  17.463  -3.561  -7.092
  252   2HB   SER  32          HB1       SER  32  16.395  -4.257  -5.877
  253    HG   SER  32           HG       SER  32  16.004  -5.069  -8.001
  254    H    THR  33           HN       THR  33  15.856  -2.865  -3.938
  255    HA   THR  33           HA       THR  33  13.014  -3.357  -3.647
  256    HB   THR  33           HB       THR  33  15.214  -2.736  -1.644
  257    HG1  THR  33           HG1      THR  33  14.082  -5.218  -2.432
  258   1HG2  THR  33          HG21      THR  33  13.466  -4.255  -0.267
  259   2HG2  THR  33          HG22      THR  33  12.338  -3.430  -1.343
  260   3HG2  THR  33          HG23      THR  33  13.388  -2.493  -0.281
  261    H    ALA  34           HN       ALA  34  15.160  -0.610  -2.916
  262    HA   ALA  34           HA       ALA  34  13.205   1.103  -1.721
  263   1HB   ALA  34          HB1       ALA  34  14.904   2.766  -1.972
  264   2HB   ALA  34          HB2       ALA  34  15.580   1.963  -3.389
  265   3HB   ALA  34          HB3       ALA  34  15.776   1.244  -1.790
  266    H    ARG  35           HN       ARG  35  14.185   0.613  -5.120
  267    HA   ARG  35           HA       ARG  35  12.668   2.774  -6.258
  268   1HB   ARG  35          HB2       ARG  35  14.497   1.427  -7.350
  269   2HB   ARG  35          HB1       ARG  35  13.376   0.071  -7.455
  270   1HG   ARG  35          HG2       ARG  35  11.884   1.335  -8.886
  271   2HG   ARG  35          HG1       ARG  35  12.837   2.802  -8.657
  272   1HD   ARG  35          HD2       ARG  35  13.609   2.005 -10.743
  273   2HD   ARG  35          HD1       ARG  35  14.812   1.343  -9.619
  274    HE   ARG  35           HE       ARG  35  13.128  -0.697  -9.569
  275   1HH1  ARG  35          HH21      ARG  35  11.505   0.410 -11.843
  276   2HH1  ARG  35          HH22      ARG  35  12.218  -0.378 -13.210
  277   1HH2  ARG  35          HH11      ARG  35  15.094  -1.319 -11.497
  278   2HH2  ARG  35          HH12      ARG  35  14.258  -1.364 -13.013
  279    H    LEU  36           HN       LEU  36  11.880  -0.651  -5.636
  280    HA   LEU  36           HA       LEU  36   9.227  -0.618  -6.756
  281   1HB   LEU  36          HB2       LEU  36  10.926  -2.498  -5.844
  282   2HB   LEU  36          HB1       LEU  36   9.919  -2.333  -4.406
  283    HG   LEU  36           HG       LEU  36   7.906  -2.587  -5.982
  284   1HD1  LEU  36          HD11      LEU  36   8.893  -2.233  -8.123
  285   2HD1  LEU  36          HD12      LEU  36   8.551  -3.961  -8.054
  286   3HD1  LEU  36          HD13      LEU  36  10.195  -3.377  -7.796
  287   1HD2  LEU  36          HD21      LEU  36   8.588  -4.377  -4.473
  288   2HD2  LEU  36          HD22      LEU  36   9.870  -4.867  -5.580
  289   3HD2  LEU  36          HD23      LEU  36   8.180  -5.079  -6.038
  290    H    CYS  37           HN       CYS  37  10.506   0.053  -3.507
  291    HA   CYS  37           HA       CYS  37   8.046   0.325  -2.087
  292   1HB   CYS  37          HB2       CYS  37  10.893   1.087  -1.826
  293   2HB   CYS  37          HB1       CYS  37   9.775   2.098  -0.919
  294    H    CYS  38           HN       CYS  38   9.842   2.609  -4.138
  295    HA   CYS  38           HA       CYS  38   8.182   4.912  -3.439
  296   1HB   CYS  38          HB2       CYS  38  10.495   5.175  -4.123
  297   2HB   CYS  38          HB1       CYS  38  10.202   4.297  -5.620
  298    H    PHE  39           HN       PHE  39   8.346   2.554  -6.085
  299    HA   PHE  39           HA       PHE  39   6.401   3.764  -7.812
  300   1HB   PHE  39          HB2       PHE  39   7.822   2.180  -8.784
  301   2HB   PHE  39          HB1       PHE  39   7.668   1.065  -7.430
  302    HD1  PHE  39           HD1      PHE  39   6.179  -0.739  -7.555
  303    HD2  PHE  39           HD2      PHE  39   5.671   2.605 -10.203
  304    HE1  PHE  39           HE1      PHE  39   4.387  -1.962  -8.757
  305    HE2  PHE  39           HE2      PHE  39   3.879   1.382 -11.404
  306    HZ   PHE  39           HZ       PHE  39   3.237  -0.901 -10.680
  307    H    ARG  40           HN       ARG  40   6.081   1.341  -5.207
  308    HA   ARG  40           HA       ARG  40   3.141   1.251  -5.669
  309   1HB   ARG  40          HB2       ARG  40   5.246  -0.491  -4.567
  310   2HB   ARG  40          HB1       ARG  40   3.732  -0.532  -3.664
  311   1HG   ARG  40          HG2       ARG  40   3.556  -0.647  -6.641
  312   2HG   ARG  40          HG1       ARG  40   4.132  -2.089  -5.805
  313   1HD   ARG  40          HD2       ARG  40   1.755  -0.842  -4.559
  314   2HD   ARG  40          HD1       ARG  40   1.476  -1.511  -6.179
  315    HE   ARG  40           HE       ARG  40   3.012  -3.435  -4.832
  316   1HH1  ARG  40          HH11      ARG  40   0.158  -3.764  -5.893
  317   2HH1  ARG  40          HH12      ARG  40  -0.675  -4.248  -4.454
  318   1HH2  ARG  40          HH21      ARG  40   1.878  -3.233  -2.324
  319   2HH2  ARG  40          HH22      ARG  40   0.304  -3.948  -2.424
  320    H    TYR  41           HN       TYR  41   5.319   1.531  -2.812
  321    HA   TYR  41           HA       TYR  41   3.138   2.550  -1.159
  322   1HB   TYR  41          HB2       TYR  41   6.111   2.167  -0.790
  323   2HB   TYR  41          HB1       TYR  41   5.065   2.778   0.488
  324    HD1  TYR  41           HD1      TYR  41   3.622   1.316   1.720
  325    HD2  TYR  41           HD2      TYR  41   5.707  -0.116  -1.753
  326    HE1  TYR  41           HE1      TYR  41   2.963  -1.011   2.283
  327    HE2  TYR  41           HE2      TYR  41   5.045  -2.439  -1.193
  328    HH   TYR  41           HH       TYR  41   4.237  -3.513   1.515
  329    H    GLY  42           HN       GLY  42   5.971   3.952  -2.773
  330   1HA   GLY  42          HA2       GLY  42   5.972   6.230  -3.586
  331   2HA   GLY  42          HA1       GLY  42   4.768   6.639  -2.371
  332    H    ASP  43           HN       ASP  43   7.281   4.706  -1.074
  333    HA   ASP  43           HA       ASP  43   8.503   7.139   0.161
  334   1HB   ASP  43          HB2       ASP  43   8.679   4.288   1.150
  335   2HB   ASP  43          HB1       ASP  43   8.926   5.764   2.065
  336    H    CYS  44           HN       CYS  44  10.828   7.109   0.498
  337    HA   CYS  44           HA       CYS  44  13.065   6.765  -0.166
  338   1HB   CYS  44          HB2       CYS  44  12.069   4.092  -1.172
  339   2HB   CYS  44          HB1       CYS  44  13.690   4.485  -0.632
  340    H    CYS  45           HN       CYS  45  11.270   8.105  -1.959
  341    HA   CYS  45           HA       CYS  45  11.705   7.094  -4.679
  342   1HB   CYS  45          HB2       CYS  45  10.505   9.568  -3.413
  343   2HB   CYS  45          HB1       CYS  45  10.617   9.377  -5.160
  344    H    HIS  46           HN       HIS  46  12.618  10.113  -2.984
  345    HA   HIS  46           HA       HIS  46  14.827  10.545  -4.912
  346   1HB   HIS  46          HB2       HIS  46  13.391  12.125  -2.788
  347   2HB   HIS  46          HB1       HIS  46  14.954  12.686  -3.381
  348    HD1  HIS  46           HD1      HIS  46  15.113  13.197  -5.992
  349    HD2  HIS  46           HD2      HIS  46  11.254  12.536  -4.557
  350    HE1  HIS  46           HE1      HIS  46  13.529  14.025  -7.787
  351    H    LEU  47           HN       LEU  47  16.247   8.817  -4.195
  352    HA   LEU  47           HA       LEU  47  17.406   9.174  -1.453
  353   1HB   LEU  47          HB2       LEU  47  16.551   6.911  -3.082
  354   2HB   LEU  47          HB1       LEU  47  18.215   6.715  -2.532
  355    HG   LEU  47           HG       LEU  47  16.148   7.643  -0.567
  356   1HD1  LEU  47          HD11      LEU  47  15.663   5.261  -0.026
  357   2HD1  LEU  47          HD12      LEU  47  16.573   4.774  -1.455
  358   3HD1  LEU  47          HD13      LEU  47  15.090   5.711  -1.632
  359   1HD2  LEU  47          HD21      LEU  47  18.488   5.739  -0.276
  360   2HD2  LEU  47          HD22      LEU  47  17.621   6.577   1.010
  361   3HD2  LEU  47          HD23      LEU  47  18.645   7.487  -0.101
  Start of MODEL    4
    1   1H    HIS   1           HT1      HIS   1  15.546   9.348  -1.219
    2   2H    HIS   1           HT2      HIS   1  16.031   7.738  -1.460
    3   3H    HIS   1           HT3      HIS   1  17.126   8.873  -0.826
    4    HA   HIS   1           HA       HIS   1  14.683   7.824   0.518
    5   1HB   HIS   1          HB2       HIS   1  16.895   6.485   0.228
    6   2HB   HIS   1          HB1       HIS   1  17.580   7.651   1.361
    7    HD1  HIS   1           HD1      HIS   1  14.817   5.059   1.127
    8    HD2  HIS   1           HD2      HIS   1  16.872   7.231   4.033
    9    HE1  HIS   1           HE1      HIS   1  14.092   4.126   3.367
   10    H    SER   2           HN       SER   2  14.308   8.765   2.625
   11    HA   SER   2           HA       SER   2  14.952  11.610   2.813
   12   1HB   SER   2          HB2       SER   2  13.638  11.261   5.007
   13   2HB   SER   2          HB1       SER   2  12.786  10.907   3.508
   14    HG   SER   2           HG       SER   2  13.034   9.304   5.489
   15    H    SER   3           HN       SER   3  16.331  12.593   4.326
   16    HA   SER   3           HA       SER   3  18.111  12.814   5.851
   17   1HB   SER   3          HB2       SER   3  17.189  10.040   6.671
   18   2HB   SER   3          HB1       SER   3  18.227  11.098   7.619
   19    HG   SER   3           HG       SER   3  15.998  11.226   8.212
   20    H    GLY   4           HN       GLY   4  20.132  12.783   4.975
   21   1HA   GLY   4          HA2       GLY   4  21.072  10.552   3.353
   22   2HA   GLY   4          HA1       GLY   4  21.991  12.004   3.745
   23    H    TYR   5           HN       TYR   5  21.047   8.814   4.931
   24    HA   TYR   5           HA       TYR   5  23.166   9.011   7.043
   25   1HB   TYR   5          HB2       TYR   5  20.519   8.490   7.311
   26   2HB   TYR   5          HB1       TYR   5  21.120   6.851   7.064
   27    HD1  TYR   5           HD1      TYR   5  22.715   5.835   8.637
   28    HD2  TYR   5           HD2      TYR   5  21.142   9.782   9.276
   29    HE1  TYR   5           HE1      TYR   5  23.521   5.778  10.980
   30    HE2  TYR   5           HE2      TYR   5  21.949   9.724  11.619
   31    HH   TYR   5           HH       TYR   5  22.484   7.523  13.323
   32    H    THR   6           HN       THR   6  24.779   7.432   7.077
   33    HA   THR   6           HA       THR   6  25.174   5.857   4.640
   34    HB   THR   6           HB       THR   6  27.018   7.017   5.782
   35    HG1  THR   6           HG1      THR   6  28.362   5.433   5.401
   36   1HG2  THR   6          HG21      THR   6  25.805   5.964   8.126
   37   2HG2  THR   6          HG22      THR   6  27.214   7.017   8.019
   38   3HG2  THR   6          HG23      THR   6  27.421   5.266   8.023
   39    H    ARG   7           HN       ARG   7  23.496   4.279   4.645
   40    HA   ARG   7           HA       ARG   7  23.975   1.963   6.411
   41   1HB   ARG   7          HB2       ARG   7  22.034   3.950   6.979
   42   2HB   ARG   7          HB1       ARG   7  21.144   2.547   6.392
   43   1HG   ARG   7          HG2       ARG   7  21.703   1.269   8.198
   44   2HG   ARG   7          HG1       ARG   7  23.327   1.949   8.303
   45   1HD   ARG   7          HD2       ARG   7  22.663   3.351   9.950
   46   2HD   ARG   7          HD1       ARG   7  21.380   4.003   8.912
   47    HE   ARG   7           HE       ARG   7  19.879   2.287   9.744
   48   1HH1  ARG   7          HH21      ARG   7  21.513   3.348  12.202
   49   2HH1  ARG   7          HH22      ARG   7  21.757   1.861  13.055
   50   1HH2  ARG   7          HH11      ARG   7  20.847  -0.136  10.359
   51   2HH2  ARG   7          HH12      ARG   7  21.378  -0.119  12.007
   52    HA   PRO   8           HA       PRO   8  22.774  -0.035   2.658
   53   1HB   PRO   8          HB2       PRO   8  22.279  -2.544   3.630
   54   2HB   PRO   8          HB1       PRO   8  23.915  -1.887   3.428
   55   1HG   PRO   8          HG2       PRO   8  22.275  -2.155   5.890
   56   2HG   PRO   8          HG1       PRO   8  24.019  -2.352   5.667
   57   1HD   PRO   8          HD2       PRO   8  22.846  -0.120   6.747
   58   2HD   PRO   8          HD1       PRO   8  24.431  -0.126   5.944
   59    H    LEU   9           HN       LEU   9  20.824   0.023   1.611
   60    HA   LEU   9           HA       LEU   9  18.320   0.169   3.140
   61   1HB   LEU   9          HB2       LEU   9  19.168   0.447   0.256
   62   2HB   LEU   9          HB1       LEU   9  17.462   0.433   0.700
   63    HG   LEU   9           HG       LEU   9  19.387   2.263   2.122
   64   1HD1  LEU   9          HD11      LEU   9  18.566   4.020   0.446
   65   2HD1  LEU   9          HD12      LEU   9  18.067   2.667  -0.568
   66   3HD1  LEU   9          HD13      LEU   9  19.767   2.875  -0.149
   67   1HD2  LEU   9          HD21      LEU   9  17.091   3.599   2.008
   68   2HD2  LEU   9          HD22      LEU   9  17.336   2.333   3.211
   69   3HD2  LEU   9          HD23      LEU   9  16.426   1.987   1.741
   70    H    ARG  10           HN       ARG  10  16.906  -1.521   3.420
   71    HA   ARG  10           HA       ARG  10  17.610  -4.199   2.536
   72   1HB   ARG  10          HB2       ARG  10  15.434  -2.857   4.108
   73   2HB   ARG  10          HB1       ARG  10  15.180  -4.515   3.564
   74   1HG   ARG  10          HG2       ARG  10  17.005  -5.338   4.800
   75   2HG   ARG  10          HG1       ARG  10  17.736  -3.740   4.958
   76   1HD   ARG  10          HD2       ARG  10  16.775  -4.203   7.104
   77   2HD   ARG  10          HD1       ARG  10  15.622  -3.108   6.317
   78    HE   ARG  10           HE       ARG  10  15.220  -6.033   5.953
   79   1HH1  ARG  10          HH21      ARG  10  13.088  -4.152   5.166
   80   2HH1  ARG  10          HH22      ARG  10  12.025  -4.170   6.534
   81   1HH2  ARG  10          HH11      ARG  10  14.380  -5.574   8.672
   82   2HH2  ARG  10          HH12      ARG  10  12.761  -4.978   8.528
   83    H    LYS  11           HN       LYS  11  17.548  -4.131   0.224
   84    HA   LYS  11           HA       LYS  11  14.825  -4.352  -0.913
   85   1HB   LYS  11          HB2       LYS  11  15.459  -1.959  -1.055
   86   2HB   LYS  11          HB1       LYS  11  16.930  -2.407  -1.918
   87   1HG   LYS  11          HG2       LYS  11  15.353  -1.771  -3.601
   88   2HG   LYS  11          HG1       LYS  11  15.421  -3.533  -3.644
   89   1HD   LYS  11          HD2       LYS  11  13.444  -3.358  -1.907
   90   2HD   LYS  11          HD1       LYS  11  13.245  -1.747  -2.597
   91   1HE   LYS  11          HE2       LYS  11  13.604  -3.872  -4.622
   92   2HE   LYS  11          HE1       LYS  11  12.119  -4.020  -3.663
   93   1HZ   LYS  11          HZ1       LYS  11  13.066  -1.577  -5.074
   94   2HZ   LYS  11          HZ2       LYS  11  11.698  -1.646  -4.066
   95   3HZ   LYS  11          HZ3       LYS  11  11.736  -2.535  -5.514
   96    HA   PRO  12           HA       PRO  12  17.499  -7.466  -2.802
   97   1HB   PRO  12          HB2       PRO  12  15.480  -9.213  -3.396
   98   2HB   PRO  12          HB1       PRO  12  16.209  -9.095  -1.784
   99   1HG   PRO  12          HG2       PRO  12  13.618  -8.056  -2.767
  100   2HG   PRO  12          HG1       PRO  12  14.064  -8.652  -1.163
  101   1HD   PRO  12          HD2       PRO  12  13.821  -5.984  -1.879
  102   2HD   PRO  12          HD1       PRO  12  14.692  -6.593  -0.457
  103    H    SER  13           HN       SER  13  16.642  -8.880  -5.018
  104    HA   SER  13           HA       SER  13  16.432  -6.770  -7.064
  105   1HB   SER  13          HB2       SER  13  16.958  -8.655  -8.572
  106   2HB   SER  13          HB1       SER  13  18.067  -8.627  -7.205
  107    HG   SER  13           HG       SER  13  16.655 -10.641  -7.962
  108    H    ARG  14           HN       ARG  14  14.845  -6.990  -8.844
  109    HA   ARG  14           HA       ARG  14  12.691  -7.312  -9.736
  110   1HB   ARG  14          HB2       ARG  14  13.413  -9.706  -9.071
  111   2HB   ARG  14          HB1       ARG  14  12.359  -9.493  -7.675
  112   1HG   ARG  14          HG2       ARG  14  10.705  -8.646  -9.658
  113   2HG   ARG  14          HG1       ARG  14  11.659  -9.841 -10.534
  114   1HD   ARG  14          HD2       ARG  14  10.996 -11.602  -9.085
  115   2HD   ARG  14          HD1       ARG  14  10.426 -10.471  -7.841
  116    HE   ARG  14           HE       ARG  14   9.112 -10.401 -10.513
  117   1HH1  ARG  14          HH21      ARG  14   8.149  -8.990  -7.974
  118   2HH1  ARG  14          HH22      ARG  14   6.832 -10.015  -7.505
  119   1HH2  ARG  14          HH11      ARG  14   7.809 -12.648  -9.556
  120   2HH2  ARG  14          HH12      ARG  14   6.639 -12.096  -8.405
  121    HA   PRO  15           HA       PRO  15  10.361  -4.837  -6.868
  122   1HB   PRO  15          HB2       PRO  15   8.111  -4.545  -8.401
  123   2HB   PRO  15          HB1       PRO  15   9.612  -3.648  -8.706
  124   1HG   PRO  15          HG2       PRO  15   8.556  -6.084 -10.059
  125   2HG   PRO  15          HG1       PRO  15   9.365  -4.670 -10.754
  126   1HD   PRO  15          HD2       PRO  15  10.632  -7.029 -10.325
  127   2HD   PRO  15          HD1       PRO  15  11.462  -5.459 -10.258
  128    H    ILE  16           HN       ILE  16   8.339  -5.036  -5.620
  129    HA   ILE  16           HA       ILE  16   7.709  -7.788  -4.925
  130    HB   ILE  16           HB       ILE  16   6.154  -6.666  -3.323
  131   1HG1  ILE  16          HG12      ILE  16   7.116  -3.972  -4.128
  132   2HG1  ILE  16          HG11      ILE  16   5.924  -4.710  -5.199
  133   1HG2  ILE  16          HG21      ILE  16   8.323  -4.900  -2.801
  134   2HG2  ILE  16          HG22      ILE  16   8.999  -6.360  -3.524
  135   3HG2  ILE  16          HG23      ILE  16   8.006  -6.473  -2.071
  136   1HD1  ILE  16          HD11      ILE  16   5.331  -4.952  -2.310
  137   2HD1  ILE  16          HD12      ILE  16   4.255  -4.567  -3.653
  138   3HD1  ILE  16          HD13      ILE  16   5.274  -3.311  -2.951
  139    H    PHE  17           HN       PHE  17   5.240  -8.318  -4.637
  140    HA   PHE  17           HA       PHE  17   4.055  -8.595  -7.224
  141   1HB   PHE  17          HB2       PHE  17   2.426  -9.813  -6.053
  142   2HB   PHE  17          HB1       PHE  17   3.814  -9.923  -4.979
  143    HD1  PHE  17           HD1      PHE  17   0.456  -9.637  -4.837
  144    HD2  PHE  17           HD2      PHE  17   3.913  -7.451  -3.517
  145    HE1  PHE  17           HE1      PHE  17  -0.882  -8.613  -3.019
  146    HE2  PHE  17           HE2      PHE  17   2.572  -6.427  -1.703
  147    HZ   PHE  17           HZ       PHE  17   0.174  -7.008  -1.453
  148    H    ILE  18           HN       ILE  18   1.745  -7.813  -7.685
  149    HA   ILE  18           HA       ILE  18   1.686  -4.917  -7.691
  150    HB   ILE  18           HB       ILE  18  -0.421  -5.244  -8.891
  151   1HG1  ILE  18          HG12      ILE  18  -0.228  -8.187  -8.196
  152   2HG1  ILE  18          HG11      ILE  18  -1.229  -7.059  -7.284
  153   1HG2  ILE  18          HG21      ILE  18   1.210  -7.593  -9.787
  154   2HG2  ILE  18          HG22      ILE  18   1.943  -5.990  -9.826
  155   3HG2  ILE  18          HG23      ILE  18   0.473  -6.310 -10.746
  156   1HD1  ILE  18          HD11      ILE  18  -2.289  -6.410  -9.521
  157   2HD1  ILE  18          HD12      ILE  18  -2.681  -8.019  -8.915
  158   3HD1  ILE  18          HD13      ILE  18  -1.485  -7.828 -10.197
  159    H    ARG  19           HN       ARG  19  -0.562  -3.869  -7.038
  160    HA   ARG  19           HA       ARG  19  -0.735  -3.833  -4.210
  161   1HB   ARG  19          HB2       ARG  19  -2.420  -2.231  -4.574
  162   2HB   ARG  19          HB1       ARG  19  -1.481  -2.152  -6.060
  163   1HG   ARG  19          HG2       ARG  19  -3.963  -3.866  -5.759
  164   2HG   ARG  19          HG1       ARG  19  -3.997  -2.219  -6.378
  165   1HD   ARG  19          HD2       ARG  19  -2.323  -2.917  -8.140
  166   2HD   ARG  19          HD1       ARG  19  -2.554  -4.592  -7.599
  167    HE   ARG  19           HE       ARG  19  -4.969  -2.993  -8.306
  168   1HH1  ARG  19          HH21      ARG  19  -5.257  -5.879  -7.831
  169   2HH1  ARG  19          HH22      ARG  19  -5.188  -6.552  -9.425
  170   1HH2  ARG  19          HH11      ARG  19  -3.785  -3.707 -10.843
  171   2HH2  ARG  19          HH12      ARG  19  -4.348  -5.317 -11.137
  172    HA   PRO  20           HA       PRO  20  -3.103  -7.458  -3.354
  173   1HB   PRO  20          HB2       PRO  20  -3.892  -6.773  -0.818
  174   2HB   PRO  20          HB1       PRO  20  -2.257  -7.347  -1.214
  175   1HG   PRO  20          HG2       PRO  20  -3.236  -4.572  -0.767
  176   2HG   PRO  20          HG1       PRO  20  -1.712  -5.322  -0.276
  177   1HD   PRO  20          HD2       PRO  20  -1.917  -3.661  -2.413
  178   2HD   PRO  20          HD1       PRO  20  -0.726  -4.970  -2.312
  179    H    ILE  21           HN       ILE  21  -5.358  -7.955  -2.377
  180    HA   ILE  21           HA       ILE  21  -7.365  -6.510  -3.882
  181    HB   ILE  21           HB       ILE  21  -7.123  -8.900  -2.116
  182   1HG1  ILE  21          HG12      ILE  21  -6.877  -8.899  -4.617
  183   2HG1  ILE  21          HG11      ILE  21  -8.119  -9.991  -4.019
  184   1HG2  ILE  21          HG21      ILE  21  -9.808  -7.638  -2.759
  185   2HG2  ILE  21          HG22      ILE  21  -9.108  -7.810  -1.149
  186   3HG2  ILE  21          HG23      ILE  21  -9.570  -9.242  -2.067
  187   1HD1  ILE  21          HD11      ILE  21  -8.892  -7.191  -4.765
  188   2HD1  ILE  21          HD12      ILE  21  -9.864  -8.662  -4.799
  189   3HD1  ILE  21          HD13      ILE  21  -8.646  -8.381  -6.042
  190    H    GLY  22           HN       GLY  22  -9.373  -5.696  -2.832
  191   1HA   GLY  22          HA2       GLY  22 -10.506  -4.797  -0.852
  192   2HA   GLY  22          HA1       GLY  22  -8.924  -4.516  -0.132
  193    H    CYS  23           HN       CYS  23  -7.498  -3.109  -1.796
  194    HA   CYS  23           HA       CYS  23  -8.800  -0.512  -1.927
  195   1HB   CYS  23          HB2       CYS  23  -6.146  -1.704  -2.655
  196   2HB   CYS  23          HB1       CYS  23  -6.514  -0.059  -3.149
  197    H    ASP  24           HN       ASP  24  -8.167  -3.067  -4.268
  198    HA   ASP  24           HA       ASP  24  -8.740  -1.399  -6.604
  199   1HB   ASP  24          HB2       ASP  24  -7.557  -3.878  -6.026
  200   2HB   ASP  24          HB1       ASP  24  -8.997  -4.277  -6.960
  201    H    VAL  25           HN       VAL  25 -10.796  -2.266  -4.221
  202    HA   VAL  25           HA       VAL  25 -13.113  -2.473  -6.062
  203    HB   VAL  25           HB       VAL  25 -12.776  -4.156  -3.556
  204   1HG1  VAL  25          HG11      VAL  25 -15.042  -4.153  -4.086
  205   2HG1  VAL  25          HG12      VAL  25 -14.483  -5.543  -5.016
  206   3HG1  VAL  25          HG13      VAL  25 -14.743  -3.993  -5.817
  207   1HG2  VAL  25          HG21      VAL  25 -12.008  -4.764  -6.419
  208   2HG2  VAL  25          HG22      VAL  25 -12.391  -6.046  -5.270
  209   3HG2  VAL  25          HG23      VAL  25 -11.033  -4.964  -4.962
  210    H    CYS  26           HN       CYS  26 -12.773  -0.094  -5.200
  211    HA   CYS  26           HA       CYS  26 -13.241   0.782  -2.590
  212   1HB   CYS  26          HB2       CYS  26 -14.049   1.810  -5.311
  213   2HB   CYS  26          HB1       CYS  26 -14.409   2.732  -3.856
  214    H    TYR  27           HN       TYR  27 -15.541  -0.711  -4.782
  215    HA   TYR  27           HA       TYR  27 -17.789  -0.028  -2.938
  216   1HB   TYR  27          HB2       TYR  27 -17.974  -1.308  -5.669
  217   2HB   TYR  27          HB1       TYR  27 -19.206  -0.385  -4.818
  218    HD1  TYR  27           HD1      TYR  27 -16.555  -0.245  -7.212
  219    HD2  TYR  27           HD2      TYR  27 -18.679   2.116  -4.318
  220    HE1  TYR  27           HE1      TYR  27 -15.762   1.825  -8.319
  221    HE2  TYR  27           HE2      TYR  27 -17.884   4.187  -5.427
  222    HH   TYR  27           HH       TYR  27 -15.619   4.657  -7.027
  223    H    GLY  28           HN       GLY  28 -18.493  -1.625  -1.592
  224   1HA   GLY  28          HA2       GLY  28 -19.354  -3.939  -1.390
  225   2HA   GLY  28          HA1       GLY  28 -17.998  -4.466  -2.381
  226    H    ILE  29           HN       ILE  29 -16.139  -2.613  -0.859
  227    HA   ILE  29           HA       ILE  29 -15.484  -4.523   1.262
  228    HB   ILE  29           HB       ILE  29 -13.477  -3.137   1.505
  229   1HG1  ILE  29          HG12      ILE  29 -14.797  -1.236  -0.462
  230   2HG1  ILE  29          HG11      ILE  29 -14.646  -0.936   1.269
  231   1HG2  ILE  29          HG21      ILE  29 -13.581  -4.726  -0.374
  232   2HG2  ILE  29          HG22      ILE  29 -12.625  -3.306  -0.795
  233   3HG2  ILE  29          HG23      ILE  29 -14.273  -3.470  -1.400
  234   1HD1  ILE  29          HD11      ILE  29 -12.418  -1.208  -0.761
  235   2HD1  ILE  29          HD12      ILE  29 -12.134  -1.263   0.979
  236   3HD1  ILE  29          HD13      ILE  29 -12.803   0.192   0.241
  237    HA   PRO  30           HA       PRO  30 -17.226  -2.378   4.650
  238   1HB   PRO  30          HB2       PRO  30 -15.364  -2.852   6.607
  239   2HB   PRO  30          HB1       PRO  30 -16.499  -4.079   6.010
  240   1HG   PRO  30          HG2       PRO  30 -13.623  -3.723   5.429
  241   2HG   PRO  30          HG1       PRO  30 -14.584  -5.200   5.509
  242   1HD   PRO  30          HD2       PRO  30 -13.778  -3.952   3.171
  243   2HD   PRO  30          HD1       PRO  30 -15.115  -5.109   3.302
  244    H    SER  31           HN       SER  31 -17.037  -0.466   5.967
  245    HA   SER  31           HA       SER  31 -15.646   1.727   4.827
  246   1HB   SER  31          HB2       SER  31 -17.670   1.558   6.452
  247   2HB   SER  31          HB1       SER  31 -16.456   1.555   7.728
  248    HG   SER  31           HG       SER  31 -17.367   3.663   6.919
  249    H    SER  32           HN       SER  32 -14.740  -0.352   7.594
  250    HA   SER  32           HA       SER  32 -12.464   1.150   8.452
  251   1HB   SER  32          HB2       SER  32 -13.740  -0.868   9.501
  252   2HB   SER  32          HB1       SER  32 -12.665  -1.863   8.524
  253    HG   SER  32           HG       SER  32 -12.022  -1.190  10.786
  254    H    THR  33           HN       THR  33 -12.728  -1.553   6.119
  255    HA   THR  33           HA       THR  33  -9.908  -1.570   5.435
  256    HB   THR  33           HB       THR  33 -12.392  -2.502   3.955
  257    HG1  THR  33           HG1      THR  33 -10.543  -4.016   5.477
  258   1HG2  THR  33          HG21      THR  33  -9.490  -2.676   3.354
  259   2HG2  THR  33          HG22      THR  33 -10.872  -2.688   2.258
  260   3HG2  THR  33          HG23      THR  33 -10.420  -4.157   3.123
  261    H    ALA  34           HN       ALA  34 -12.811  -0.031   4.075
  262    HA   ALA  34           HA       ALA  34 -11.589   1.133   1.763
  263   1HB   ALA  34          HB1       ALA  34 -13.621   2.570   1.827
  264   2HB   ALA  34          HB2       ALA  34 -13.943   2.014   3.470
  265   3HB   ALA  34          HB3       ALA  34 -14.016   0.877   2.123
  266    H    ARG  35           HN       ARG  35 -11.971   2.327   5.112
  267    HA   ARG  35           HA       ARG  35 -10.949   4.979   4.628
  268   1HB   ARG  35          HB2       ARG  35 -12.251   4.150   6.632
  269   2HB   ARG  35          HB1       ARG  35 -10.799   3.297   7.154
  270   1HG   ARG  35          HG2       ARG  35  -9.735   5.743   6.761
  271   2HG   ARG  35          HG1       ARG  35 -11.388   6.216   7.155
  272   1HD   ARG  35          HD2       ARG  35 -10.273   6.129   9.263
  273   2HD   ARG  35          HD1       ARG  35 -11.154   4.592   9.175
  274    HE   ARG  35           HE       ARG  35  -8.697   4.075   7.947
  275   1HH1  ARG  35          HH21      ARG  35  -7.663   6.104   9.938
  276   2HH1  ARG  35          HH22      ARG  35  -7.258   5.095  11.285
  277   1HH2  ARG  35          HH11      ARG  35  -9.113   2.382  10.145
  278   2HH2  ARG  35          HH12      ARG  35  -8.085   2.979  11.406
  279    H    LEU  36           HN       LEU  36  -9.396   1.928   5.637
  280    HA   LEU  36           HA       LEU  36  -6.734   2.999   5.946
  281   1HB   LEU  36          HB2       LEU  36  -7.934   0.713   6.617
  282   2HB   LEU  36          HB1       LEU  36  -7.266   0.178   5.075
  283    HG   LEU  36           HG       LEU  36  -5.048   1.265   5.973
  284   1HD1  LEU  36          HD11      LEU  36  -6.376   2.169   7.999
  285   2HD1  LEU  36          HD12      LEU  36  -4.824   1.399   8.327
  286   3HD1  LEU  36          HD13      LEU  36  -6.324   0.514   8.605
  287   1HD2  LEU  36          HD21      LEU  36  -5.296  -1.123   5.534
  288   2HD2  LEU  36          HD22      LEU  36  -6.201  -1.336   7.033
  289   3HD2  LEU  36          HD23      LEU  36  -4.490  -0.907   7.088
  290    H    CYS  37           HN       CYS  37  -8.494   1.554   3.210
  291    HA   CYS  37           HA       CYS  37  -6.326   1.375   1.353
  292   1HB   CYS  37          HB2       CYS  37  -9.279   1.348   1.372
  293   2HB   CYS  37          HB1       CYS  37  -8.571   1.888  -0.145
  294    H    CYS  38           HN       CYS  38  -8.377   4.093   2.332
  295    HA   CYS  38           HA       CYS  38  -7.405   5.857   0.187
  296   1HB   CYS  38          HB2       CYS  38  -9.675   6.076   1.015
  297   2HB   CYS  38          HB1       CYS  38  -9.107   6.211   2.677
  298    H    PHE  39           HN       PHE  39  -6.871   5.347   3.654
  299    HA   PHE  39           HA       PHE  39  -5.111   7.599   4.071
  300   1HB   PHE  39          HB2       PHE  39  -6.135   6.767   5.995
  301   2HB   PHE  39          HB1       PHE  39  -5.930   5.090   5.503
  302    HD1  PHE  39           HD1      PHE  39  -4.168   3.814   6.377
  303    HD2  PHE  39           HD2      PHE  39  -3.959   8.101   6.550
  304    HE1  PHE  39           HE1      PHE  39  -2.106   3.659   7.745
  305    HE2  PHE  39           HE2      PHE  39  -1.896   7.945   7.917
  306    HZ   PHE  39           HZ       PHE  39  -0.969   5.724   8.514
  307    H    ARG  40           HN       ARG  40  -4.564   4.194   3.198
  308    HA   ARG  40           HA       ARG  40  -1.624   4.614   3.284
  309   1HB   ARG  40          HB2       ARG  40  -3.542   2.362   3.385
  310   2HB   ARG  40          HB1       ARG  40  -2.029   2.021   2.552
  311   1HG   ARG  40          HG2       ARG  40  -1.916   3.440   5.186
  312   2HG   ARG  40          HG1       ARG  40  -2.220   1.703   5.176
  313   1HD   ARG  40          HD2       ARG  40  -0.042   1.267   4.723
  314   2HD   ARG  40          HD1       ARG  40  -0.058   2.384   3.344
  315    HE   ARG  40           HE       ARG  40   0.237   4.244   5.040
  316   1HH1  ARG  40          HH11      ARG  40  -0.189   2.409   7.437
  317   2HH1  ARG  40          HH12      ARG  40   1.437   2.195   7.991
  318   1HH2  ARG  40          HH21      ARG  40   2.871   3.357   5.046
  319   2HH2  ARG  40          HH22      ARG  40   3.177   2.733   6.632
  320    H    TYR  41           HN       TYR  41  -3.973   3.223   0.936
  321    HA   TYR  41           HA       TYR  41  -2.016   3.518  -1.237
  322   1HB   TYR  41          HB2       TYR  41  -4.864   2.525  -1.046
  323   2HB   TYR  41          HB1       TYR  41  -3.933   2.510  -2.540
  324    HD1  TYR  41           HD1      TYR  41  -2.275   0.854  -2.958
  325    HD2  TYR  41           HD2      TYR  41  -4.049   1.200   0.940
  326    HE1  TYR  41           HE1      TYR  41  -1.229  -1.292  -2.293
  327    HE2  TYR  41           HE2      TYR  41  -2.996  -0.944   1.608
  328    HH   TYR  41           HH       TYR  41  -0.648  -2.250   0.541
  329    H    GLY  42           HN       GLY  42  -5.049   5.046  -0.229
  330   1HA   GLY  42          HA2       GLY  42  -5.505   7.381  -0.716
  331   2HA   GLY  42          HA1       GLY  42  -4.482   7.253  -2.142
  332    H    ASP  43           HN       ASP  43  -6.559   4.546  -1.781
  333    HA   ASP  43           HA       ASP  43  -8.324   5.621  -3.938
  334   1HB   ASP  43          HB2       ASP  43  -8.219   2.728  -3.169
  335   2HB   ASP  43          HB1       ASP  43  -8.429   3.445  -4.756
  336    H    CYS  44           HN       CYS  44 -10.620   5.028  -3.824
  337    HA   CYS  44           HA       CYS  44 -12.699   4.883  -2.715
  338   1HB   CYS  44          HB2       CYS  44 -11.175   3.486  -0.512
  339   2HB   CYS  44          HB1       CYS  44 -12.838   3.223  -1.004
  340    H    CYS  45           HN       CYS  45 -11.048   7.226  -2.291
  341    HA   CYS  45           HA       CYS  45 -11.165   7.926   0.558
  342   1HB   CYS  45          HB2       CYS  45 -10.401   9.295  -2.028
  343   2HB   CYS  45          HB1       CYS  45 -10.430  10.170  -0.499
  344    H    HIS  46           HN       HIS  46 -12.606   9.341  -2.401
  345    HA   HIS  46           HA       HIS  46 -14.759  10.564  -0.771
  346   1HB   HIS  46          HB2       HIS  46 -13.481  10.939  -3.424
  347   2HB   HIS  46          HB1       HIS  46 -15.206  11.300  -3.363
  348    HD1  HIS  46           HD1      HIS  46 -15.876  12.897  -1.176
  349    HD2  HIS  46           HD2      HIS  46 -11.942  13.056  -2.550
  350    HE1  HIS  46           HE1      HIS  46 -14.881  15.039  -0.259
  351    H    LEU  47           HN       LEU  47 -15.903   8.558  -0.266
  352    HA   LEU  47           HA       LEU  47 -17.316   7.335  -2.613
  353   1HB   LEU  47          HB2       LEU  47 -15.638   6.190  -0.718
  354   2HB   LEU  47          HB1       LEU  47 -17.246   5.824  -0.094
  355    HG   LEU  47           HG       LEU  47 -17.649   5.229  -2.694
  356   1HD1  LEU  47          HD11      LEU  47 -15.099   5.813  -2.966
  357   2HD1  LEU  47          HD12      LEU  47 -15.758   4.398  -3.786
  358   3HD1  LEU  47          HD13      LEU  47 -14.852   4.205  -2.285
  359   1HD2  LEU  47          HD21      LEU  47 -16.306   3.369  -0.705
  360   2HD2  LEU  47          HD22      LEU  47 -17.329   2.887  -2.058
  361   3HD2  LEU  47          HD23      LEU  47 -18.023   3.771  -0.699
  Start of MODEL    5
    1   1H    HIS   1           HT1      HIS   1  16.087  16.983  15.585
    2   2H    HIS   1           HT2      HIS   1  14.871  16.046  16.314
    3   3H    HIS   1           HT3      HIS   1  14.555  17.655  15.869
    4    HA   HIS   1           HA       HIS   1  13.548  16.147  14.266
    5   1HB   HIS   1          HB2       HIS   1  14.623  18.407  13.738
    6   2HB   HIS   1          HB1       HIS   1  16.016  17.503  13.144
    7    HD1  HIS   1           HD1      HIS   1  12.573  18.530  12.236
    8    HD2  HIS   1           HD2      HIS   1  15.426  15.835  10.826
    9    HE1  HIS   1           HE1      HIS   1  11.811  17.821   9.928
   10    H    SER   2           HN       SER   2  13.677  14.122  13.354
   11    HA   SER   2           HA       SER   2  16.261  12.975  12.526
   12   1HB   SER   2          HB2       SER   2  15.569  12.670  15.133
   13   2HB   SER   2          HB1       SER   2  14.737  11.280  14.441
   14    HG   SER   2           HG       SER   2  16.603  10.362  14.124
   15    H    SER   3           HN       SER   3  15.669  12.194  10.537
   16    HA   SER   3           HA       SER   3  12.954  11.425   9.855
   17   1HB   SER   3          HB2       SER   3  15.600  10.955   8.444
   18   2HB   SER   3          HB1       SER   3  14.007  10.862   7.698
   19    HG   SER   3           HG       SER   3  13.759  13.028   7.963
   20    H    GLY   4           HN       GLY   4  12.105   9.331   9.598
   21   1HA   GLY   4          HA2       GLY   4  13.545   7.174  11.004
   22   2HA   GLY   4          HA1       GLY   4  11.859   7.126  10.493
   23    H    TYR   5           HN       TYR   5  14.925   5.960   9.788
   24    HA   TYR   5           HA       TYR   5  14.036   5.143   7.049
   25   1HB   TYR   5          HB2       TYR   5  16.265   5.584   6.227
   26   2HB   TYR   5          HB1       TYR   5  15.745   7.014   7.112
   27    HD1  TYR   5           HD1      TYR   5  18.055   4.173   7.042
   28    HD2  TYR   5           HD2      TYR   5  16.661   7.506   9.369
   29    HE1  TYR   5           HE1      TYR   5  20.038   3.974   8.517
   30    HE2  TYR   5           HE2      TYR   5  18.644   7.304  10.843
   31    HH   TYR   5           HH       TYR   5  21.301   5.978  10.179
   32    H    THR   6           HN       THR   6  14.420   2.989   6.548
   33    HA   THR   6           HA       THR   6  16.108   1.347   8.374
   34    HB   THR   6           HB       THR   6  13.201   0.800   7.671
   35    HG1  THR   6           HG1      THR   6  13.032   2.191   9.266
   36   1HG2  THR   6          HG21      THR   6  13.529  -1.001   9.454
   37   2HG2  THR   6          HG22      THR   6  15.262  -0.723   9.274
   38   3HG2  THR   6          HG23      THR   6  14.313  -1.296   7.902
   39    H    ARG   7           HN       ARG   7  17.435   0.166   7.040
   40    HA   ARG   7           HA       ARG   7  16.580  -0.352   4.244
   41   1HB   ARG   7          HB2       ARG   7  18.895   0.581   5.368
   42   2HB   ARG   7          HB1       ARG   7  19.277  -1.129   5.169
   43   1HG   ARG   7          HG2       ARG   7  18.062  -0.540   2.772
   44   2HG   ARG   7          HG1       ARG   7  18.916   0.963   3.127
   45   1HD   ARG   7          HD2       ARG   7  21.018  -0.057   3.060
   46   2HD   ARG   7          HD1       ARG   7  20.362  -1.658   3.458
   47    HE   ARG   7           HE       ARG   7  19.484  -1.811   1.176
   48   1HH1  ARG   7          HH11      ARG   7  22.464  -0.884   1.038
   49   2HH1  ARG   7          HH12      ARG   7  22.357   0.277  -0.243
   50   1HH2  ARG   7          HH21      ARG   7  18.886   0.468  -0.126
   51   2HH2  ARG   7          HH22      ARG   7  20.321   1.046  -0.906
   52    HA   PRO   8           HA       PRO   8  15.759  -4.554   5.506
   53   1HB   PRO   8          HB2       PRO   8  15.012  -5.473   3.043
   54   2HB   PRO   8          HB1       PRO   8  13.952  -4.483   4.065
   55   1HG   PRO   8          HG2       PRO   8  15.555  -3.708   1.692
   56   2HG   PRO   8          HG1       PRO   8  13.975  -3.122   2.231
   57   1HD   PRO   8          HD2       PRO   8  16.356  -1.772   2.574
   58   2HD   PRO   8          HD1       PRO   8  14.891  -1.507   3.544
   59    H    LEU   9           HN       LEU   9  16.749  -6.648   5.140
   60    HA   LEU   9           HA       LEU   9  19.495  -6.496   4.110
   61   1HB   LEU   9          HB2       LEU   9  18.606  -7.676   6.228
   62   2HB   LEU   9          HB1       LEU   9  18.006  -8.924   5.136
   63    HG   LEU   9           HG       LEU   9  20.533  -8.719   4.210
   64   1HD1  LEU   9          HD11      LEU   9  22.033  -8.548   6.218
   65   2HD1  LEU   9          HD12      LEU   9  20.643  -7.994   7.153
   66   3HD1  LEU   9          HD13      LEU   9  21.239  -7.028   5.803
   67   1HD2  LEU   9          HD21      LEU   9  19.426 -10.788   4.953
   68   2HD2  LEU   9          HD22      LEU   9  19.649 -10.315   6.638
   69   3HD2  LEU   9          HD23      LEU   9  21.050 -10.686   5.633
   70    H    ARG  10           HN       ARG  10  18.189  -6.015   1.911
   71    HA   ARG  10           HA       ARG  10  18.658  -8.270   0.154
   72   1HB   ARG  10          HB2       ARG  10  16.090  -7.986   1.441
   73   2HB   ARG  10          HB1       ARG  10  15.894  -7.732  -0.293
   74   1HG   ARG  10          HG2       ARG  10  17.557 -10.040   0.671
   75   2HG   ARG  10          HG1       ARG  10  15.799 -10.175   0.693
   76   1HD   ARG  10          HD2       ARG  10  17.023  -9.112  -1.816
   77   2HD   ARG  10          HD1       ARG  10  17.229 -10.843  -1.485
   78    HE   ARG  10           HE       ARG  10  14.620 -10.666  -0.989
   79   1HH1  ARG  10          HH11      ARG  10  15.696 -11.258  -3.813
   80   2HH1  ARG  10          HH12      ARG  10  14.732 -10.172  -4.757
   81   1HH2  ARG  10          HH21      ARG  10  13.689  -8.301  -2.019
   82   2HH2  ARG  10          HH22      ARG  10  13.593  -8.491  -3.738
   83    H    LYS  11           HN       LYS  11  19.058  -7.422  -1.887
   84    HA   LYS  11           HA       LYS  11  17.953  -4.717  -2.528
   85   1HB   LYS  11          HB2       LYS  11  20.762  -5.736  -2.395
   86   2HB   LYS  11          HB1       LYS  11  20.376  -4.561  -3.652
   87   1HG   LYS  11          HG2       LYS  11  19.647  -2.941  -2.045
   88   2HG   LYS  11          HG1       LYS  11  19.654  -4.132  -0.744
   89   1HD   LYS  11          HD2       LYS  11  21.666  -2.975  -0.390
   90   2HD   LYS  11          HD1       LYS  11  22.187  -4.388  -1.308
   91   1HE   LYS  11          HE2       LYS  11  21.927  -2.959  -3.418
   92   2HE   LYS  11          HE1       LYS  11  21.772  -1.563  -2.333
   93   1HZ   LYS  11          HZ1       LYS  11  23.858  -2.158  -1.291
   94   2HZ   LYS  11          HZ2       LYS  11  24.095  -1.974  -2.963
   95   3HZ   LYS  11          HZ3       LYS  11  24.006  -3.527  -2.282
   96    HA   PRO  12           HA       PRO  12  17.188  -7.554  -6.045
   97   1HB   PRO  12          HB2       PRO  12  14.651  -6.669  -6.556
   98   2HB   PRO  12          HB1       PRO  12  15.014  -7.909  -5.342
   99   1HG   PRO  12          HG2       PRO  12  14.360  -5.046  -4.982
  100   2HG   PRO  12          HG1       PRO  12  13.991  -6.430  -3.946
  101   1HD   PRO  12          HD2       PRO  12  16.020  -4.587  -3.513
  102   2HD   PRO  12          HD1       PRO  12  15.914  -6.197  -2.773
  103    H    SER  13           HN       SER  13  15.753  -6.556  -8.204
  104    HA   SER  13           HA       SER  13  17.529  -4.423  -9.194
  105   1HB   SER  13          HB2       SER  13  16.921  -6.515 -10.452
  106   2HB   SER  13          HB1       SER  13  15.258  -5.940 -10.523
  107    HG   SER  13           HG       SER  13  15.976  -5.029 -12.297
  108    H    ARG  14           HN       ARG  14  15.760  -3.182 -11.017
  109    HA   ARG  14           HA       ARG  14  14.664  -1.028  -9.559
  110   1HB   ARG  14          HB2       ARG  14  15.212  -1.235 -12.030
  111   2HB   ARG  14          HB1       ARG  14  13.694  -2.112 -12.221
  112   1HG   ARG  14          HG2       ARG  14  12.393  -0.227 -11.625
  113   2HG   ARG  14          HG1       ARG  14  13.775   0.607 -10.912
  114   1HD   ARG  14          HD2       ARG  14  13.529   1.697 -12.997
  115   2HD   ARG  14          HD1       ARG  14  14.770   0.479 -13.348
  116    HE   ARG  14           HE       ARG  14  12.439  -0.898 -13.835
  117   1HH1  ARG  14          HH21      ARG  14  11.092   1.708 -14.392
  118   2HH1  ARG  14          HH22      ARG  14  11.384   1.925 -16.085
  119   1HH2  ARG  14          HH11      ARG  14  13.940  -0.426 -16.214
  120   2HH2  ARG  14          HH12      ARG  14  13.002   0.713 -17.120
  121    HA   PRO  15           HA       PRO  15  11.072  -3.090  -7.860
  122   1HB   PRO  15          HB2       PRO  15  10.034  -0.891  -6.603
  123   2HB   PRO  15          HB1       PRO  15  11.399  -1.824  -5.957
  124   1HG   PRO  15          HG2       PRO  15  11.404   0.754  -7.445
  125   2HG   PRO  15          HG1       PRO  15  12.399   0.241  -6.073
  126   1HD   PRO  15          HD2       PRO  15  13.294   0.262  -8.644
  127   2HD   PRO  15          HD1       PRO  15  13.905  -0.855  -7.403
  128    H    ILE  16           HN       ILE  16   8.700  -2.814  -8.034
  129    HA   ILE  16           HA       ILE  16   7.880  -1.943 -10.688
  130    HB   ILE  16           HB       ILE  16   6.294  -2.871  -8.265
  131   1HG1  ILE  16          HG12      ILE  16   6.736  -4.784 -10.434
  132   2HG1  ILE  16          HG11      ILE  16   8.246  -4.263  -9.690
  133   1HG2  ILE  16          HG21      ILE  16   4.776  -3.720 -10.199
  134   2HG2  ILE  16          HG22      ILE  16   5.633  -2.537 -11.187
  135   3HG2  ILE  16          HG23      ILE  16   4.711  -2.008  -9.779
  136   1HD1  ILE  16          HD11      ILE  16   7.404  -6.200  -8.481
  137   2HD1  ILE  16          HD12      ILE  16   5.837  -5.420  -8.259
  138   3HD1  ILE  16          HD13      ILE  16   7.265  -4.778  -7.447
  139    H    PHE  17           HN       PHE  17   5.950  -0.447 -10.960
  140    HA   PHE  17           HA       PHE  17   6.413   2.160  -9.967
  141   1HB   PHE  17          HB2       PHE  17   4.006   0.753 -11.146
  142   2HB   PHE  17          HB1       PHE  17   4.004   2.481 -10.806
  143    HD1  PHE  17           HD1      PHE  17   5.014  -0.091 -13.114
  144    HD2  PHE  17           HD2      PHE  17   5.850   3.929 -11.848
  145    HE1  PHE  17           HE1      PHE  17   6.208   0.333 -15.245
  146    HE2  PHE  17           HE2      PHE  17   7.046   4.351 -13.980
  147    HZ   PHE  17           HZ       PHE  17   7.225   2.552 -15.677
  148    H    ILE  18           HN       ILE  18   5.273   3.415  -8.386
  149    HA   ILE  18           HA       ILE  18   4.625   2.053  -5.927
  150    HB   ILE  18           HB       ILE  18   4.147   4.316  -5.127
  151   1HG1  ILE  18          HG12      ILE  18   4.224   5.101  -8.059
  152   2HG1  ILE  18          HG11      ILE  18   2.783   5.065  -7.047
  153   1HG2  ILE  18          HG21      ILE  18   6.288   5.184  -5.401
  154   2HG2  ILE  18          HG22      ILE  18   6.362   4.741  -7.106
  155   3HG2  ILE  18          HG23      ILE  18   6.542   3.502  -5.865
  156   1HD1  ILE  18          HD11      ILE  18   4.126   6.664  -5.485
  157   2HD1  ILE  18          HD12      ILE  18   3.419   7.325  -6.959
  158   3HD1  ILE  18          HD13      ILE  18   5.139   6.936  -6.903
  159    H    ARG  19           HN       ARG  19   2.493   2.494  -4.774
  160    HA   ARG  19           HA       ARG  19   0.245   1.884  -6.614
  161   1HB   ARG  19          HB2       ARG  19  -0.587   0.588  -4.880
  162   2HB   ARG  19          HB1       ARG  19   1.130   0.517  -4.504
  163   1HG   ARG  19          HG2       ARG  19  -0.710   2.607  -3.311
  164   2HG   ARG  19          HG1       ARG  19  -0.422   1.047  -2.549
  165   1HD   ARG  19          HD2       ARG  19   2.070   1.570  -2.650
  166   2HD   ARG  19          HD1       ARG  19   1.612   3.225  -3.099
  167    HE   ARG  19           HE       ARG  19   0.725   1.897  -0.560
  168   1HH1  ARG  19          HH21      ARG  19  -0.723   4.367  -1.660
  169   2HH1  ARG  19          HH22      ARG  19   0.038   5.626  -0.749
  170   1HH2  ARG  19          HH11      ARG  19   2.695   3.631   0.276
  171   2HH2  ARG  19          HH12      ARG  19   1.981   5.206   0.360
  172    HA   PRO  20           HA       PRO  20  -1.643   5.784  -5.918
  173   1HB   PRO  20          HB2       PRO  20  -4.288   5.088  -6.111
  174   2HB   PRO  20          HB1       PRO  20  -3.200   5.200  -7.509
  175   1HG   PRO  20          HG2       PRO  20  -4.118   2.796  -6.016
  176   2HG   PRO  20          HG1       PRO  20  -3.864   3.017  -7.752
  177   1HD   PRO  20          HD2       PRO  20  -2.090   1.730  -6.138
  178   2HD   PRO  20          HD1       PRO  20  -1.621   2.599  -7.613
  179    H    ILE  21           HN       ILE  21  -3.525   6.774  -4.557
  180    HA   ILE  21           HA       ILE  21  -3.117   5.983  -1.759
  181    HB   ILE  21           HB       ILE  21  -4.099   8.295  -3.357
  182   1HG1  ILE  21          HG12      ILE  21  -1.780   7.986  -2.389
  183   2HG1  ILE  21          HG11      ILE  21  -2.576   9.495  -1.964
  184   1HG2  ILE  21          HG21      ILE  21  -4.906   7.917  -0.456
  185   2HG2  ILE  21          HG22      ILE  21  -6.007   7.957  -1.833
  186   3HG2  ILE  21          HG23      ILE  21  -5.096   9.400  -1.390
  187   1HD1  ILE  21          HD11      ILE  21  -1.401   8.069  -0.087
  188   2HD1  ILE  21          HD12      ILE  21  -2.888   7.124  -0.152
  189   3HD1  ILE  21          HD13      ILE  21  -2.952   8.841   0.243
  190    H    GLY  22           HN       GLY  22  -5.065   5.972  -0.296
  191   1HA   GLY  22          HA2       GLY  22  -7.455   5.591   0.029
  192   2HA   GLY  22          HA1       GLY  22  -7.523   4.898  -1.587
  193    H    CYS  23           HN       CYS  23  -5.808   2.980  -1.764
  194    HA   CYS  23           HA       CYS  23  -6.735   0.876  -0.024
  195   1HB   CYS  23          HB2       CYS  23  -4.725   1.245  -2.205
  196   2HB   CYS  23          HB1       CYS  23  -4.652  -0.235  -1.261
  197    H    ASP  24           HN       ASP  24  -3.913   2.985   0.077
  198    HA   ASP  24           HA       ASP  24  -2.526   1.365   2.096
  199   1HB   ASP  24          HB2       ASP  24  -1.782   3.170   0.209
  200   2HB   ASP  24          HB1       ASP  24  -1.818   4.209   1.632
  201    H    VAL  25           HN       VAL  25  -5.318   2.948   2.426
  202    HA   VAL  25           HA       VAL  25  -4.728   3.819   5.201
  203    HB   VAL  25           HB       VAL  25  -6.462   5.380   3.257
  204   1HG1  VAL  25          HG11      VAL  25  -7.045   6.084   5.393
  205   2HG1  VAL  25          HG12      VAL  25  -5.715   7.187   5.040
  206   3HG1  VAL  25          HG13      VAL  25  -5.439   5.768   6.049
  207   1HG2  VAL  25          HG21      VAL  25  -4.456   7.007   3.295
  208   2HG2  VAL  25          HG22      VAL  25  -4.297   5.568   2.288
  209   3HG2  VAL  25          HG23      VAL  25  -3.509   5.633   3.864
  210    H    CYS  26           HN       CYS  26  -5.745   1.463   5.062
  211    HA   CYS  26           HA       CYS  26  -8.396   0.865   4.441
  212   1HB   CYS  26          HB2       CYS  26  -6.584   0.044   6.720
  213   2HB   CYS  26          HB1       CYS  26  -8.155  -0.708   6.472
  214    H    TYR  27           HN       TYR  27  -7.215   2.863   7.081
  215    HA   TYR  27           HA       TYR  27  -9.962   3.008   8.240
  216   1HB   TYR  27          HB2       TYR  27  -7.350   4.055   9.362
  217   2HB   TYR  27          HB1       TYR  27  -8.849   3.770  10.238
  218    HD1  TYR  27           HD1      TYR  27  -5.704   2.381   9.308
  219    HD2  TYR  27           HD2      TYR  27  -9.768   1.314  10.207
  220    HE1  TYR  27           HE1      TYR  27  -4.990   0.053   9.779
  221    HE2  TYR  27           HE2      TYR  27  -9.052  -1.013  10.677
  222    HH   TYR  27           HH       TYR  27  -6.474  -2.020  11.467
  223    H    GLY  28           HN       GLY  28 -11.138   4.809   7.788
  224   1HA   GLY  28          HA2       GLY  28 -11.230   7.294   7.841
  225   2HA   GLY  28          HA1       GLY  28  -9.683   7.300   6.999
  226    H    ILE  29           HN       ILE  29 -10.541   5.058   5.203
  227    HA   ILE  29           HA       ILE  29 -11.857   6.723   3.186
  228    HB   ILE  29           HB       ILE  29 -11.427   4.801   1.726
  229   1HG1  ILE  29          HG12      ILE  29 -10.533   3.344   4.237
  230   2HG1  ILE  29          HG11      ILE  29 -12.058   3.049   3.401
  231   1HG2  ILE  29          HG21      ILE  29  -9.550   6.306   2.256
  232   2HG2  ILE  29          HG22      ILE  29  -8.987   4.654   2.004
  233   3HG2  ILE  29          HG23      ILE  29  -9.129   5.299   3.640
  234   1HD1  ILE  29          HD11      ILE  29  -9.254   2.584   2.364
  235   2HD1  ILE  29          HD12      ILE  29 -10.662   2.615   1.302
  236   3HD1  ILE  29          HD13      ILE  29 -10.543   1.399   2.574
  237    HA   PRO  30           HA       PRO  30 -15.947   5.280   3.698
  238   1HB   PRO  30          HB2       PRO  30 -16.825   5.156   1.103
  239   2HB   PRO  30          HB1       PRO  30 -16.591   6.672   1.995
  240   1HG   PRO  30          HG2       PRO  30 -14.902   5.420  -0.079
  241   2HG   PRO  30          HG1       PRO  30 -15.157   7.126   0.291
  242   1HD   PRO  30          HD2       PRO  30 -12.919   5.660   1.010
  243   2HD   PRO  30          HD1       PRO  30 -13.428   7.182   1.764
  244    H    SER  31           HN       SER  31 -17.336   3.443   3.486
  245    HA   SER  31           HA       SER  31 -16.123   0.891   3.481
  246   1HB   SER  31          HB2       SER  31 -18.346   1.639   4.429
  247   2HB   SER  31          HB1       SER  31 -18.995   1.580   2.795
  248    HG   SER  31           HG       SER  31 -18.810  -0.570   2.783
  249    H    SER  32           HN       SER  32 -17.859   2.559   0.837
  250    HA   SER  32           HA       SER  32 -17.824   0.398  -1.035
  251   1HB   SER  32          HB2       SER  32 -19.025   2.736  -0.990
  252   2HB   SER  32          HB1       SER  32 -17.576   3.296  -1.821
  253    HG   SER  32           HG       SER  32 -19.419   2.473  -3.134
  254    H    THR  33           HN       THR  33 -15.503   3.090  -0.557
  255    HA   THR  33           HA       THR  33 -13.698   2.266  -2.657
  256    HB   THR  33           HB       THR  33 -13.272   3.839  -0.095
  257    HG1  THR  33           HG1      THR  33 -13.678   4.764  -2.745
  258   1HG2  THR  33          HG21      THR  33 -11.474   4.848  -1.849
  259   2HG2  THR  33          HG22      THR  33 -11.498   3.165  -2.376
  260   3HG2  THR  33          HG23      THR  33 -11.088   3.560  -0.707
  261    H    ALA  34           HN       ALA  34 -13.883   1.588   0.834
  262    HA   ALA  34           HA       ALA  34 -11.461   0.100   1.092
  263   1HB   ALA  34          HB1       ALA  34 -14.125  -0.129   2.535
  264   2HB   ALA  34          HB2       ALA  34 -12.819   0.977   2.958
  265   3HB   ALA  34          HB3       ALA  34 -12.592  -0.764   3.133
  266    H    ARG  35           HN       ARG  35 -14.778  -0.938   0.226
  267    HA   ARG  35           HA       ARG  35 -14.241  -3.758   0.128
  268   1HB   ARG  35          HB2       ARG  35 -16.241  -1.948  -1.268
  269   2HB   ARG  35          HB1       ARG  35 -16.274  -3.702  -1.430
  270   1HG   ARG  35          HG2       ARG  35 -16.031  -2.941   1.361
  271   2HG   ARG  35          HG1       ARG  35 -17.447  -2.190   0.627
  272   1HD   ARG  35          HD2       ARG  35 -18.550  -4.167   0.655
  273   2HD   ARG  35          HD1       ARG  35 -17.240  -4.943  -0.255
  274    HE   ARG  35           HE       ARG  35 -16.043  -5.190   1.963
  275   1HH1  ARG  35          HH11      ARG  35 -18.295  -3.433   3.263
  276   2HH1  ARG  35          HH12      ARG  35 -19.116  -4.648   4.183
  277   1HH2  ARG  35          HH21      ARG  35 -17.582  -7.302   2.537
  278   2HH2  ARG  35          HH22      ARG  35 -18.711  -6.850   3.770
  279    H    LEU  36           HN       LEU  36 -14.047  -1.217  -2.377
  280    HA   LEU  36           HA       LEU  36 -13.294  -2.951  -4.552
  281   1HB   LEU  36          HB2       LEU  36 -14.095  -0.419  -4.359
  282   2HB   LEU  36          HB1       LEU  36 -12.360  -0.107  -4.322
  283    HG   LEU  36           HG       LEU  36 -13.462  -1.946  -6.423
  284   1HD1  LEU  36          HD11      LEU  36 -13.689   1.065  -6.346
  285   2HD1  LEU  36          HD12      LEU  36 -14.930  -0.119  -6.757
  286   3HD1  LEU  36          HD13      LEU  36 -13.600   0.188  -7.874
  287   1HD2  LEU  36          HD21      LEU  36 -11.064  -0.197  -5.985
  288   2HD2  LEU  36          HD22      LEU  36 -11.571  -0.534  -7.640
  289   3HD2  LEU  36          HD23      LEU  36 -11.142  -1.861  -6.562
  290    H    CYS  37           HN       CYS  37 -11.430  -1.133  -2.124
  291    HA   CYS  37           HA       CYS  37  -8.805  -1.609  -3.164
  292   1HB   CYS  37          HB2       CYS  37 -10.115  -0.713  -0.677
  293   2HB   CYS  37          HB1       CYS  37  -8.546  -1.467  -0.428
  294    H    CYS  38           HN       CYS  38 -10.982  -3.616  -1.237
  295    HA   CYS  38           HA       CYS  38  -8.900  -5.604  -0.601
  296   1HB   CYS  38          HB2       CYS  38 -10.663  -5.116   1.001
  297   2HB   CYS  38          HB1       CYS  38 -11.906  -5.422  -0.207
  298    H    PHE  39           HN       PHE  39 -11.663  -5.226  -2.790
  299    HA   PHE  39           HA       PHE  39 -11.619  -7.896  -3.883
  300   1HB   PHE  39          HB2       PHE  39 -13.625  -6.683  -4.089
  301   2HB   PHE  39          HB1       PHE  39 -12.795  -5.217  -4.601
  302    HD1  PHE  39           HD1      PHE  39 -13.668  -8.681  -5.675
  303    HD2  PHE  39           HD2      PHE  39 -12.427  -4.755  -6.900
  304    HE1  PHE  39           HE1      PHE  39 -14.018  -9.311  -8.047
  305    HE2  PHE  39           HE2      PHE  39 -12.777  -5.385  -9.272
  306    HZ   PHE  39           HZ       PHE  39 -13.572  -7.663  -9.846
  307    H    ARG  40           HN       ARG  40 -10.082  -4.834  -4.858
  308    HA   ARG  40           HA       ARG  40  -8.902  -6.167  -7.237
  309   1HB   ARG  40          HB2       ARG  40  -9.498  -3.411  -6.311
  310   2HB   ARG  40          HB1       ARG  40  -8.075  -3.589  -7.332
  311   1HG   ARG  40          HG2       ARG  40 -10.444  -5.082  -8.267
  312   2HG   ARG  40          HG1       ARG  40 -10.626  -3.328  -8.288
  313   1HD   ARG  40          HD2       ARG  40  -9.604  -3.569 -10.346
  314   2HD   ARG  40          HD1       ARG  40  -8.133  -3.540  -9.354
  315    HE   ARG  40           HE       ARG  40  -8.860  -6.190  -9.254
  316   1HH1  ARG  40          HH21      ARG  40 -10.259  -5.733 -11.880
  317   2HH1  ARG  40          HH22      ARG  40  -9.010  -6.106 -13.020
  318   1HH2  ARG  40          HH11      ARG  40  -6.453  -5.889 -10.670
  319   2HH2  ARG  40          HH12      ARG  40  -6.841  -6.194 -12.331
  320    H    TYR  41           HN       TYR  41  -7.665  -4.039  -4.603
  321    HA   TYR  41           HA       TYR  41  -4.918  -4.901  -5.126
  322   1HB   TYR  41          HB2       TYR  41  -6.251  -3.150  -3.055
  323   2HB   TYR  41          HB1       TYR  41  -4.511  -3.407  -3.121
  324    HD1  TYR  41           HD1      TYR  41  -3.146  -2.355  -4.786
  325    HD2  TYR  41           HD2      TYR  41  -7.427  -2.040  -4.961
  326    HE1  TYR  41           HE1      TYR  41  -2.945  -0.594  -6.519
  327    HE2  TYR  41           HE2      TYR  41  -7.226  -0.282  -6.698
  328    HH   TYR  41           HH       TYR  41  -4.928   0.228  -8.541
  329    H    GLY  42           HN       GLY  42  -7.362  -5.520  -2.629
  330   1HA   GLY  42          HA2       GLY  42  -7.443  -7.638  -1.447
  331   2HA   GLY  42          HA1       GLY  42  -5.712  -7.814  -1.702
  332    H    ASP  43           HN       ASP  43  -6.570  -4.633  -0.751
  333    HA   ASP  43           HA       ASP  43  -5.558  -5.188   2.003
  334   1HB   ASP  43          HB2       ASP  43  -5.845  -2.439   0.835
  335   2HB   ASP  43          HB1       ASP  43  -4.633  -3.046   1.947
  336    H    CYS  44           HN       CYS  44  -6.599  -4.007   3.779
  337    HA   CYS  44           HA       CYS  44  -8.483  -3.302   5.016
  338   1HB   CYS  44          HB2       CYS  44  -9.583  -2.401   2.344
  339   2HB   CYS  44          HB1       CYS  44  -9.913  -1.712   3.924
  340    H    CYS  45           HN       CYS  45  -8.390  -6.007   4.061
  341    HA   CYS  45           HA       CYS  45 -11.098  -6.681   3.085
  342   1HB   CYS  45          HB2       CYS  45  -8.550  -8.188   3.717
  343   2HB   CYS  45          HB1       CYS  45 -10.035  -9.017   3.262
  344    H    HIS  46           HN       HIS  46  -9.046  -7.776   5.810
  345    HA   HIS  46           HA       HIS  46 -11.463  -8.518   7.353
  346   1HB   HIS  46          HB2       HIS  46  -8.474  -8.873   7.746
  347   2HB   HIS  46          HB1       HIS  46  -9.680  -9.465   8.887
  348    HD1  HIS  46           HD1      HIS  46  -7.950 -10.368   5.795
  349    HD2  HIS  46           HD2      HIS  46 -11.553 -11.404   7.620
  350    HE1  HIS  46           HE1      HIS  46  -8.746 -12.488   4.660
  351    H    LEU  47           HN       LEU  47 -12.193  -6.285   7.753
  352    HA   LEU  47           HA       LEU  47 -10.548  -4.862   9.821
  353   1HB   LEU  47          HB2       LEU  47 -11.032  -3.990   7.318
  354   2HB   LEU  47          HB1       LEU  47 -12.502  -3.405   8.097
  355    HG   LEU  47           HG       LEU  47  -9.813  -2.907   9.360
  356   1HD1  LEU  47          HD11      LEU  47  -9.802  -0.704   8.176
  357   2HD1  LEU  47          HD12      LEU  47 -11.155  -1.263   7.191
  358   3HD1  LEU  47          HD13      LEU  47  -9.590  -2.069   7.079
  359   1HD2  LEU  47          HD21      LEU  47 -12.536  -1.575   9.415
  360   2HD2  LEU  47          HD22      LEU  47 -11.100  -0.869  10.157
  361   3HD2  LEU  47          HD23      LEU  47 -11.726  -2.410  10.740
  Start of MODEL    6
    1   1H    HIS   1           HT1      HIS   1 -11.568   5.754  14.773
    2   2H    HIS   1           HT2      HIS   1 -10.485   6.806  13.996
    3   3H    HIS   1           HT3      HIS   1 -10.054   5.185  14.267
    4    HA   HIS   1           HA       HIS   1 -12.328   6.012  12.533
    5   1HB   HIS   1          HB2       HIS   1 -10.791   5.744  10.679
    6   2HB   HIS   1          HB1       HIS   1 -10.042   6.845  11.833
    7    HD1  HIS   1           HD1      HIS   1  -7.914   6.045  13.039
    8    HD2  HIS   1           HD2      HIS   1  -9.592   3.125  10.579
    9    HE1  HIS   1           HE1      HIS   1  -6.218   4.170  12.891
   10    H    SER   2           HN       SER   2 -12.740   4.127  10.970
   11    HA   SER   2           HA       SER   2 -12.888   1.615  12.523
   12   1HB   SER   2          HB2       SER   2 -14.730   2.769  11.104
   13   2HB   SER   2          HB1       SER   2 -13.869   2.125   9.709
   14    HG   SER   2           HG       SER   2 -15.609   0.880  11.214
   15    H    SER   3           HN       SER   3 -11.175   0.215  12.374
   16    HA   SER   3           HA       SER   3  -9.302   0.318  10.110
   17   1HB   SER   3          HB2       SER   3  -9.529  -1.404  12.597
   18   2HB   SER   3          HB1       SER   3  -8.169  -1.461  11.480
   19    HG   SER   3           HG       SER   3  -7.521   0.465  12.152
   20    H    GLY   4           HN       GLY   4 -10.342  -0.501   8.259
   21   1HA   GLY   4          HA2       GLY   4 -10.336  -3.162   7.598
   22   2HA   GLY   4          HA1       GLY   4 -11.915  -2.963   8.360
   23    H    TYR   5           HN       TYR   5 -13.247  -3.109   6.546
   24    HA   TYR   5           HA       TYR   5 -12.646  -1.797   4.029
   25   1HB   TYR   5          HB2       TYR   5 -14.709  -2.742   3.342
   26   2HB   TYR   5          HB1       TYR   5 -14.127  -3.861   4.569
   27    HD1  TYR   5           HD1      TYR   5 -16.710  -1.465   3.655
   28    HD2  TYR   5           HD2      TYR   5 -15.082  -3.770   6.896
   29    HE1  TYR   5           HE1      TYR   5 -18.790  -1.109   4.957
   30    HE2  TYR   5           HE2      TYR   5 -17.162  -3.410   8.196
   31    HH   TYR   5           HH       TYR   5 -19.195  -1.191   7.832
   32    H    THR   6           HN       THR   6 -13.086   0.297   3.441
   33    HA   THR   6           HA       THR   6 -15.080   1.873   4.999
   34    HB   THR   6           HB       THR   6 -12.220   2.748   4.462
   35    HG1  THR   6           HG1      THR   6 -11.918   1.365   6.049
   36   1HG2  THR   6          HG21      THR   6 -13.455   4.708   4.713
   37   2HG2  THR   6          HG22      THR   6 -12.980   4.376   6.378
   38   3HG2  THR   6          HG23      THR   6 -14.603   3.963   5.825
   39    H    ARG   7           HN       ARG   7 -16.326   3.033   3.582
   40    HA   ARG   7           HA       ARG   7 -17.071   4.033   1.583
   41   1HB   ARG   7          HB2       ARG   7 -15.017   5.393   2.403
   42   2HB   ARG   7          HB1       ARG   7 -14.152   4.605   1.085
   43   1HG   ARG   7          HG2       ARG   7 -16.062   5.400  -0.434
   44   2HG   ARG   7          HG1       ARG   7 -16.546   6.439   0.906
   45   1HD   ARG   7          HD2       ARG   7 -14.864   7.909   0.490
   46   2HD   ARG   7          HD1       ARG   7 -13.669   6.606   0.345
   47    HE   ARG   7           HE       ARG   7 -15.519   6.710  -1.915
   48   1HH1  ARG   7          HH11      ARG   7 -14.271   9.444  -1.774
   49   2HH1  ARG   7          HH12      ARG   7 -12.842   9.238  -2.731
   50   1HH2  ARG   7          HH21      ARG   7 -12.952   5.764  -2.610
   51   2HH2  ARG   7          HH22      ARG   7 -12.092   7.143  -3.207
   52    HA   PRO   8           HA       PRO   8 -15.783   0.311  -0.829
   53   1HB   PRO   8          HB2       PRO   8 -18.335  -0.424  -1.501
   54   2HB   PRO   8          HB1       PRO   8 -17.542  -0.927   0.005
   55   1HG   PRO   8          HG2       PRO   8 -19.538   1.232  -0.453
   56   2HG   PRO   8          HG1       PRO   8 -19.381   0.108   0.906
   57   1HD   PRO   8          HD2       PRO   8 -18.553   2.704   0.997
   58   2HD   PRO   8          HD1       PRO   8 -17.822   1.411   1.970
   59    H    LEU   9           HN       LEU   9 -15.770   0.103  -3.118
   60    HA   LEU   9           HA       LEU   9 -17.207   2.175  -4.706
   61   1HB   LEU   9          HB2       LEU   9 -14.742   2.682  -3.888
   62   2HB   LEU   9          HB1       LEU   9 -14.297   1.585  -5.192
   63    HG   LEU   9           HG       LEU   9 -14.353   4.022  -5.853
   64   1HD1  LEU   9          HD11      LEU   9 -16.493   2.680  -7.441
   65   2HD1  LEU   9          HD12      LEU   9 -14.935   1.863  -7.323
   66   3HD1  LEU   9          HD13      LEU   9 -15.028   3.493  -7.989
   67   1HD2  LEU   9          HD21      LEU   9 -16.320   5.257  -5.846
   68   2HD2  LEU   9          HD22      LEU   9 -16.559   4.276  -4.400
   69   3HD2  LEU   9          HD23      LEU   9 -17.345   3.824  -5.912
   70    H    ARG  10           HN       ARG  10 -17.995   1.307  -6.605
   71    HA   ARG  10           HA       ARG  10 -17.697  -1.514  -7.181
   72   1HB   ARG  10          HB2       ARG  10 -19.678   0.036  -7.615
   73   2HB   ARG  10          HB1       ARG  10 -18.760   0.694  -8.969
   74   1HG   ARG  10          HG2       ARG  10 -18.510  -1.888  -9.588
   75   2HG   ARG  10          HG1       ARG  10 -20.002  -2.008  -8.654
   76   1HD   ARG  10          HD2       ARG  10 -21.113  -0.397 -10.090
   77   2HD   ARG  10          HD1       ARG  10 -19.597  -0.055 -10.948
   78    HE   ARG  10           HE       ARG  10 -19.681  -2.649 -11.431
   79   1HH1  ARG  10          HH21      ARG  10 -21.027  -0.974 -13.473
   80   2HH1  ARG  10          HH22      ARG  10 -22.619  -1.653 -13.539
   81   1HH2  ARG  10          HH11      ARG  10 -22.311  -3.327 -10.507
   82   2HH2  ARG  10          HH12      ARG  10 -23.349  -2.991 -11.852
   83    H    LYS  11           HN       LYS  11 -15.443  -1.874  -7.548
   84    HA   LYS  11           HA       LYS  11 -14.475  -1.000 -10.223
   85   1HB   LYS  11          HB2       LYS  11 -13.723   0.535  -8.330
   86   2HB   LYS  11          HB1       LYS  11 -12.820  -0.837  -7.689
   87   1HG   LYS  11          HG2       LYS  11 -11.399  -0.931  -9.584
   88   2HG   LYS  11          HG1       LYS  11 -12.476   0.083 -10.545
   89   1HD   LYS  11          HD2       LYS  11 -10.752   1.565  -9.917
   90   2HD   LYS  11          HD1       LYS  11 -12.028   1.900  -8.747
   91   1HE   LYS  11          HE2       LYS  11 -10.145   1.673  -7.352
   92   2HE   LYS  11          HE1       LYS  11 -10.802   0.025  -7.327
   93   1HZ   LYS  11          HZ1       LYS  11  -8.487  -0.094  -7.892
   94   2HZ   LYS  11          HZ2       LYS  11  -8.669   1.065  -9.121
   95   3HZ   LYS  11          HZ3       LYS  11  -9.387  -0.466  -9.280
   96    HA   PRO  12           HA       PRO  12 -13.530  -5.386  -9.744
   97   1HB   PRO  12          HB2       PRO  12 -13.449  -5.946 -12.417
   98   2HB   PRO  12          HB1       PRO  12 -14.964  -5.822 -11.502
   99   1HG   PRO  12          HG2       PRO  12 -13.740  -3.914 -13.392
  100   2HG   PRO  12          HG1       PRO  12 -15.443  -4.198 -13.012
  101   1HD   PRO  12          HD2       PRO  12 -13.872  -2.089 -12.071
  102   2HD   PRO  12          HD1       PRO  12 -15.451  -2.585 -11.433
  103    H    SER  13           HN       SER  13 -11.761  -6.761 -10.902
  104    HA   SER  13           HA       SER  13  -9.449  -7.120 -11.183
  105   1HB   SER  13          HB2       SER  13 -10.507  -5.706 -13.237
  106   2HB   SER  13          HB1       SER  13  -9.265  -4.578 -12.710
  107    HG   SER  13           HG       SER  13  -8.906  -6.616 -14.241
  108    H    ARG  14           HN       ARG  14 -10.252  -5.459  -8.839
  109    HA   ARG  14           HA       ARG  14  -7.681  -4.632  -7.900
  110   1HB   ARG  14          HB2       ARG  14  -8.966  -2.830  -9.690
  111   2HB   ARG  14          HB1       ARG  14  -9.078  -2.114  -8.084
  112   1HG   ARG  14          HG2       ARG  14  -6.811  -1.828  -7.900
  113   2HG   ARG  14          HG1       ARG  14  -6.449  -3.296  -8.808
  114   1HD   ARG  14          HD2       ARG  14  -7.450  -1.938 -10.846
  115   2HD   ARG  14          HD1       ARG  14  -7.037  -0.534  -9.841
  116    HE   ARG  14           HE       ARG  14  -4.713  -1.190  -9.930
  117   1HH1  ARG  14          HH21      ARG  14  -4.888  -4.122  -9.839
  118   2HH1  ARG  14          HH22      ARG  14  -4.502  -4.595 -11.460
  119   1HH2  ARG  14          HH11      ARG  14  -5.079  -1.437 -12.795
  120   2HH2  ARG  14          HH12      ARG  14  -4.612  -3.068 -13.141
  121    HA   PRO  15           HA       PRO  15 -10.166  -4.740  -4.235
  122   1HB   PRO  15          HB2       PRO  15  -8.418  -3.597  -2.471
  123   2HB   PRO  15          HB1       PRO  15  -8.228  -5.250  -3.086
  124   1HG   PRO  15          HG2       PRO  15  -6.827  -2.758  -3.896
  125   2HG   PRO  15          HG1       PRO  15  -6.207  -4.410  -3.762
  126   1HD   PRO  15          HD2       PRO  15  -6.878  -3.208  -6.132
  127   2HD   PRO  15          HD1       PRO  15  -6.873  -4.965  -5.871
  128    H    ILE  16           HN       ILE  16 -11.282  -3.292  -2.749
  129    HA   ILE  16           HA       ILE  16 -12.148  -0.805  -3.853
  130    HB   ILE  16           HB       ILE  16 -12.240  -2.035  -1.081
  131   1HG1  ILE  16          HG12      ILE  16 -14.488  -1.631  -3.064
  132   2HG1  ILE  16          HG11      ILE  16 -13.457  -3.061  -3.109
  133   1HG2  ILE  16          HG21      ILE  16 -13.610   0.466  -2.116
  134   2HG2  ILE  16          HG22      ILE  16 -12.470   0.362  -0.775
  135   3HG2  ILE  16          HG23      ILE  16 -14.067  -0.368  -0.631
  136   1HD1  ILE  16          HD11      ILE  16 -15.223  -3.766  -1.740
  137   2HD1  ILE  16          HD12      ILE  16 -15.381  -2.189  -0.967
  138   3HD1  ILE  16          HD13      ILE  16 -14.023  -3.238  -0.560
  139    H    PHE  17           HN       PHE  17 -11.619   1.376  -3.239
  140    HA   PHE  17           HA       PHE  17 -10.216   3.144  -2.555
  141   1HB   PHE  17          HB2       PHE  17 -10.773   2.314  -0.342
  142   2HB   PHE  17          HB1       PHE  17  -9.587   1.020  -0.476
  143    HD1  PHE  17           HD1      PHE  17  -9.891   4.756  -0.460
  144    HD2  PHE  17           HD2      PHE  17  -7.384   1.342   0.258
  145    HE1  PHE  17           HE1      PHE  17  -8.151   6.235   0.509
  146    HE2  PHE  17           HE2      PHE  17  -5.645   2.822   1.223
  147    HZ   PHE  17           HZ       PHE  17  -6.028   5.268   1.350
  148    H    ILE  18           HN       ILE  18  -7.867   3.774  -2.464
  149    HA   ILE  18           HA       ILE  18  -6.310   2.399  -4.483
  150    HB   ILE  18           HB       ILE  18  -4.641   4.145  -3.934
  151   1HG1  ILE  18          HG12      ILE  18  -6.508   5.099  -1.759
  152   2HG1  ILE  18          HG11      ILE  18  -5.197   3.975  -1.405
  153   1HG2  ILE  18          HG21      ILE  18  -7.425   5.327  -3.829
  154   2HG2  ILE  18          HG22      ILE  18  -6.726   4.637  -5.294
  155   3HG2  ILE  18          HG23      ILE  18  -5.976   6.042  -4.537
  156   1HD1  ILE  18          HD11      ILE  18  -4.295   6.150  -1.018
  157   2HD1  ILE  18          HD12      ILE  18  -4.987   6.780  -2.513
  158   3HD1  ILE  18          HD13      ILE  18  -3.645   5.638  -2.576
  159    H    ARG  19           HN       ARG  19  -3.754   2.245  -3.692
  160    HA   ARG  19           HA       ARG  19  -3.573  -0.181  -2.218
  161   1HB   ARG  19          HB2       ARG  19  -1.325  -0.020  -2.755
  162   2HB   ARG  19          HB1       ARG  19  -1.970   1.159  -3.889
  163   1HG   ARG  19          HG2       ARG  19  -0.627   2.716  -2.960
  164   2HG   ARG  19          HG1       ARG  19  -1.535   2.558  -1.463
  165   1HD   ARG  19          HD2       ARG  19   0.734   2.094  -0.864
  166   2HD   ARG  19          HD1       ARG  19  -0.041   0.503  -0.974
  167    HE   ARG  19           HE       ARG  19   1.392   0.056  -2.792
  168   1HH1  ARG  19          HH21      ARG  19   2.102   3.174  -1.879
  169   2HH1  ARG  19          HH22      ARG  19   2.589   3.730  -3.444
  170   1HH2  ARG  19          HH11      ARG  19   1.494   0.876  -5.092
  171   2HH2  ARG  19          HH12      ARG  19   2.250   2.424  -5.265
  172    HA   PRO  20           HA       PRO  20  -3.707   1.079   1.981
  173   1HB   PRO  20          HB2       PRO  20  -1.984  -0.737   3.108
  174   2HB   PRO  20          HB1       PRO  20  -3.627  -1.145   2.569
  175   1HG   PRO  20          HG2       PRO  20  -1.021  -1.603   1.204
  176   2HG   PRO  20          HG1       PRO  20  -2.444  -2.649   1.299
  177   1HD   PRO  20          HD2       PRO  20  -1.860  -1.164  -0.893
  178   2HD   PRO  20          HD1       PRO  20  -3.520  -1.569  -0.414
  179    H    ILE  21           HN       ILE  21  -2.221   1.699   3.850
  180    HA   ILE  21           HA       ILE  21  -0.248   3.616   2.948
  181    HB   ILE  21           HB       ILE  21  -1.550   2.702   5.473
  182   1HG1  ILE  21          HG12      ILE  21  -2.402   4.533   3.988
  183   2HG1  ILE  21          HG11      ILE  21  -2.096   5.047   5.643
  184   1HG2  ILE  21          HG21      ILE  21   0.971   4.392   5.482
  185   2HG2  ILE  21          HG22      ILE  21   0.822   2.767   6.152
  186   3HG2  ILE  21          HG23      ILE  21  -0.077   4.103   6.869
  187   1HD1  ILE  21          HD11      ILE  21  -1.162   6.380   3.462
  188   2HD1  ILE  21          HD12      ILE  21   0.204   5.317   3.796
  189   3HD1  ILE  21          HD13      ILE  21  -0.377   6.424   5.040
  190    H    GLY  22           HN       GLY  22   1.960   3.678   3.958
  191   1HA   GLY  22          HA2       GLY  22   3.887   2.509   4.896
  192   2HA   GLY  22          HA1       GLY  22   3.156   0.986   4.392
  193    H    CYS  23           HN       CYS  23   2.656   1.060   1.878
  194    HA   CYS  23           HA       CYS  23   5.179   1.131   0.495
  195   1HB   CYS  23          HB2       CYS  23   2.279   0.797  -0.193
  196   2HB   CYS  23          HB1       CYS  23   3.449   0.934  -1.496
  197    H    ASP  24           HN       ASP  24   2.554   3.465   0.808
  198    HA   ASP  24           HA       ASP  24   3.588   5.226  -1.299
  199   1HB   ASP  24          HB2       ASP  24   1.182   4.769   0.056
  200   2HB   ASP  24          HB1       ASP  24   1.691   6.361   0.606
  201    H    VAL  25           HN       VAL  25   4.992   4.517   1.516
  202    HA   VAL  25           HA       VAL  25   5.993   7.277   1.950
  203    HB   VAL  25           HB       VAL  25   5.278   5.346   4.182
  204   1HG1  VAL  25          HG11      VAL  25   6.762   6.931   5.050
  205   2HG1  VAL  25          HG12      VAL  25   5.200   7.681   5.377
  206   3HG1  VAL  25          HG13      VAL  25   6.163   8.214   3.998
  207   1HG2  VAL  25          HG21      VAL  25   3.162   5.833   3.202
  208   2HG2  VAL  25          HG22      VAL  25   3.613   7.505   2.868
  209   3HG2  VAL  25          HG23      VAL  25   3.317   6.986   4.528
  210    H    CYS  26           HN       CYS  26   7.518   5.826   0.467
  211    HA   CYS  26           HA       CYS  26   9.126   3.727   1.346
  212   1HB   CYS  26          HB2       CYS  26   9.693   6.182  -0.328
  213   2HB   CYS  26          HB1       CYS  26  10.864   4.879  -0.164
  214    H    TYR  27           HN       TYR  27   9.220   7.068   2.425
  215    HA   TYR  27           HA       TYR  27  11.756   6.552   3.911
  216   1HB   TYR  27          HB2       TYR  27  10.288   9.173   3.554
  217   2HB   TYR  27          HB1       TYR  27  11.984   8.934   3.956
  218    HD1  TYR  27           HD1      TYR  27   9.645   9.476   1.315
  219    HD2  TYR  27           HD2      TYR  27  13.442   7.669   2.195
  220    HE1  TYR  27           HE1      TYR  27  10.217   9.502  -1.096
  221    HE2  TYR  27           HE2      TYR  27  14.013   7.696  -0.218
  222    HH   TYR  27           HH       TYR  27  12.828   9.480  -2.366
  223    H    GLY  28           HN       GLY  28  11.606   6.168   6.073
  224   1HA   GLY  28          HA2       GLY  28  10.764   6.951   8.270
  225   2HA   GLY  28          HA1       GLY  28   9.180   7.143   7.525
  226    H    ILE  29           HN       ILE  29   9.505   4.534   6.042
  227    HA   ILE  29           HA       ILE  29   8.500   2.821   8.206
  228    HB   ILE  29           HB       ILE  29   7.912   1.317   6.373
  229   1HG1  ILE  29          HG12      ILE  29   9.462   3.208   4.570
  230   2HG1  ILE  29          HG11      ILE  29  10.039   1.623   5.086
  231   1HG2  ILE  29          HG21      ILE  29   6.483   3.292   6.756
  232   2HG2  ILE  29          HG22      ILE  29   6.498   2.830   5.054
  233   3HG2  ILE  29          HG23      ILE  29   7.448   4.211   5.601
  234   1HD1  ILE  29          HD11      ILE  29   8.789   0.578   3.532
  235   2HD1  ILE  29          HD12      ILE  29   8.446   2.165   2.846
  236   3HD1  ILE  29          HD13      ILE  29   7.339   1.455   4.021
  237    HA   PRO  30           HA       PRO  30  12.143   0.488   8.843
  238   1HB   PRO  30          HB2       PRO  30  11.110  -2.008   9.313
  239   2HB   PRO  30          HB1       PRO  30  11.029  -0.674  10.479
  240   1HG   PRO  30          HG2       PRO  30   8.933  -1.767   8.710
  241   2HG   PRO  30          HG1       PRO  30   8.789  -1.022  10.302
  242   1HD   PRO  30          HD2       PRO  30   8.198   0.224   7.894
  243   2HD   PRO  30          HD1       PRO  30   8.518   1.056   9.427
  244    H    SER  31           HN       SER  31  13.561  -1.079   7.875
  245    HA   SER  31           HA       SER  31  13.473  -1.305   5.051
  246   1HB   SER  31          HB2       SER  31  15.388  -1.557   6.790
  247   2HB   SER  31          HB1       SER  31  14.899  -3.246   6.868
  248    HG   SER  31           HG       SER  31  15.908  -1.764   4.687
  249    H    SER  32           HN       SER  32  12.504  -3.678   7.550
  250    HA   SER  32           HA       SER  32  11.968  -5.872   5.803
  251   1HB   SER  32          HB2       SER  32  12.053  -5.632   8.414
  252   2HB   SER  32          HB1       SER  32  10.341  -5.246   8.264
  253    HG   SER  32           HG       SER  32  11.600  -7.636   8.095
  254    H    THR  33           HN       THR  33   9.802  -3.265   6.972
  255    HA   THR  33           HA       THR  33   7.475  -4.171   5.518
  256    HB   THR  33           HB       THR  33   8.339  -1.430   6.507
  257    HG1  THR  33           HG1      THR  33   6.588  -3.340   7.668
  258   1HG2  THR  33          HG21      THR  33   6.565  -0.828   5.178
  259   2HG2  THR  33          HG22      THR  33   5.657  -1.337   6.602
  260   3HG2  THR  33          HG23      THR  33   5.840  -2.434   5.233
  261    H    ALA  34           HN       ALA  34  10.091  -1.859   4.798
  262    HA   ALA  34           HA       ALA  34   9.121  -0.944   2.270
  263   1HB   ALA  34          HB1       ALA  34  11.800  -0.720   2.036
  264   2HB   ALA  34          HB2       ALA  34  11.701  -1.047   3.767
  265   3HB   ALA  34          HB3       ALA  34  10.860   0.344   3.082
  266    H    ARG  35           HN       ARG  35  11.164  -3.734   3.161
  267    HA   ARG  35           HA       ARG  35  11.842  -4.600   0.520
  268   1HB   ARG  35          HB2       ARG  35  11.433  -6.065   3.151
  269   2HB   ARG  35          HB1       ARG  35  12.068  -6.850   1.709
  270   1HG   ARG  35          HG2       ARG  35  13.451  -4.343   2.230
  271   2HG   ARG  35          HG1       ARG  35  13.553  -5.434   3.612
  272   1HD   ARG  35          HD2       ARG  35  15.411  -6.026   2.226
  273   2HD   ARG  35          HD1       ARG  35  14.185  -7.262   1.879
  274    HE   ARG  35           HE       ARG  35  13.688  -5.107   0.117
  275   1HH1  ARG  35          HH21      ARG  35  16.685  -4.990   0.051
  276   2HH1  ARG  35          HH22      ARG  35  17.061  -6.092  -1.232
  277   1HH2  ARG  35          HH11      ARG  35  13.920  -7.583  -1.216
  278   2HH2  ARG  35          HH12      ARG  35  15.485  -7.566  -1.955
  279    H    LEU  36           HN       LEU  36   9.065  -5.432   2.613
  280    HA   LEU  36           HA       LEU  36   7.819  -7.282   0.791
  281   1HB   LEU  36          HB2       LEU  36   7.465  -6.351   3.381
  282   2HB   LEU  36          HB1       LEU  36   6.059  -5.698   2.544
  283    HG   LEU  36           HG       LEU  36   5.562  -7.923   3.470
  284   1HD1  LEU  36          HD11      LEU  36   5.835  -8.155   0.466
  285   2HD1  LEU  36          HD12      LEU  36   4.618  -7.140   1.238
  286   3HD1  LEU  36          HD13      LEU  36   4.605  -8.884   1.499
  287   1HD2  LEU  36          HD21      LEU  36   6.772  -9.884   2.831
  288   2HD2  LEU  36          HD22      LEU  36   7.993  -8.693   3.277
  289   3HD2  LEU  36          HD23      LEU  36   7.656  -9.016   1.576
  290    H    CYS  37           HN       CYS  37   7.518  -3.771   1.269
  291    HA   CYS  37           HA       CYS  37   5.318  -3.278  -0.492
  292   1HB   CYS  37          HB2       CYS  37   7.506  -1.809   0.852
  293   2HB   CYS  37          HB1       CYS  37   6.885  -1.035  -0.600
  294    H    CYS  38           HN       CYS  38   8.817  -3.575  -1.098
  295    HA   CYS  38           HA       CYS  38   8.625  -2.730  -3.892
  296   1HB   CYS  38          HB2       CYS  38  10.643  -2.369  -2.593
  297   2HB   CYS  38          HB1       CYS  38  10.748  -4.081  -2.193
  298    H    PHE  39           HN       PHE  39   8.837  -5.812  -2.133
  299    HA   PHE  39           HA       PHE  39   9.084  -7.529  -4.426
  300   1HB   PHE  39          HB2       PHE  39   9.719  -8.407  -2.338
  301   2HB   PHE  39          HB1       PHE  39   8.274  -7.796  -1.537
  302    HD1  PHE  39           HD1      PHE  39   9.392 -10.245  -4.138
  303    HD2  PHE  39           HD2      PHE  39   6.396  -9.183  -1.248
  304    HE1  PHE  39           HE1      PHE  39   8.264 -12.421  -4.509
  305    HE2  PHE  39           HE2      PHE  39   5.268 -11.360  -1.619
  306    HZ   PHE  39           HZ       PHE  39   6.201 -12.978  -3.250
  307    H    ARG  40           HN       ARG  40   6.248  -6.349  -2.612
  308    HA   ARG  40           HA       ARG  40   4.437  -7.882  -4.397
  309   1HB   ARG  40          HB2       ARG  40   4.454  -6.891  -1.694
  310   2HB   ARG  40          HB1       ARG  40   3.028  -6.287  -2.526
  311   1HG   ARG  40          HG2       ARG  40   3.034  -8.873  -3.380
  312   2HG   ARG  40          HG1       ARG  40   3.733  -9.060  -1.771
  313   1HD   ARG  40          HD2       ARG  40   1.472  -9.165  -1.224
  314   2HD   ARG  40          HD1       ARG  40   1.707  -7.409  -1.126
  315    HE   ARG  40           HE       ARG  40   0.671  -8.800  -3.575
  316   1HH1  ARG  40          HH21      ARG  40  -1.325  -7.448  -1.834
  317   2HH1  ARG  40          HH22      ARG  40  -1.439  -5.871  -2.540
  318   1HH2  ARG  40          HH11      ARG  40   1.522  -6.178  -4.339
  319   2HH2  ARG  40          HH12      ARG  40   0.180  -5.150  -3.967
  320    H    TYR  41           HN       TYR  41   4.577  -4.480  -3.216
  321    HA   TYR  41           HA       TYR  41   2.867  -3.622  -5.427
  322   1HB   TYR  41          HB2       TYR  41   4.269  -2.247  -3.139
  323   2HB   TYR  41          HB1       TYR  41   3.282  -1.378  -4.310
  324    HD1  TYR  41           HD1      TYR  41   0.868  -1.647  -4.388
  325    HD2  TYR  41           HD2      TYR  41   3.253  -3.856  -1.579
  326    HE1  TYR  41           HE1      TYR  41  -1.181  -2.260  -3.135
  327    HE2  TYR  41           HE2      TYR  41   1.202  -4.478  -0.330
  328    HH   TYR  41           HH       TYR  41  -2.028  -3.494  -1.465
  329    H    GLY  42           HN       GLY  42   6.296  -3.372  -4.588
  330   1HA   GLY  42          HA2       GLY  42   8.011  -3.179  -6.277
  331   2HA   GLY  42          HA1       GLY  42   6.827  -2.467  -7.365
  332    H    ASP  43           HN       ASP  43   6.650  -1.136  -4.199
  333    HA   ASP  43           HA       ASP  43   8.054   1.313  -5.182
  334   1HB   ASP  43          HB2       ASP  43   6.394   1.313  -2.706
  335   2HB   ASP  43          HB1       ASP  43   6.517   2.533  -3.961
  336    H    CYS  44           HN       CYS  44   9.435   2.458  -3.668
  337    HA   CYS  44           HA       CYS  44  11.129   2.610  -2.031
  338   1HB   CYS  44          HB2       CYS  44   9.645   0.363  -0.655
  339   2HB   CYS  44          HB1       CYS  44  10.616   1.618   0.094
  340    H    CYS  45           HN       CYS  45  11.504   0.857  -4.316
  341    HA   CYS  45           HA       CYS  45  12.739  -1.634  -3.397
  342   1HB   CYS  45          HB2       CYS  45  12.483  -0.126  -6.005
  343   2HB   CYS  45          HB1       CYS  45  13.428  -1.608  -5.889
  344    H    HIS  46           HN       HIS  46  14.023   1.245  -5.107
  345    HA   HIS  46           HA       HIS  46  16.756   0.595  -4.172
  346   1HB   HIS  46          HB2       HIS  46  15.938   1.353  -6.543
  347   2HB   HIS  46          HB1       HIS  46  15.933   2.970  -5.838
  348    HD1  HIS  46           HD1      HIS  46  18.301   3.701  -4.688
  349    HD2  HIS  46           HD2      HIS  46  18.449   0.505  -7.361
  350    HE1  HIS  46           HE1      HIS  46  20.732   3.426  -5.342
  351    H    LEU  47           HN       LEU  47  15.772   1.114  -1.868
  352    HA   LEU  47           HA       LEU  47  15.561   4.008  -1.279
  353   1HB   LEU  47          HB2       LEU  47  14.185   1.960  -0.351
  354   2HB   LEU  47          HB1       LEU  47  15.556   1.780   0.745
  355    HG   LEU  47           HG       LEU  47  15.234   4.342   1.169
  356   1HD1  LEU  47          HD11      LEU  47  12.878   5.059   0.930
  357   2HD1  LEU  47          HD12      LEU  47  12.498   3.534   0.130
  358   3HD1  LEU  47          HD13      LEU  47  13.591   4.684  -0.639
  359   1HD2  LEU  47          HD21      LEU  47  14.864   2.808   2.956
  360   2HD2  LEU  47          HD22      LEU  47  13.431   2.132   2.180
  361   3HD2  LEU  47          HD23      LEU  47  13.383   3.760   2.857
  Start of MODEL    7
    1   1H    HIS   1           HT1      HIS   1  26.292  14.349  -2.224
    2   2H    HIS   1           HT2      HIS   1  27.917  14.688  -2.590
    3   3H    HIS   1           HT3      HIS   1  27.523  13.806  -1.192
    4    HA   HIS   1           HA       HIS   1  26.562  12.037  -2.672
    5   1HB   HIS   1          HB2       HIS   1  27.784  13.992  -4.632
    6   2HB   HIS   1          HB1       HIS   1  27.521  12.303  -5.065
    7    HD1  HIS   1           HD1      HIS   1  25.053  11.483  -5.267
    8    HD2  HIS   1           HD2      HIS   1  25.412  15.541  -4.379
    9    HE1  HIS   1           HE1      HIS   1  22.759  12.499  -5.613
   10    H    SER   2           HN       SER   2  27.893  10.283  -2.353
   11    HA   SER   2           HA       SER   2  30.812  10.512  -2.799
   12   1HB   SER   2          HB2       SER   2  31.130   9.595  -0.413
   13   2HB   SER   2          HB1       SER   2  30.665  11.287  -0.547
   14    HG   SER   2           HG       SER   2  29.190   9.064   0.300
   15    H    SER   3           HN       SER   3  29.961   8.947  -4.489
   16    HA   SER   3           HA       SER   3  29.960   6.166  -3.390
   17   1HB   SER   3          HB2       SER   3  27.997   7.485  -5.275
   18   2HB   SER   3          HB1       SER   3  28.157   5.734  -5.177
   19    HG   SER   3           HG       SER   3  27.291   5.755  -3.227
   20    H    GLY   4           HN       GLY   4  30.965   4.644  -4.786
   21   1HA   GLY   4          HA2       GLY   4  31.740   5.388  -7.507
   22   2HA   GLY   4          HA1       GLY   4  33.093   5.307  -6.380
   23    H    TYR   5           HN       TYR   5  30.241   3.354  -7.327
   24    HA   TYR   5           HA       TYR   5  29.981   1.025  -7.572
   25   1HB   TYR   5          HB2       TYR   5  31.658   1.721  -9.347
   26   2HB   TYR   5          HB1       TYR   5  32.932   1.187  -8.252
   27    HD1  TYR   5           HD1      TYR   5  29.692  -0.049  -9.701
   28    HD2  TYR   5           HD2      TYR   5  33.675  -1.015  -8.413
   29    HE1  TYR   5           HE1      TYR   5  29.373  -2.386 -10.466
   30    HE2  TYR   5           HE2      TYR   5  33.355  -3.351  -9.179
   31    HH   TYR   5           HH       TYR   5  31.098  -4.881  -9.526
   32    H    THR   6           HN       THR   6  29.680   0.683  -5.253
   33    HA   THR   6           HA       THR   6  31.972  -0.794  -4.011
   34    HB   THR   6           HB       THR   6  30.048   1.093  -2.607
   35    HG1  THR   6           HG1      THR   6  31.323   2.422  -3.716
   36   1HG2  THR   6          HG21      THR   6  31.936   0.930  -0.855
   37   2HG2  THR   6          HG22      THR   6  32.464  -0.496  -1.749
   38   3HG2  THR   6          HG23      THR   6  30.860  -0.457  -1.017
   39    H    ARG   7           HN       ARG   7  30.816  -2.719  -4.803
   40    HA   ARG   7           HA       ARG   7  29.485  -4.617  -4.392
   41   1HB   ARG   7          HB2       ARG   7  30.097  -3.949  -2.020
   42   2HB   ARG   7          HB1       ARG   7  28.561  -3.090  -1.946
   43   1HG   ARG   7          HG2       ARG   7  27.733  -5.511  -2.885
   44   2HG   ARG   7          HG1       ARG   7  29.096  -5.997  -1.876
   45   1HD   ARG   7          HD2       ARG   7  27.772  -4.092  -0.315
   46   2HD   ARG   7          HD1       ARG   7  26.462  -5.031  -1.058
   47    HE   ARG   7           HE       ARG   7  28.743  -6.542   0.103
   48   1HH1  ARG   7          HH11      ARG   7  25.792  -7.321  -0.733
   49   2HH1  ARG   7          HH12      ARG   7  25.150  -7.698   0.831
   50   1HH2  ARG   7          HH21      ARG   7  27.790  -6.228   2.554
   51   2HH2  ARG   7          HH22      ARG   7  26.288  -7.077   2.701
   52    HA   PRO   8           HA       PRO   8  25.745  -3.148  -6.297
   53   1HB   PRO   8          HB2       PRO   8  24.625  -5.604  -6.769
   54   2HB   PRO   8          HB1       PRO   8  25.938  -4.931  -7.756
   55   1HG   PRO   8          HG2       PRO   8  26.055  -6.954  -5.577
   56   2HG   PRO   8          HG1       PRO   8  26.955  -6.881  -7.099
   57   1HD   PRO   8          HD2       PRO   8  28.011  -6.158  -4.692
   58   2HD   PRO   8          HD1       PRO   8  28.547  -5.476  -6.242
   59    H    LEU   9           HN       LEU   9  23.600  -2.807  -5.589
   60    HA   LEU   9           HA       LEU   9  23.021  -3.670  -2.816
   61   1HB   LEU   9          HB2       LEU   9  21.345  -1.872  -2.922
   62   2HB   LEU   9          HB1       LEU   9  22.906  -1.285  -3.487
   63    HG   LEU   9           HG       LEU   9  21.600  -2.328  -5.771
   64   1HD1  LEU   9          HD11      LEU   9  19.486  -1.115  -5.808
   65   2HD1  LEU   9          HD12      LEU   9  19.791  -0.471  -4.195
   66   3HD1  LEU   9          HD13      LEU   9  19.501  -2.197  -4.415
   67   1HD2  LEU   9          HD21      LEU   9  21.566   0.105  -6.417
   68   2HD2  LEU   9          HD22      LEU   9  23.127  -0.441  -5.805
   69   3HD2  LEU   9          HD23      LEU   9  22.053   0.499  -4.768
   70    H    ARG  10           HN       ARG  10  21.442  -5.141  -2.317
   71    HA   ARG  10           HA       ARG  10  19.340  -5.803  -4.303
   72   1HB   ARG  10          HB2       ARG  10  21.396  -7.240  -4.662
   73   2HB   ARG  10          HB1       ARG  10  21.155  -7.879  -3.035
   74   1HG   ARG  10          HG2       ARG  10  18.994  -8.779  -3.631
   75   2HG   ARG  10          HG1       ARG  10  19.034  -7.971  -5.199
   76   1HD   ARG  10          HD2       ARG  10  20.298  -9.622  -6.125
   77   2HD   ARG  10          HD1       ARG  10  21.384  -9.683  -4.722
   78    HE   ARG  10           HE       ARG  10  19.726 -11.110  -3.583
   79   1HH1  ARG  10          HH11      ARG  10  20.326 -12.765  -5.920
   80   2HH1  ARG  10          HH12      ARG  10  18.768 -13.074  -6.610
   81   1HH2  ARG  10          HH21      ARG  10  17.206 -10.485  -4.894
   82   2HH2  ARG  10          HH22      ARG  10  16.995 -11.777  -6.027
   83    H    LYS  11           HN       LYS  11  17.566  -5.399  -3.021
   84    HA   LYS  11           HA       LYS  11  17.582  -5.884  -0.140
   85   1HB   LYS  11          HB2       LYS  11  16.166  -4.329  -2.035
   86   2HB   LYS  11          HB1       LYS  11  14.977  -5.413  -1.313
   87   1HG   LYS  11          HG2       LYS  11  16.317  -4.653   0.916
   88   2HG   LYS  11          HG1       LYS  11  16.529  -3.207  -0.070
   89   1HD   LYS  11          HD2       LYS  11  14.489  -2.672   0.838
   90   2HD   LYS  11          HD1       LYS  11  13.908  -3.638  -0.517
   91   1HE   LYS  11          HE2       LYS  11  12.770  -4.650   1.260
   92   2HE   LYS  11          HE1       LYS  11  14.238  -5.644   1.212
   93   1HZ   LYS  11          HZ1       LYS  11  13.867  -4.832   3.451
   94   2HZ   LYS  11          HZ2       LYS  11  13.813  -3.226   2.898
   95   3HZ   LYS  11          HZ3       LYS  11  15.260  -4.112   2.808
   96    HA   PRO  12           HA       PRO  12  16.035 -10.020  -0.388
   97   1HB   PRO  12          HB2       PRO  12  15.135 -10.256   2.188
   98   2HB   PRO  12          HB1       PRO  12  16.856 -10.280   1.761
   99   1HG   PRO  12          HG2       PRO  12  15.223  -8.090   2.915
  100   2HG   PRO  12          HG1       PRO  12  16.915  -8.515   3.209
  101   1HD   PRO  12          HD2       PRO  12  16.073  -6.450   1.589
  102   2HD   PRO  12          HD1       PRO  12  17.658  -7.242   1.477
  103    H    SER  13           HN       SER  13  13.777 -10.959   1.052
  104    HA   SER  13           HA       SER  13  11.585 -10.345  -0.608
  105   1HB   SER  13          HB2       SER  13  11.855 -11.408   2.208
  106   2HB   SER  13          HB1       SER  13  10.287 -11.297   1.413
  107    HG   SER  13           HG       SER  13  11.135 -13.307   0.977
  108    H    ARG  14           HN       ARG  14   9.815  -8.917  -0.399
  109    HA   ARG  14           HA       ARG  14  10.279  -6.351   0.766
  110   1HB   ARG  14          HB2       ARG  14   7.922  -7.840  -0.374
  111   2HB   ARG  14          HB1       ARG  14   7.688  -6.244   0.336
  112   1HG   ARG  14          HG2       ARG  14   9.939  -6.579  -1.602
  113   2HG   ARG  14          HG1       ARG  14   8.299  -6.543  -2.249
  114   1HD   ARG  14          HD2       ARG  14   8.466  -4.444  -0.326
  115   2HD   ARG  14          HD1       ARG  14   9.898  -4.322  -1.366
  116    HE   ARG  14           HE       ARG  14   8.310  -4.425  -3.330
  117   1HH1  ARG  14          HH21      ARG  14   5.885  -5.179  -1.665
  118   2HH1  ARG  14          HH22      ARG  14   5.042  -3.668  -1.579
  119   1HH2  ARG  14          HH11      ARG  14   7.786  -1.783  -2.582
  120   2HH2  ARG  14          HH12      ARG  14   6.124  -1.737  -2.099
  121    HA   PRO  15           HA       PRO  15   9.135  -7.459   4.950
  122   1HB   PRO  15          HB2       PRO  15   9.656  -5.013   6.048
  123   2HB   PRO  15          HB1       PRO  15  10.933  -6.172   5.631
  124   1HG   PRO  15          HG2       PRO  15  10.063  -3.724   4.206
  125   2HG   PRO  15          HG1       PRO  15  11.675  -4.438   4.350
  126   1HD   PRO  15          HD2       PRO  15  10.034  -4.645   2.132
  127   2HD   PRO  15          HD1       PRO  15  11.390  -5.728   2.506
  128    H    ILE  16           HN       ILE  16   7.631  -6.380   6.632
  129    HA   ILE  16           HA       ILE  16   5.044  -5.918   5.511
  130    HB   ILE  16           HB       ILE  16   4.453  -5.306   7.850
  131   1HG1  ILE  16          HG12      ILE  16   7.381  -5.611   8.527
  132   2HG1  ILE  16          HG11      ILE  16   6.687  -4.034   8.159
  133   1HG2  ILE  16          HG21      ILE  16   4.884  -7.428   8.771
  134   2HG2  ILE  16          HG22      ILE  16   6.457  -7.553   7.986
  135   3HG2  ILE  16          HG23      ILE  16   4.981  -7.716   7.034
  136   1HD1  ILE  16          HD11      ILE  16   6.748  -4.797  10.646
  137   2HD1  ILE  16          HD12      ILE  16   5.395  -5.837  10.199
  138   3HD1  ILE  16          HD13      ILE  16   5.257  -4.087  10.027
  139    H    PHE  17           HN       PHE  17   3.749  -3.899   5.687
  140    HA   PHE  17           HA       PHE  17   5.348  -1.383   5.708
  141   1HB   PHE  17          HB2       PHE  17   5.021  -2.476   3.395
  142   2HB   PHE  17          HB1       PHE  17   3.321  -2.043   3.564
  143    HD1  PHE  17           HD1      PHE  17   6.749  -0.542   3.834
  144    HD2  PHE  17           HD2      PHE  17   2.604   0.080   2.890
  145    HE1  PHE  17           HE1      PHE  17   7.262   1.770   3.098
  146    HE2  PHE  17           HE2      PHE  17   3.119   2.390   2.153
  147    HZ   PHE  17           HZ       PHE  17   5.448   3.236   2.257
  148    H    ILE  18           HN       ILE  18   3.904   0.561   5.822
  149    HA   ILE  18           HA       ILE  18   1.816   0.236   7.795
  150    HB   ILE  18           HB       ILE  18   1.598   2.667   7.541
  151   1HG1  ILE  18          HG12      ILE  18   3.429   2.398   5.137
  152   2HG1  ILE  18          HG11      ILE  18   1.686   2.633   5.022
  153   1HG2  ILE  18          HG21      ILE  18   4.529   2.239   7.116
  154   2HG2  ILE  18          HG22      ILE  18   3.760   1.444   8.490
  155   3HG2  ILE  18          HG23      ILE  18   3.701   3.200   8.341
  156   1HD1  ILE  18          HD11      ILE  18   1.934   4.728   6.377
  157   2HD1  ILE  18          HD12      ILE  18   2.768   4.799   4.826
  158   3HD1  ILE  18          HD13      ILE  18   3.683   4.518   6.307
  159    H    ARG  19           HN       ARG  19  -0.388   1.373   7.341
  160    HA   ARG  19           HA       ARG  19  -1.672  -0.032   5.120
  161   1HB   ARG  19          HB2       ARG  19  -2.775  -0.021   7.233
  162   2HB   ARG  19          HB1       ARG  19  -2.561   1.718   7.420
  163   1HG   ARG  19          HG2       ARG  19  -4.803   1.559   6.770
  164   2HG   ARG  19          HG1       ARG  19  -3.997   1.876   5.238
  165   1HD   ARG  19          HD2       ARG  19  -5.131   0.013   4.527
  166   2HD   ARG  19          HD1       ARG  19  -3.867  -0.882   5.396
  167    HE   ARG  19           HE       ARG  19  -5.366  -0.871   7.390
  168   1HH1  ARG  19          HH21      ARG  19  -7.100   1.350   6.015
  169   2HH1  ARG  19          HH22      ARG  19  -8.550   0.447   5.728
  170   1HH2  ARG  19          HH11      ARG  19  -7.053  -2.640   6.306
  171   2HH2  ARG  19          HH12      ARG  19  -8.524  -1.825   5.883
  172    HA   PRO  20           HA       PRO  20  -1.302   3.501   2.438
  173   1HB   PRO  20          HB2       PRO  20  -2.782   2.461   0.380
  174   2HB   PRO  20          HB1       PRO  20  -1.100   1.995   0.702
  175   1HG   PRO  20          HG2       PRO  20  -3.617   0.560   1.359
  176   2HG   PRO  20          HG1       PRO  20  -2.052  -0.081   0.843
  177   1HD   PRO  20          HD2       PRO  20  -2.929  -0.102   3.438
  178   2HD   PRO  20          HD1       PRO  20  -1.222  -0.109   2.968
  179    H    ILE  21           HN       ILE  21  -2.787   5.072   1.460
  180    HA   ILE  21           HA       ILE  21  -5.149   5.556   3.084
  181    HB   ILE  21           HB       ILE  21  -3.500   6.912   1.001
  182   1HG1  ILE  21          HG12      ILE  21  -3.160   7.102   3.479
  183   2HG1  ILE  21          HG11      ILE  21  -3.426   8.645   2.677
  184   1HG2  ILE  21          HG21      ILE  21  -5.765   7.274   0.107
  185   2HG2  ILE  21          HG22      ILE  21  -5.121   8.767   0.789
  186   3HG2  ILE  21          HG23      ILE  21  -6.311   7.829   1.691
  187   1HD1  ILE  21          HD11      ILE  21  -5.850   7.243   3.681
  188   2HD1  ILE  21          HD12      ILE  21  -5.475   8.966   3.665
  189   3HD1  ILE  21          HD13      ILE  21  -4.771   7.921   4.899
  190    H    GLY  22           HN       GLY  22  -7.243   6.145   2.029
  191   1HA   GLY  22          HA2       GLY  22  -8.785   5.906   0.125
  192   2HA   GLY  22          HA1       GLY  22  -7.844   4.508  -0.392
  193    H    CYS  23           HN       CYS  23  -7.657   2.821   1.517
  194    HA   CYS  23           HA       CYS  23 -10.302   1.809   2.052
  195   1HB   CYS  23          HB2       CYS  23  -7.470   1.168   2.783
  196   2HB   CYS  23          HB1       CYS  23  -8.753   0.346   3.658
  197    H    ASP  24           HN       ASP  24  -8.065   3.804   3.902
  198    HA   ASP  24           HA       ASP  24  -9.619   3.555   6.390
  199   1HB   ASP  24          HB2       ASP  24  -7.017   4.455   5.492
  200   2HB   ASP  24          HB1       ASP  24  -7.763   5.689   6.505
  201    H    VAL  25           HN       VAL  25 -10.585   4.928   3.682
  202    HA   VAL  25           HA       VAL  25 -11.838   7.250   5.034
  203    HB   VAL  25           HB       VAL  25 -10.569   7.353   2.274
  204   1HG1  VAL  25          HG11      VAL  25 -10.714   9.912   3.222
  205   2HG1  VAL  25          HG12      VAL  25 -12.145   9.198   3.965
  206   3HG1  VAL  25          HG13      VAL  25 -11.950   9.163   2.212
  207   1HG2  VAL  25          HG21      VAL  25  -9.470   8.144   4.982
  208   2HG2  VAL  25          HG22      VAL  25  -8.867   8.856   3.486
  209   3HG2  VAL  25          HG23      VAL  25  -8.715   7.121   3.759
  210    H    CYS  26           HN       CYS  26 -13.366   5.179   4.844
  211    HA   CYS  26           HA       CYS  26 -14.585   4.252   2.521
  212   1HB   CYS  26          HB2       CYS  26 -15.739   4.992   5.224
  213   2HB   CYS  26          HB1       CYS  26 -16.636   4.070   4.024
  214    H    TYR  27           HN       TYR  27 -14.900   7.448   3.951
  215    HA   TYR  27           HA       TYR  27 -17.062   8.139   2.010
  216   1HB   TYR  27          HB2       TYR  27 -16.059   9.827   4.307
  217   2HB   TYR  27          HB1       TYR  27 -17.641   9.867   3.536
  218    HD1  TYR  27           HD1      TYR  27 -15.717   8.539   6.242
  219    HD2  TYR  27           HD2      TYR  27 -19.118   7.736   3.742
  220    HE1  TYR  27           HE1      TYR  27 -16.568   6.925   7.919
  221    HE2  TYR  27           HE2      TYR  27 -19.969   6.123   5.421
  222    HH   TYR  27           HH       TYR  27 -18.622   4.636   7.382
  223    H    GLY  28           HN       GLY  28 -16.468   9.325   0.251
  224   1HA   GLY  28          HA2       GLY  28 -15.349  11.388  -0.575
  225   2HA   GLY  28          HA1       GLY  28 -13.959  10.945   0.414
  226    H    ILE  29           HN       ILE  29 -14.154   8.074  -0.320
  227    HA   ILE  29           HA       ILE  29 -12.630   8.231  -2.815
  228    HB   ILE  29           HB       ILE  29 -12.249   5.849  -2.408
  229   1HG1  ILE  29          HG12      ILE  29 -14.284   6.100  -0.166
  230   2HG1  ILE  29          HG11      ILE  29 -14.592   5.311  -1.714
  231   1HG2  ILE  29          HG21      ILE  29 -11.278   5.989  -0.146
  232   2HG2  ILE  29          HG22      ILE  29 -12.215   7.450   0.165
  233   3HG2  ILE  29          HG23      ILE  29 -10.958   7.456  -1.071
  234   1HD1  ILE  29          HD11      ILE  29 -12.743   4.455   0.503
  235   2HD1  ILE  29          HD12      ILE  29 -12.459   3.915  -1.152
  236   3HD1  ILE  29          HD13      ILE  29 -13.972   3.512  -0.341
  237    HA   PRO  30           HA       PRO  30 -15.825   7.164  -5.594
  238   1HB   PRO  30          HB2       PRO  30 -14.506   5.548  -7.375
  239   2HB   PRO  30          HB1       PRO  30 -14.309   7.310  -7.308
  240   1HG   PRO  30          HG2       PRO  30 -12.526   5.172  -6.325
  241   2HG   PRO  30          HG1       PRO  30 -12.130   6.774  -6.948
  242   1HD   PRO  30          HD2       PRO  30 -12.143   6.064  -4.268
  243   2HD   PRO  30          HD1       PRO  30 -12.230   7.724  -4.886
  244    H    SER  31           HN       SER  31 -17.294   5.493  -6.192
  245    HA   SER  31           HA       SER  31 -17.771   3.438  -4.308
  246   1HB   SER  31          HB2       SER  31 -19.155   4.622  -6.261
  247   2HB   SER  31          HB1       SER  31 -18.693   3.170  -7.142
  248    HG   SER  31           HG       SER  31 -20.621   3.455  -5.364
  249    H    SER  32           HN       SER  32 -16.062   3.277  -7.441
  250    HA   SER  32           HA       SER  32 -15.788   0.420  -7.540
  251   1HB   SER  32          HB2       SER  32 -15.389   2.346  -9.292
  252   2HB   SER  32          HB1       SER  32 -13.755   2.354  -8.635
  253    HG   SER  32           HG       SER  32 -14.155   0.911 -10.468
  254    H    THR  33           HN       THR  33 -13.620   2.970  -6.257
  255    HA   THR  33           HA       THR  33 -11.520   1.182  -5.423
  256    HB   THR  33           HB       THR  33 -12.432   3.903  -4.433
  257    HG1  THR  33           HG1      THR  33 -10.276   3.190  -6.134
  258   1HG2  THR  33          HG21      THR  33 -11.024   3.379  -2.705
  259   2HG2  THR  33          HG22      THR  33  -9.788   3.835  -3.877
  260   3HG2  THR  33          HG23      THR  33 -10.183   2.134  -3.629
  261    H    ALA  34           HN       ALA  34 -14.405   2.486  -3.773
  262    HA   ALA  34           HA       ALA  34 -13.942   1.433  -1.180
  263   1HB   ALA  34          HB1       ALA  34 -16.250   2.323  -2.836
  264   2HB   ALA  34          HB2       ALA  34 -15.758   2.849  -1.225
  265   3HB   ALA  34          HB3       ALA  34 -16.646   1.339  -1.427
  266    H    ARG  35           HN       ARG  35 -15.435  -0.081  -4.050
  267    HA   ARG  35           HA       ARG  35 -16.171  -2.561  -2.767
  268   1HB   ARG  35          HB2       ARG  35 -15.540  -1.793  -5.642
  269   2HB   ARG  35          HB1       ARG  35 -16.186  -3.364  -5.177
  270   1HG   ARG  35          HG2       ARG  35 -17.637  -1.013  -4.095
  271   2HG   ARG  35          HG1       ARG  35 -17.760  -1.257  -5.837
  272   1HD   ARG  35          HD2       ARG  35 -18.469  -3.616  -5.438
  273   2HD   ARG  35          HD1       ARG  35 -18.424  -3.307  -3.691
  274    HE   ARG  35           HE       ARG  35 -19.985  -1.278  -5.027
  275   1HH1  ARG  35          HH11      ARG  35 -21.255  -3.612  -6.270
  276   2HH1  ARG  35          HH12      ARG  35 -22.421  -4.110  -5.091
  277   1HH2  ARG  35          HH21      ARG  35 -20.951  -2.321  -2.497
  278   2HH2  ARG  35          HH22      ARG  35 -22.249  -3.376  -2.948
  279    H    LEU  36           HN       LEU  36 -13.265  -1.477  -4.523
  280    HA   LEU  36           HA       LEU  36 -11.833  -3.970  -4.444
  281   1HB   LEU  36          HB2       LEU  36 -11.518  -1.372  -5.442
  282   2HB   LEU  36          HB1       LEU  36 -10.207  -1.542  -4.277
  283    HG   LEU  36           HG       LEU  36 -10.324  -3.982  -5.720
  284   1HD1  LEU  36          HD11      LEU  36  -9.823  -2.953  -8.033
  285   2HD1  LEU  36          HD12      LEU  36 -10.633  -1.509  -7.426
  286   3HD1  LEU  36          HD13      LEU  36 -11.514  -3.033  -7.538
  287   1HD2  LEU  36          HD21      LEU  36  -8.091  -3.090  -6.591
  288   2HD2  LEU  36          HD22      LEU  36  -8.268  -3.127  -4.837
  289   3HD2  LEU  36          HD23      LEU  36  -8.447  -1.605  -5.709
  290    H    CYS  37           HN       CYS  37 -11.982  -1.173  -2.239
  291    HA   CYS  37           HA       CYS  37  -9.992  -2.049  -0.361
  292   1HB   CYS  37          HB2       CYS  37 -12.179  -0.066  -0.573
  293   2HB   CYS  37          HB1       CYS  37 -11.798  -0.563   1.072
  294    H    CYS  38           HN       CYS  38 -13.520  -2.558  -0.558
  295    HA   CYS  38           HA       CYS  38 -13.736  -4.006   1.947
  296   1HB   CYS  38          HB2       CYS  38 -15.617  -2.841   0.950
  297   2HB   CYS  38          HB1       CYS  38 -15.460  -3.765  -0.540
  298    H    PHE  39           HN       PHE  39 -13.357  -4.933  -1.462
  299    HA   PHE  39           HA       PHE  39 -13.661  -7.768  -1.119
  300   1HB   PHE  39          HB2       PHE  39 -13.922  -6.842  -3.282
  301   2HB   PHE  39          HB1       PHE  39 -12.424  -5.923  -3.161
  302    HD1  PHE  39           HD1      PHE  39 -13.779  -9.391  -3.390
  303    HD2  PHE  39           HD2      PHE  39 -10.364  -6.836  -3.895
  304    HE1  PHE  39           HE1      PHE  39 -12.548 -11.252  -4.470
  305    HE2  PHE  39           HE2      PHE  39  -9.132  -8.697  -4.976
  306    HZ   PHE  39           HZ       PHE  39 -10.224 -10.906  -5.263
  307    H    ARG  40           HN       ARG  40 -10.794  -5.646  -1.031
  308    HA   ARG  40           HA       ARG  40  -9.057  -8.007  -0.529
  309   1HB   ARG  40          HB2       ARG  40  -8.750  -5.186  -1.458
  310   2HB   ARG  40          HB1       ARG  40  -7.367  -5.941  -0.672
  311   1HG   ARG  40          HG2       ARG  40  -8.402  -7.871  -2.460
  312   2HG   ARG  40          HG1       ARG  40  -8.360  -6.348  -3.347
  313   1HD   ARG  40          HD2       ARG  40  -6.124  -6.594  -3.604
  314   2HD   ARG  40          HD1       ARG  40  -5.934  -6.518  -1.842
  315    HE   ARG  40           HE       ARG  40  -6.867  -9.120  -2.834
  316   1HH1  ARG  40          HH11      ARG  40  -4.118  -8.268  -4.003
  317   2HH1  ARG  40          HH12      ARG  40  -3.053  -9.055  -2.887
  318   1HH2  ARG  40          HH21      ARG  40  -5.535  -9.645  -0.527
  319   2HH2  ARG  40          HH22      ARG  40  -3.858  -9.839  -0.913
  320    H    TYR  41           HN       TYR  41  -9.382  -4.716   0.889
  321    HA   TYR  41           HA       TYR  41  -8.019  -5.518   3.333
  322   1HB   TYR  41          HB2       TYR  41  -9.519  -3.071   2.405
  323   2HB   TYR  41          HB1       TYR  41  -8.770  -3.173   3.995
  324    HD1  TYR  41           HD1      TYR  41  -6.445  -2.835   4.279
  325    HD2  TYR  41           HD2      TYR  41  -8.066  -3.385   0.339
  326    HE1  TYR  41           HE1      TYR  41  -4.262  -2.197   3.295
  327    HE2  TYR  41           HE2      TYR  41  -5.880  -2.756  -0.647
  328    HH   TYR  41           HH       TYR  41  -3.025  -2.554   1.179
  329    H    GLY  42           HN       GLY  42 -11.404  -4.878   2.447
  330   1HA   GLY  42          HA2       GLY  42 -13.228  -6.089   3.498
  331   2HA   GLY  42          HA1       GLY  42 -12.227  -6.300   4.928
  332    H    ASP  43           HN       ASP  43 -12.084  -3.114   3.627
  333    HA   ASP  43           HA       ASP  43 -13.927  -2.164   5.789
  334   1HB   ASP  43          HB2       ASP  43 -11.686  -0.659   4.417
  335   2HB   ASP  43          HB1       ASP  43 -12.511  -0.214   5.900
  336    H    CYS  44           HN       CYS  44 -15.199  -0.235   5.287
  337    HA   CYS  44           HA       CYS  44 -16.637   1.059   3.934
  338   1HB   CYS  44          HB2       CYS  44 -14.612   0.442   1.769
  339   2HB   CYS  44          HB1       CYS  44 -15.704   1.814   1.823
  340    H    CYS  45           HN       CYS  45 -17.153  -1.756   4.223
  341    HA   CYS  45           HA       CYS  45 -17.873  -2.862   1.603
  342   1HB   CYS  45          HB2       CYS  45 -18.217  -3.654   4.502
  343   2HB   CYS  45          HB1       CYS  45 -18.899  -4.615   3.191
  344    H    HIS  46           HN       HIS  46 -19.763  -2.049   4.538
  345    HA   HIS  46           HA       HIS  46 -22.240  -1.865   2.947
  346   1HB   HIS  46          HB2       HIS  46 -21.560  -2.605   5.533
  347   2HB   HIS  46          HB1       HIS  46 -22.280  -1.013   5.764
  348    HD1  HIS  46           HD1      HIS  46 -23.093  -4.507   4.721
  349    HD2  HIS  46           HD2      HIS  46 -25.041  -0.831   4.988
  350    HE1  HIS  46           HE1      HIS  46 -25.565  -4.986   4.459
  351    H    LEU  47           HN       LEU  47 -21.593   0.017   1.632
  352    HA   LEU  47           HA       LEU  47 -21.467   2.602   3.140
  353   1HB   LEU  47          HB2       LEU  47 -19.962   1.432   1.019
  354   2HB   LEU  47          HB1       LEU  47 -20.818   2.821   0.349
  355    HG   LEU  47           HG       LEU  47 -19.592   3.272   3.004
  356   1HD1  LEU  47          HD11      LEU  47 -17.337   3.340   2.280
  357   2HD1  LEU  47          HD12      LEU  47 -17.790   3.189   0.583
  358   3HD1  LEU  47          HD13      LEU  47 -17.947   1.805   1.664
  359   1HD2  LEU  47          HD21      LEU  47 -18.870   5.369   1.753
  360   2HD2  LEU  47          HD22      LEU  47 -20.613   5.116   1.848
  361   3HD2  LEU  47          HD23      LEU  47 -19.746   4.741   0.358
  Start of MODEL    8
    1   1H    HIS   1           HT1      HIS   1  31.065   9.013   7.265
    2   2H    HIS   1           HT2      HIS   1  30.624   9.627   5.744
    3   3H    HIS   1           HT3      HIS   1  31.400  10.630   6.874
    4    HA   HIS   1           HA       HIS   1  32.955   9.909   5.142
    5   1HB   HIS   1          HB2       HIS   1  33.495  10.342   7.603
    6   2HB   HIS   1          HB1       HIS   1  33.481   8.592   7.822
    7    HD1  HIS   1           HD1      HIS   1  35.379  11.339   6.061
    8    HD2  HIS   1           HD2      HIS   1  35.730   7.245   6.769
    9    HE1  HIS   1           HE1      HIS   1  37.704  10.678   5.307
   10    H    SER   2           HN       SER   2  33.549   8.261   3.765
   11    HA   SER   2           HA       SER   2  33.681   6.118   2.789
   12   1HB   SER   2          HB2       SER   2  34.656   5.828   5.204
   13   2HB   SER   2          HB1       SER   2  33.147   4.978   5.526
   14    HG   SER   2           HG       SER   2  34.844   3.598   4.774
   15    H    SER   3           HN       SER   3  32.352   3.980   2.625
   16    HA   SER   3           HA       SER   3  29.469   4.404   3.272
   17   1HB   SER   3          HB2       SER   3  29.113   3.615   0.805
   18   2HB   SER   3          HB1       SER   3  29.572   5.290   1.093
   19    HG   SER   3           HG       SER   3  30.976   4.581  -0.424
   20    H    GLY   4           HN       GLY   4  28.541   2.508   3.968
   21   1HA   GLY   4          HA2       GLY   4  30.132   0.087   4.137
   22   2HA   GLY   4          HA1       GLY   4  28.460   0.260   4.667
   23    H    TYR   5           HN       TYR   5  29.790  -1.882   3.038
   24    HA   TYR   5           HA       TYR   5  29.118  -3.320   1.294
   25   1HB   TYR   5          HB2       TYR   5  26.855  -2.199   2.207
   26   2HB   TYR   5          HB1       TYR   5  26.850  -1.510   0.584
   27    HD1  TYR   5           HD1      TYR   5  26.645  -4.604   2.561
   28    HD2  TYR   5           HD2      TYR   5  26.682  -2.942  -1.401
   29    HE1  TYR   5           HE1      TYR   5  25.823  -6.758   1.650
   30    HE2  TYR   5           HE2      TYR   5  25.859  -5.096  -2.311
   31    HH   TYR   5           HH       TYR   5  26.092  -7.817  -1.088
   32    H    THR   6           HN       THR   6  29.658  -3.471  -0.885
   33    HA   THR   6           HA       THR   6  30.952  -1.184  -2.139
   34    HB   THR   6           HB       THR   6  30.192  -3.844  -3.383
   35    HG1  THR   6           HG1      THR   6  31.672  -4.777  -2.202
   36   1HG2  THR   6          HG21      THR   6  31.187  -2.112  -4.858
   37   2HG2  THR   6          HG22      THR   6  32.253  -3.503  -4.661
   38   3HG2  THR   6          HG23      THR   6  32.575  -2.012  -3.775
   39    H    ARG   7           HN       ARG   7  29.745   0.418  -3.058
   40    HA   ARG   7           HA       ARG   7  28.061   1.517  -4.281
   41   1HB   ARG   7          HB2       ARG   7  29.157  -0.050  -5.961
   42   2HB   ARG   7          HB1       ARG   7  27.831  -1.172  -5.661
   43   1HG   ARG   7          HG2       ARG   7  26.337   0.075  -6.836
   44   2HG   ARG   7          HG1       ARG   7  26.981   1.597  -6.221
   45   1HD   ARG   7          HD2       ARG   7  29.061   0.833  -7.789
   46   2HD   ARG   7          HD1       ARG   7  27.714   0.100  -8.682
   47    HE   ARG   7           HE       ARG   7  26.610   2.389  -8.565
   48   1HH1  ARG   7          HH11      ARG   7  28.764   2.554 -10.567
   49   2HH1  ARG   7          HH12      ARG   7  29.698   3.910 -10.031
   50   1HH2  ARG   7          HH21      ARG   7  28.346   3.906  -6.828
   51   2HH2  ARG   7          HH22      ARG   7  29.459   4.680  -7.905
   52    HA   PRO   8           HA       PRO   8  24.815  -0.726  -1.787
   53   1HB   PRO   8          HB2       PRO   8  24.375   1.277   0.025
   54   2HB   PRO   8          HB1       PRO   8  25.608   0.021   0.253
   55   1HG   PRO   8          HG2       PRO   8  25.918   2.837  -0.636
   56   2HG   PRO   8          HG1       PRO   8  26.979   1.847   0.376
   57   1HD   PRO   8          HD2       PRO   8  27.425   2.379  -2.283
   58   2HD   PRO   8          HD1       PRO   8  28.078   0.973  -1.418
   59    H    LEU   9           HN       LEU   9  22.574  -0.322  -2.013
   60    HA   LEU   9           HA       LEU   9  21.751   1.504  -4.088
   61   1HB   LEU   9          HB2       LEU   9  19.523   0.629  -3.555
   62   2HB   LEU   9          HB1       LEU   9  20.695  -0.686  -3.525
   63    HG   LEU   9           HG       LEU   9  20.745   0.294  -0.915
   64   1HD1  LEU   9          HD11      LEU   9  18.472   0.520  -0.192
   65   2HD1  LEU   9          HD12      LEU   9  17.853   0.032  -1.770
   66   3HD1  LEU   9          HD13      LEU   9  18.656   1.591  -1.581
   67   1HD2  LEU   9          HD21      LEU   9  19.672  -1.835  -0.368
   68   2HD2  LEU   9          HD22      LEU   9  20.801  -2.077  -1.700
   69   3HD2  LEU   9          HD23      LEU   9  19.069  -1.984  -2.019
   70    H    ARG  10           HN       ARG  10  20.334   3.362  -3.866
   71    HA   ARG  10           HA       ARG  10  20.615   4.767  -1.242
   72   1HB   ARG  10          HB2       ARG  10  21.658   5.622  -3.436
   73   2HB   ARG  10          HB1       ARG  10  20.007   5.967  -3.952
   74   1HG   ARG  10          HG2       ARG  10  19.667   7.487  -2.116
   75   2HG   ARG  10          HG1       ARG  10  21.187   7.004  -1.363
   76   1HD   ARG  10          HD2       ARG  10  22.076   7.777  -3.833
   77   2HD   ARG  10          HD1       ARG  10  20.718   8.894  -3.593
   78    HE   ARG  10           HE       ARG  10  21.818   9.218  -1.227
   79   1HH1  ARG  10          HH21      ARG  10  22.863  10.944  -3.477
   80   2HH1  ARG  10          HH22      ARG  10  24.573  10.716  -3.331
   81   1HH2  ARG  10          HH11      ARG  10  24.288   7.887  -1.331
   82   2HH2  ARG  10          HH12      ARG  10  25.384   8.978  -2.111
   83    H    LYS  11           HN       LYS  11  18.712   4.396  -0.116
   84    HA   LYS  11           HA       LYS  11  16.212   5.465  -1.183
   85   1HB   LYS  11          HB2       LYS  11  16.930   2.680  -1.499
   86   2HB   LYS  11          HB1       LYS  11  15.507   2.815  -0.467
   87   1HG   LYS  11          HG2       LYS  11  14.199   3.376  -2.215
   88   2HG   LYS  11          HG1       LYS  11  15.325   4.635  -2.725
   89   1HD   LYS  11          HD2       LYS  11  16.760   2.827  -3.746
   90   2HD   LYS  11          HD1       LYS  11  15.464   1.683  -3.396
   91   1HE   LYS  11          HE2       LYS  11  14.570   4.138  -4.789
   92   2HE   LYS  11          HE1       LYS  11  15.643   3.091  -5.739
   93   1HZ   LYS  11          HZ1       LYS  11  13.319   2.079  -4.187
   94   2HZ   LYS  11          HZ2       LYS  11  14.267   1.220  -5.307
   95   3HZ   LYS  11          HZ3       LYS  11  13.239   2.464  -5.838
   96    HA   PRO  12           HA       PRO  12  15.936   5.859   3.254
   97   1HB   PRO  12          HB2       PRO  12  13.615   7.306   3.300
   98   2HB   PRO  12          HB1       PRO  12  15.180   8.014   2.860
   99   1HG   PRO  12          HG2       PRO  12  12.923   7.188   1.128
  100   2HG   PRO  12          HG1       PRO  12  14.068   8.523   0.936
  101   1HD   PRO  12          HD2       PRO  12  14.185   6.114  -0.421
  102   2HD   PRO  12          HD1       PRO  12  15.543   7.239  -0.212
  103    H    SER  13           HN       SER  13  13.435   5.883   4.584
  104    HA   SER  13           HA       SER  13  12.780   3.121   4.820
  105   1HB   SER  13          HB2       SER  13  11.340   5.685   5.547
  106   2HB   SER  13          HB1       SER  13  10.764   4.098   6.045
  107    HG   SER  13           HG       SER  13  12.094   4.962   7.644
  108    H    ARG  14           HN       ARG  14  11.502   1.839   3.534
  109    HA   ARG  14           HA       ARG  14   9.762   3.177   1.511
  110   1HB   ARG  14          HB2       ARG  14  10.013   0.897   0.361
  111   2HB   ARG  14          HB1       ARG  14  11.468   1.882   0.464
  112   1HG   ARG  14          HG2       ARG  14  12.446   0.517   2.069
  113   2HG   ARG  14          HG1       ARG  14  10.895  -0.063   2.674
  114   1HD   ARG  14          HD2       ARG  14  11.728  -0.741  -0.142
  115   2HD   ARG  14          HD1       ARG  14  12.359  -1.687   1.221
  116    HE   ARG  14           HE       ARG  14   9.547  -1.590   0.352
  117   1HH1  ARG  14          HH21      ARG  14  10.874  -4.132   1.128
  118   2HH1  ARG  14          HH22      ARG  14  10.257  -4.414   2.722
  119   1HH2  ARG  14          HH11      ARG  14   9.144  -1.143   3.150
  120   2HH2  ARG  14          HH12      ARG  14   9.273  -2.714   3.872
  121    HA   PRO  15           HA       PRO  15   6.380   1.482   3.872
  122   1HB   PRO  15          HB2       PRO  15   4.392   2.338   2.207
  123   2HB   PRO  15          HB1       PRO  15   5.233   3.415   3.338
  124   1HG   PRO  15          HG2       PRO  15   5.608   3.082   0.408
  125   2HG   PRO  15          HG1       PRO  15   5.677   4.548   1.398
  126   1HD   PRO  15          HD2       PRO  15   7.885   3.216   0.480
  127   2HD   PRO  15          HD1       PRO  15   7.870   4.235   1.936
  128    H    ILE  16           HN       ILE  16   4.262   0.233   3.105
  129    HA   ILE  16           HA       ILE  16   5.068  -2.253   1.930
  130    HB   ILE  16           HB       ILE  16   2.621  -2.725   1.983
  131   1HG1  ILE  16          HG12      ILE  16   2.011  -0.075   3.175
  132   2HG1  ILE  16          HG11      ILE  16   2.285  -0.078   1.432
  133   1HG2  ILE  16          HG21      ILE  16   2.331  -2.459   4.380
  134   2HG2  ILE  16          HG22      ILE  16   3.551  -1.187   4.423
  135   3HG2  ILE  16          HG23      ILE  16   4.020  -2.846   4.051
  136   1HD1  ILE  16          HD11      ILE  16   0.618  -1.901   1.189
  137   2HD1  ILE  16          HD12      ILE  16  -0.092  -0.455   1.906
  138   3HD1  ILE  16          HD13      ILE  16   0.314  -1.835   2.926
  139    H    PHE  17           HN       PHE  17   3.772  -3.189  -0.016
  140    HA   PHE  17           HA       PHE  17   4.547  -1.991  -2.430
  141   1HB   PHE  17          HB2       PHE  17   3.117  -3.652  -3.443
  142   2HB   PHE  17          HB1       PHE  17   3.765  -4.353  -1.967
  143    HD1  PHE  17           HD1      PHE  17   0.769  -3.149  -3.680
  144    HD2  PHE  17           HD2      PHE  17   2.330  -4.566   0.063
  145    HE1  PHE  17           HE1      PHE  17  -1.540  -3.533  -2.863
  146    HE2  PHE  17           HE2      PHE  17   0.020  -4.948   0.880
  147    HZ   PHE  17           HZ       PHE  17  -1.914  -4.431  -0.582
  148    H    ILE  18           HN       ILE  18   3.361  -0.829  -4.051
  149    HA   ILE  18           HA       ILE  18   1.801   1.375  -3.156
  150    HB   ILE  18           HB       ILE  18   2.203   0.055  -5.856
  151   1HG1  ILE  18          HG12      ILE  18   3.311   2.720  -5.212
  152   2HG1  ILE  18          HG11      ILE  18   3.972   1.394  -4.260
  153   1HG2  ILE  18          HG21      ILE  18   1.380   2.172  -6.836
  154   2HG2  ILE  18          HG22      ILE  18   0.985   2.764  -5.222
  155   3HG2  ILE  18          HG23      ILE  18   0.118   1.381  -5.891
  156   1HD1  ILE  18          HD11      ILE  18   3.772   1.352  -7.284
  157   2HD1  ILE  18          HD12      ILE  18   4.612   0.190  -6.257
  158   3HD1  ILE  18          HD13      ILE  18   5.222   1.837  -6.405
  159    H    ARG  19           HN       ARG  19  -0.404   1.687  -2.988
  160    HA   ARG  19           HA       ARG  19  -2.133  -0.686  -3.444
  161   1HB   ARG  19          HB2       ARG  19  -3.322  -0.026  -1.555
  162   2HB   ARG  19          HB1       ARG  19  -1.712   0.549  -1.149
  163   1HG   ARG  19          HG2       ARG  19  -3.789   2.303  -2.491
  164   2HG   ARG  19          HG1       ARG  19  -3.606   2.201  -0.743
  165   1HD   ARG  19          HD2       ARG  19  -1.072   2.717  -1.233
  166   2HD   ARG  19          HD1       ARG  19  -1.699   3.355  -2.766
  167    HE   ARG  19           HE       ARG  19  -3.002   4.235  -0.236
  168   1HH1  ARG  19          HH11      ARG  19  -0.357   5.580  -0.593
  169   2HH1  ARG  19          HH12      ARG  19  -0.774   6.976  -1.528
  170   1HH2  ARG  19          HH21      ARG  19  -3.871   5.724  -2.495
  171   2HH2  ARG  19          HH22      ARG  19  -2.774   7.060  -2.607
  172    HA   PRO  20           HA       PRO  20  -4.057   1.502  -6.760
  173   1HB   PRO  20          HB2       PRO  20  -6.280  -0.091  -6.972
  174   2HB   PRO  20          HB1       PRO  20  -4.680  -0.560  -7.585
  175   1HG   PRO  20          HG2       PRO  20  -6.058  -1.367  -5.075
  176   2HG   PRO  20          HG1       PRO  20  -5.047  -2.324  -6.164
  177   1HD   PRO  20          HD2       PRO  20  -4.148  -1.317  -3.802
  178   2HD   PRO  20          HD1       PRO  20  -3.099  -1.607  -5.202
  179    H    ILE  21           HN       ILE  21  -6.360   2.371  -7.227
  180    HA   ILE  21           HA       ILE  21  -7.228   3.983  -4.958
  181    HB   ILE  21           HB       ILE  21  -8.333   3.650  -7.772
  182   1HG1  ILE  21          HG12      ILE  21  -6.810   6.058  -7.302
  183   2HG1  ILE  21          HG11      ILE  21  -5.832   4.651  -6.895
  184   1HG2  ILE  21          HG21      ILE  21  -8.735   5.721  -5.606
  185   2HG2  ILE  21          HG22      ILE  21  -9.963   4.821  -6.498
  186   3HG2  ILE  21          HG23      ILE  21  -9.034   6.084  -7.306
  187   1HD1  ILE  21          HD11      ILE  21  -5.560   5.206  -9.270
  188   2HD1  ILE  21          HD12      ILE  21  -7.304   5.097  -9.509
  189   3HD1  ILE  21          HD13      ILE  21  -6.378   3.653  -9.101
  190    H    GLY  22           HN       GLY  22  -9.616   4.116  -4.450
  191   1HA   GLY  22          HA2       GLY  22 -11.813   3.007  -4.381
  192   2HA   GLY  22          HA1       GLY  22 -10.983   1.471  -4.626
  193    H    CYS  23           HN       CYS  23  -9.143   1.187  -2.858
  194    HA   CYS  23           HA       CYS  23 -10.447   0.942  -0.294
  195   1HB   CYS  23          HB2       CYS  23  -7.644   0.652  -1.357
  196   2HB   CYS  23          HB1       CYS  23  -7.971   0.431   0.352
  197    H    ASP  24           HN       ASP  24  -8.308   3.342  -1.724
  198    HA   ASP  24           HA       ASP  24  -7.662   4.763   0.713
  199   1HB   ASP  24          HB2       ASP  24  -7.640   5.460  -2.238
  200   2HB   ASP  24          HB1       ASP  24  -6.961   6.503  -0.994
  201    H    VAL  25           HN       VAL  25 -10.652   4.464  -0.803
  202    HA   VAL  25           HA       VAL  25 -11.625   6.986   0.409
  203    HB   VAL  25           HB       VAL  25 -12.317   6.045  -2.398
  204   1HG1  VAL  25          HG11      VAL  25 -13.667   7.756  -0.718
  205   2HG1  VAL  25          HG12      VAL  25 -13.768   7.787  -2.477
  206   3HG1  VAL  25          HG13      VAL  25 -12.657   8.869  -1.639
  207   1HG2  VAL  25          HG21      VAL  25 -10.054   6.707  -2.603
  208   2HG2  VAL  25          HG22      VAL  25 -10.232   7.999  -1.415
  209   3HG2  VAL  25          HG23      VAL  25 -10.952   8.168  -3.016
  210    H    CYS  26           HN       CYS  26 -12.273   5.174   1.936
  211    HA   CYS  26           HA       CYS  26 -14.003   3.046   1.426
  212   1HB   CYS  26          HB2       CYS  26 -13.702   5.002   3.702
  213   2HB   CYS  26          HB1       CYS  26 -14.863   3.683   3.804
  214    H    TYR  27           HN       TYR  27 -14.756   6.468   1.295
  215    HA   TYR  27           HA       TYR  27 -17.676   5.868   1.154
  216   1HB   TYR  27          HB2       TYR  27 -16.310   8.566   1.284
  217   2HB   TYR  27          HB1       TYR  27 -17.973   8.179   1.713
  218    HD1  TYR  27           HD1      TYR  27 -14.587   8.453   2.899
  219    HD2  TYR  27           HD2      TYR  27 -18.375   6.589   3.695
  220    HE1  TYR  27           HE1      TYR  27 -13.878   8.006   5.231
  221    HE2  TYR  27           HE2      TYR  27 -17.664   6.142   6.028
  222    HH   TYR  27           HH       TYR  27 -15.081   5.870   7.135
  223    H    GLY  28           HN       GLY  28 -18.647   5.904  -0.827
  224   1HA   GLY  28          HA2       GLY  28 -19.054   7.117  -2.940
  225   2HA   GLY  28          HA1       GLY  28 -17.322   7.419  -3.036
  226    H    ILE  29           HN       ILE  29 -16.816   4.536  -2.147
  227    HA   ILE  29           HA       ILE  29 -16.782   3.407  -4.839
  228    HB   ILE  29           HB       ILE  29 -15.547   1.587  -3.755
  229   1HG1  ILE  29          HG12      ILE  29 -16.287   2.947  -1.140
  230   2HG1  ILE  29          HG11      ILE  29 -16.971   1.429  -1.721
  231   1HG2  ILE  29          HG21      ILE  29 -13.748   2.950  -2.682
  232   2HG2  ILE  29          HG22      ILE  29 -14.830   4.342  -2.719
  233   3HG2  ILE  29          HG23      ILE  29 -14.289   3.605  -4.227
  234   1HD1  ILE  29          HD11      ILE  29 -14.357   0.819  -1.928
  235   2HD1  ILE  29          HD12      ILE  29 -15.276   0.548  -0.448
  236   3HD1  ILE  29          HD13      ILE  29 -14.267   1.985  -0.609
  237    HA   PRO  30           HA       PRO  30 -20.371   0.919  -4.632
  238   1HB   PRO  30          HB2       PRO  30 -19.561  -1.311  -6.009
  239   2HB   PRO  30          HB1       PRO  30 -19.941   0.241  -6.782
  240   1HG   PRO  30          HG2       PRO  30 -17.319  -0.985  -6.189
  241   2HG   PRO  30          HG1       PRO  30 -17.796   0.075  -7.518
  242   1HD   PRO  30          HD2       PRO  30 -16.356   0.873  -5.292
  243   2HD   PRO  30          HD1       PRO  30 -17.268   1.957  -6.358
  244    H    SER  31           HN       SER  31 -21.301  -0.978  -3.656
  245    HA   SER  31           HA       SER  31 -20.248  -1.780  -1.159
  246   1HB   SER  31          HB2       SER  31 -22.617  -1.897  -2.187
  247   2HB   SER  31          HB1       SER  31 -22.109  -3.438  -2.868
  248    HG   SER  31           HG       SER  31 -21.798  -4.224  -0.823
  249    H    SER  32           HN       SER  32 -20.065  -3.460  -4.314
  250    HA   SER  32           HA       SER  32 -18.836  -5.866  -3.357
  251   1HB   SER  32          HB2       SER  32 -19.915  -5.191  -5.649
  252   2HB   SER  32          HB1       SER  32 -18.294  -4.634  -6.056
  253    HG   SER  32           HG       SER  32 -17.547  -6.744  -5.560
  254    H    THR  33           HN       THR  33 -17.405  -2.829  -4.598
  255    HA   THR  33           HA       THR  33 -14.660  -3.682  -4.402
  256    HB   THR  33           HB       THR  33 -16.014  -0.970  -4.267
  257    HG1  THR  33           HG1      THR  33 -15.257  -0.909  -6.445
  258   1HG2  THR  33          HG21      THR  33 -13.922  -0.496  -3.342
  259   2HG2  THR  33          HG22      THR  33 -13.613  -0.265  -5.063
  260   3HG2  THR  33          HG23      THR  33 -13.114  -1.759  -4.270
  261    H    ALA  34           HN       ALA  34 -16.865  -2.032  -2.139
  262    HA   ALA  34           HA       ALA  34 -15.052  -1.491  -0.035
  263   1HB   ALA  34          HB1       ALA  34 -17.103  -1.442   1.337
  264   2HB   ALA  34          HB2       ALA  34 -17.965  -2.340   0.088
  265   3HB   ALA  34          HB3       ALA  34 -17.403  -0.700  -0.235
  266    H    ARG  35           HN       ARG  35 -16.938  -4.455  -0.704
  267    HA   ARG  35           HA       ARG  35 -16.100  -5.912   1.633
  268   1HB   ARG  35          HB2       ARG  35 -17.016  -6.775  -1.134
  269   2HB   ARG  35          HB1       ARG  35 -16.824  -7.882   0.223
  270   1HG   ARG  35          HG2       ARG  35 -18.605  -6.975   1.405
  271   2HG   ARG  35          HG1       ARG  35 -18.479  -5.411   0.600
  272   1HD   ARG  35          HD2       ARG  35 -19.708  -6.100  -1.232
  273   2HD   ARG  35          HD1       ARG  35 -19.160  -7.783  -1.096
  274    HE   ARG  35           HE       ARG  35 -21.045  -6.587   0.904
  275   1HH1  ARG  35          HH21      ARG  35 -22.477  -7.816  -1.338
  276   2HH1  ARG  35          HH22      ARG  35 -22.646  -9.468  -0.851
  277   1HH2  ARG  35          HH11      ARG  35 -20.180  -9.272   1.593
  278   2HH2  ARG  35          HH12      ARG  35 -21.338 -10.299   0.816
  279    H    LEU  36           HN       LEU  36 -14.786  -5.709  -1.675
  280    HA   LEU  36           HA       LEU  36 -12.642  -7.609  -1.261
  281   1HB   LEU  36          HB2       LEU  36 -13.789  -6.382  -3.384
  282   2HB   LEU  36          HB1       LEU  36 -12.362  -5.362  -3.200
  283    HG   LEU  36           HG       LEU  36 -11.024  -7.567  -3.086
  284   1HD1  LEU  36          HD11      LEU  36 -13.587  -8.579  -4.361
  285   2HD1  LEU  36          HD12      LEU  36 -13.012  -9.024  -2.754
  286   3HD1  LEU  36          HD13      LEU  36 -12.087  -9.489  -4.181
  287   1HD2  LEU  36          HD21      LEU  36 -12.450  -6.832  -5.665
  288   2HD2  LEU  36          HD22      LEU  36 -10.917  -7.696  -5.540
  289   3HD2  LEU  36          HD23      LEU  36 -11.025  -6.013  -5.025
  290    H    CYS  37           HN       CYS  37 -12.917  -4.078  -0.899
  291    HA   CYS  37           HA       CYS  37 -10.127  -3.547  -0.403
  292   1HB   CYS  37          HB2       CYS  37 -12.754  -2.199  -0.214
  293   2HB   CYS  37          HB1       CYS  37 -11.538  -1.587   0.900
  294    H    CYS  38           HN       CYS  38 -12.819  -4.550   1.673
  295    HA   CYS  38           HA       CYS  38 -11.271  -4.158   4.151
  296   1HB   CYS  38          HB2       CYS  38 -13.655  -3.714   4.129
  297   2HB   CYS  38          HB1       CYS  38 -13.993  -5.307   3.461
  298    H    PHE  39           HN       PHE  39 -12.318  -6.808   2.043
  299    HA   PHE  39           HA       PHE  39 -11.500  -8.975   3.759
  300   1HB   PHE  39          HB2       PHE  39 -13.095  -9.414   2.066
  301   2HB   PHE  39          HB1       PHE  39 -12.130  -8.610   0.831
  302    HD1  PHE  39           HD1      PHE  39 -12.089 -11.547   3.151
  303    HD2  PHE  39           HD2      PHE  39 -10.669  -9.853  -0.532
  304    HE1  PHE  39           HE1      PHE  39 -11.035 -13.713   2.562
  305    HE2  PHE  39           HE2      PHE  39  -9.615 -12.019  -1.121
  306    HZ   PHE  39           HZ       PHE  39  -9.798 -13.948   0.426
  307    H    ARG  40           HN       ARG  40  -9.854  -7.264   1.084
  308    HA   ARG  40           HA       ARG  40  -7.439  -8.948   1.492
  309   1HB   ARG  40          HB2       ARG  40  -8.741  -7.560  -0.665
  310   2HB   ARG  40          HB1       ARG  40  -7.083  -6.991  -0.528
  311   1HG   ARG  40          HG2       ARG  40  -6.629  -9.625  -0.247
  312   2HG   ARG  40          HG1       ARG  40  -8.099  -9.703  -1.219
  313   1HD   ARG  40          HD2       ARG  40  -6.371  -9.612  -2.844
  314   2HD   ARG  40          HD1       ARG  40  -6.904  -7.924  -2.730
  315    HE   ARG  40           HE       ARG  40  -4.998  -7.529  -1.165
  316   1HH1  ARG  40          HH21      ARG  40  -4.384 -10.380  -0.491
  317   2HH1  ARG  40          HH22      ARG  40  -2.986 -10.693  -1.463
  318   1HH2  ARG  40          HH11      ARG  40  -3.481  -7.938  -3.525
  319   2HH2  ARG  40          HH12      ARG  40  -2.472  -9.304  -3.188
  320    H    TYR  41           HN       TYR  41  -8.164  -5.430   1.229
  321    HA   TYR  41           HA       TYR  41  -5.539  -4.761   2.326
  322   1HB   TYR  41          HB2       TYR  41  -7.972  -3.126   1.578
  323   2HB   TYR  41          HB1       TYR  41  -6.422  -2.437   2.048
  324    HD1  TYR  41           HD1      TYR  41  -4.515  -2.488   0.572
  325    HD2  TYR  41           HD2      TYR  41  -8.189  -4.427  -0.525
  326    HE1  TYR  41           HE1      TYR  41  -3.690  -2.737  -1.751
  327    HE2  TYR  41           HE2      TYR  41  -7.361  -4.679  -2.848
  328    HH   TYR  41           HH       TYR  41  -4.616  -4.735  -3.823
  329    H    GLY  42           HN       GLY  42  -8.882  -4.762   3.503
  330   1HA   GLY  42          HA2       GLY  42  -9.417  -5.092   5.833
  331   2HA   GLY  42          HA1       GLY  42  -7.822  -4.487   6.262
  332    H    ASP  43           HN       ASP  43  -9.348  -2.556   3.869
  333    HA   ASP  43           HA       ASP  43  -9.972  -0.503   5.948
  334   1HB   ASP  43          HB2       ASP  43  -9.839   0.106   3.020
  335   2HB   ASP  43          HB1       ASP  43  -9.326   1.087   4.382
  336    H    CYS  44           HN       CYS  44 -11.926   0.793   5.617
  337    HA   CYS  44           HA       CYS  44 -14.233   1.063   5.177
  338   1HB   CYS  44          HB2       CYS  44 -13.761  -0.786   2.834
  339   2HB   CYS  44          HB1       CYS  44 -14.935   0.513   2.956
  340    H    CYS  45           HN       CYS  45 -13.381  -1.053   6.955
  341    HA   CYS  45           HA       CYS  45 -15.028  -3.421   6.333
  342   1HB   CYS  45          HB2       CYS  45 -13.172  -2.553   8.558
  343   2HB   CYS  45          HB1       CYS  45 -14.080  -4.060   8.639
  344    H    HIS  46           HN       HIS  46 -14.811  -1.169   9.113
  345    HA   HIS  46           HA       HIS  46 -17.662  -1.732   9.754
  346   1HB   HIS  46          HB2       HIS  46 -15.234  -0.700  11.189
  347   2HB   HIS  46          HB1       HIS  46 -16.828  -0.290  11.822
  348    HD1  HIS  46           HD1      HIS  46 -18.461  -2.448  12.229
  349    HD2  HIS  46           HD2      HIS  46 -14.382  -3.242  11.896
  350    HE1  HIS  46           HE1      HIS  46 -18.101  -4.765  13.188
  351    H    LEU  47           HN       LEU  47 -17.978  -0.334   7.627
  352    HA   LEU  47           HA       LEU  47 -17.845   2.589   8.194
  353   1HB   LEU  47          HB2       LEU  47 -17.221   1.070   6.002
  354   2HB   LEU  47          HB1       LEU  47 -18.867   1.568   5.608
  355    HG   LEU  47           HG       LEU  47 -18.030   3.946   6.350
  356   1HD1  LEU  47          HD11      LEU  47 -15.446   2.530   5.625
  357   2HD1  LEU  47          HD12      LEU  47 -15.854   3.200   7.205
  358   3HD1  LEU  47          HD13      LEU  47 -15.623   4.272   5.825
  359   1HD2  LEU  47          HD21      LEU  47 -18.699   3.706   4.110
  360   2HD2  LEU  47          HD22      LEU  47 -17.472   2.485   3.775
  361   3HD2  LEU  47          HD23      LEU  47 -17.007   4.177   3.951
  Start of MODEL    9
    1   1H    HIS   1           HT1      HIS   1  -7.422  -4.627  -9.618
    2   2H    HIS   1           HT2      HIS   1  -8.562  -3.539  -8.979
    3   3H    HIS   1           HT3      HIS   1  -7.846  -4.710  -7.978
    4    HA   HIS   1           HA       HIS   1  -5.714  -3.645  -8.111
    5   1HB   HIS   1          HB2       HIS   1  -7.141  -2.430 -10.410
    6   2HB   HIS   1          HB1       HIS   1  -6.065  -1.338  -9.541
    7    HD1  HIS   1           HD1      HIS   1  -3.641  -1.495 -10.131
    8    HD2  HIS   1           HD2      HIS   1  -5.713  -4.951 -11.201
    9    HE1  HIS   1           HE1      HIS   1  -1.990  -2.969 -11.362
   10    H    SER   2           HN       SER   2  -5.267  -2.085  -6.507
   11    HA   SER   2           HA       SER   2  -7.649  -0.719  -5.322
   12   1HB   SER   2          HB2       SER   2  -6.178  -2.388  -4.049
   13   2HB   SER   2          HB1       SER   2  -4.909  -1.169  -4.107
   14    HG   SER   2           HG       SER   2  -6.201   0.205  -2.931
   15    H    SER   3           HN       SER   3  -7.785   1.334  -6.212
   16    HA   SER   3           HA       SER   3  -5.298   3.008  -6.184
   17   1HB   SER   3          HB2       SER   3  -6.426   4.101  -8.232
   18   2HB   SER   3          HB1       SER   3  -5.755   2.490  -8.464
   19    HG   SER   3           HG       SER   3  -8.450   3.280  -8.123
   20    H    GLY   4           HN       GLY   4  -6.257   3.528  -3.969
   21   1HA   GLY   4          HA2       GLY   4  -7.144   5.302  -2.682
   22   2HA   GLY   4          HA1       GLY   4  -7.815   5.992  -4.159
   23    H    TYR   5           HN       TYR   5  -9.412   5.993  -1.939
   24    HA   TYR   5           HA       TYR   5 -11.459   3.901  -2.593
   25   1HB   TYR   5          HB2       TYR   5 -10.363   4.861   0.058
   26   2HB   TYR   5          HB1       TYR   5 -11.935   4.071  -0.049
   27    HD1  TYR   5           HD1      TYR   5  -8.341   3.606  -0.044
   28    HD2  TYR   5           HD2      TYR   5 -12.082   1.739  -1.036
   29    HE1  TYR   5           HE1      TYR   5  -7.227   1.391  -0.078
   30    HE2  TYR   5           HE2      TYR   5 -10.966  -0.475  -1.071
   31    HH   TYR   5           HH       TYR   5  -7.828  -0.949  -1.364
   32    H    THR   6           HN       THR   6 -13.513   4.758  -2.891
   33    HA   THR   6           HA       THR   6 -13.854   7.682  -2.368
   34    HB   THR   6           HB       THR   6 -14.025   6.836  -4.707
   35    HG1  THR   6           HG1      THR   6 -16.522   7.667  -3.645
   36   1HG2  THR   6          HG21      THR   6 -15.138   4.943  -5.191
   37   2HG2  THR   6          HG22      THR   6 -16.624   5.606  -4.512
   38   3HG2  THR   6          HG23      THR   6 -15.489   4.745  -3.474
   39    H    ARG   7           HN       ARG   7 -14.140   6.320  -0.084
   40    HA   ARG   7           HA       ARG   7 -15.613   5.996   1.722
   41   1HB   ARG   7          HB2       ARG   7 -16.460   8.164   0.776
   42   2HB   ARG   7          HB1       ARG   7 -17.618   7.241  -0.178
   43   1HG   ARG   7          HG2       ARG   7 -17.916   6.244   2.418
   44   2HG   ARG   7          HG1       ARG   7 -17.736   7.986   2.632
   45   1HD   ARG   7          HD2       ARG   7 -20.094   7.573   2.295
   46   2HD   ARG   7          HD1       ARG   7 -19.487   8.255   0.773
   47    HE   ARG   7           HE       ARG   7 -19.651   5.288   1.168
   48   1HH1  ARG   7          HH11      ARG   7 -22.177   6.526   0.187
   49   2HH1  ARG   7          HH12      ARG   7 -21.991   6.452  -1.532
   50   1HH2  ARG   7          HH21      ARG   7 -18.561   5.907  -1.400
   51   2HH2  ARG   7          HH22      ARG   7 -19.938   6.105  -2.434
   52    HA   PRO   8           HA       PRO   8 -17.350   2.100   0.366
   53   1HB   PRO   8          HB2       PRO   8 -17.583   1.015   2.863
   54   2HB   PRO   8          HB1       PRO   8 -16.043   1.100   1.987
   55   1HG   PRO   8          HG2       PRO   8 -17.045   2.777   4.213
   56   2HG   PRO   8          HG1       PRO   8 -15.395   2.262   3.838
   57   1HD   PRO   8          HD2       PRO   8 -16.439   4.771   3.313
   58   2HD   PRO   8          HD1       PRO   8 -15.011   4.072   2.522
   59    H    LEU   9           HN       LEU   9 -19.417   0.943   0.782
   60    HA   LEU   9           HA       LEU   9 -21.646   2.774   1.158
   61   1HB   LEU   9          HB2       LEU   9 -21.129   0.306  -0.070
   62   2HB   LEU   9          HB1       LEU   9 -22.268  -0.081   1.217
   63    HG   LEU   9           HG       LEU   9 -23.417   0.505  -0.909
   64   1HD1  LEU   9          HD11      LEU   9 -24.355   1.018   1.417
   65   2HD1  LEU   9          HD12      LEU   9 -25.057   1.924   0.077
   66   3HD1  LEU   9          HD13      LEU   9 -23.869   2.690   1.132
   67   1HD2  LEU   9          HD21      LEU   9 -21.510   2.253  -1.419
   68   2HD2  LEU   9          HD22      LEU   9 -22.548   3.357  -0.517
   69   3HD2  LEU   9          HD23      LEU   9 -23.154   2.569  -1.973
   70    H    ARG  10           HN       ARG  10 -22.068   3.470   3.229
   71    HA   ARG  10           HA       ARG  10 -22.630   3.404   5.514
   72   1HB   ARG  10          HB2       ARG  10 -24.186   1.664   4.457
   73   2HB   ARG  10          HB1       ARG  10 -23.047   0.442   5.022
   74   1HG   ARG  10          HG2       ARG  10 -24.617   0.559   6.774
   75   2HG   ARG  10          HG1       ARG  10 -23.302   1.588   7.342
   76   1HD   ARG  10          HD2       ARG  10 -24.582   3.552   6.271
   77   2HD   ARG  10          HD1       ARG  10 -25.962   2.440   6.171
   78    HE   ARG  10           HE       ARG  10 -24.550   2.897   8.773
   79   1HH1  ARG  10          HH11      ARG  10 -26.739   0.954   8.838
   80   2HH1  ARG  10          HH12      ARG  10 -28.119   1.913   9.256
   81   1HH2  ARG  10          HH21      ARG  10 -26.600   4.929   8.431
   82   2HH2  ARG  10          HH22      ARG  10 -28.041   4.173   9.025
   83    H    LYS  11           HN       LYS  11 -20.511   3.843   6.281
   84    HA   LYS  11           HA       LYS  11 -18.392   1.941   6.546
   85   1HB   LYS  11          HB2       LYS  11 -19.125   4.637   7.580
   86   2HB   LYS  11          HB1       LYS  11 -17.866   3.770   8.460
   87   1HG   LYS  11          HG2       LYS  11 -16.460   3.642   6.566
   88   2HG   LYS  11          HG1       LYS  11 -17.781   4.001   5.454
   89   1HD   LYS  11          HD2       LYS  11 -16.511   6.015   5.602
   90   2HD   LYS  11          HD1       LYS  11 -17.941   6.282   6.598
   91   1HE   LYS  11          HE2       LYS  11 -16.148   7.039   7.965
   92   2HE   LYS  11          HE1       LYS  11 -16.460   5.399   8.564
   93   1HZ   LYS  11          HZ1       LYS  11 -14.075   5.871   8.025
   94   2HZ   LYS  11          HZ2       LYS  11 -14.524   6.003   6.392
   95   3HZ   LYS  11          HZ3       LYS  11 -14.727   4.531   7.216
   96    HA   PRO  12           HA       PRO  12 -20.324  -0.197  10.020
   97   1HB   PRO  12          HB2       PRO  12 -18.763  -2.436   9.835
   98   2HB   PRO  12          HB1       PRO  12 -20.159  -2.150   8.780
   99   1HG   PRO  12          HG2       PRO  12 -17.270  -1.881   8.205
  100   2HG   PRO  12          HG1       PRO  12 -18.599  -2.351   7.137
  101   1HD   PRO  12          HD2       PRO  12 -17.392   0.153   7.213
  102   2HD   PRO  12          HD1       PRO  12 -18.970  -0.216   6.490
  103    H    SER  13           HN       SER  13 -18.642  -1.848  11.629
  104    HA   SER  13           HA       SER  13 -17.265   0.102  13.251
  105   1HB   SER  13          HB2       SER  13 -16.782  -1.835  14.630
  106   2HB   SER  13          HB1       SER  13 -18.394  -2.055  13.960
  107    HG   SER  13           HG       SER  13 -16.019  -3.402  13.429
  108    H    ARG  14           HN       ARG  14 -14.856  -0.436  13.918
  109    HA   ARG  14           HA       ARG  14 -13.060   0.211  11.890
  110   1HB   ARG  14          HB2       ARG  14 -11.352  -0.834  13.470
  111   2HB   ARG  14          HB1       ARG  14 -12.449   0.332  14.206
  112   1HG   ARG  14          HG2       ARG  14 -13.298  -1.230  15.599
  113   2HG   ARG  14          HG1       ARG  14 -13.575  -2.354  14.270
  114   1HD   ARG  14          HD2       ARG  14 -11.991  -3.405  15.771
  115   2HD   ARG  14          HD1       ARG  14 -11.071  -2.874  14.350
  116    HE   ARG  14           HE       ARG  14 -10.069  -1.168  15.675
  117   1HH1  ARG  14          HH21      ARG  14 -10.558  -3.302  17.867
  118   2HH1  ARG  14          HH22      ARG  14 -11.187  -2.307  19.137
  119   1HH2  ARG  14          HH11      ARG  14 -11.816   0.404  17.053
  120   2HH2  ARG  14          HH12      ARG  14 -11.905  -0.200  18.673
  121    HA   PRO  15           HA       PRO  15 -13.123  -3.755   9.734
  122   1HB   PRO  15          HB2       PRO  15 -12.403  -2.744   7.305
  123   2HB   PRO  15          HB1       PRO  15 -14.063  -2.675   7.923
  124   1HG   PRO  15          HG2       PRO  15 -12.065  -0.533   7.670
  125   2HG   PRO  15          HG1       PRO  15 -13.829  -0.436   7.706
  126   1HD   PRO  15          HD2       PRO  15 -12.039   0.130   9.825
  127   2HD   PRO  15          HD1       PRO  15 -13.811   0.053   9.905
  128    H    ILE  16           HN       ILE  16 -11.412  -5.055   8.796
  129    HA   ILE  16           HA       ILE  16  -8.768  -4.535   9.857
  130    HB   ILE  16           HB       ILE  16  -8.216  -6.638   8.672
  131   1HG1  ILE  16          HG12      ILE  16 -11.014  -6.472   7.508
  132   2HG1  ILE  16          HG11      ILE  16  -9.557  -6.068   6.603
  133   1HG2  ILE  16          HG21      ILE  16  -9.702  -6.497  10.811
  134   2HG2  ILE  16          HG22      ILE  16  -9.608  -8.032   9.947
  135   3HG2  ILE  16          HG23      ILE  16 -11.012  -6.986   9.736
  136   1HD1  ILE  16          HD11      ILE  16  -8.682  -8.347   6.998
  137   2HD1  ILE  16          HD12      ILE  16 -10.235  -8.396   6.164
  138   3HD1  ILE  16          HD13      ILE  16 -10.149  -8.752   7.889
  139    H    PHE  17           HN       PHE  17  -6.792  -4.266   8.518
  140    HA   PHE  17           HA       PHE  17  -7.344  -2.931   5.897
  141   1HB   PHE  17          HB2       PHE  17  -6.861  -1.327   7.689
  142   2HB   PHE  17          HB1       PHE  17  -5.374  -2.190   8.078
  143    HD1  PHE  17           HD1      PHE  17  -3.480  -1.037   7.365
  144    HD2  PHE  17           HD2      PHE  17  -6.990  -1.025   4.886
  145    HE1  PHE  17           HE1      PHE  17  -2.265   0.277   5.648
  146    HE2  PHE  17           HE2      PHE  17  -5.774   0.288   3.171
  147    HZ   PHE  17           HZ       PHE  17  -3.412   0.940   3.552
  148    H    ILE  18           HN       ILE  18  -5.989  -3.461   4.232
  149    HA   ILE  18           HA       ILE  18  -4.023  -5.650   4.678
  150    HB   ILE  18           HB       ILE  18  -4.230  -5.934   2.244
  151   1HG1  ILE  18          HG12      ILE  18  -6.125  -3.564   2.288
  152   2HG1  ILE  18          HG11      ILE  18  -4.438  -3.439   1.794
  153   1HG2  ILE  18          HG21      ILE  18  -6.448  -6.724   2.204
  154   2HG2  ILE  18          HG22      ILE  18  -7.027  -5.424   3.245
  155   3HG2  ILE  18          HG23      ILE  18  -6.046  -6.724   3.921
  156   1HD1  ILE  18          HD11      ILE  18  -5.934  -5.633   0.501
  157   2HD1  ILE  18          HD12      ILE  18  -4.818  -4.461  -0.203
  158   3HD1  ILE  18          HD13      ILE  18  -6.499  -4.014   0.088
  159    H    ARG  19           HN       ARG  19  -2.129  -5.372   2.880
  160    HA   ARG  19           HA       ARG  19  -0.377  -3.362   3.770
  161   1HB   ARG  19          HB2       ARG  19   1.042  -4.161   2.073
  162   2HB   ARG  19          HB1       ARG  19  -0.048  -5.520   2.317
  163   1HG   ARG  19          HG2       ARG  19  -0.476  -3.396   0.191
  164   2HG   ARG  19          HG1       ARG  19   0.357  -4.918  -0.109
  165   1HD   ARG  19          HD2       ARG  19  -1.660  -6.175   0.584
  166   2HD   ARG  19          HD1       ARG  19  -2.507  -4.643   0.877
  167    HE   ARG  19           HE       ARG  19  -1.906  -4.149  -1.606
  168   1HH1  ARG  19          HH11      ARG  19  -4.007  -6.396  -0.596
  169   2HH1  ARG  19          HH12      ARG  19  -3.852  -7.484  -1.933
  170   1HH2  ARG  19          HH21      ARG  19  -1.012  -5.932  -3.206
  171   2HH2  ARG  19          HH22      ARG  19  -2.150  -7.222  -3.418
  172    HA   PRO  20           HA       PRO  20  -2.023   0.293   1.932
  173   1HB   PRO  20          HB2       PRO  20   0.220   1.861   2.133
  174   2HB   PRO  20          HB1       PRO  20  -0.835   1.481   3.512
  175   1HG   PRO  20          HG2       PRO  20   1.774   0.279   2.735
  176   2HG   PRO  20          HG1       PRO  20   1.144   0.665   4.341
  177   1HD   PRO  20          HD2       PRO  20   1.163  -1.855   3.320
  178   2HD   PRO  20          HD1       PRO  20  -0.041  -1.287   4.491
  179    H    ILE  21           HN       ILE  21  -1.362   1.892   0.154
  180    HA   ILE  21           HA       ILE  21  -0.576   0.417  -2.230
  181    HB   ILE  21           HB       ILE  21  -1.138   3.367  -1.752
  182   1HG1  ILE  21          HG12      ILE  21  -3.261   1.876  -3.024
  183   2HG1  ILE  21          HG11      ILE  21  -2.843   1.124  -1.487
  184   1HG2  ILE  21          HG21      ILE  21  -1.885   3.163  -4.209
  185   2HG2  ILE  21          HG22      ILE  21  -0.986   1.647  -4.233
  186   3HG2  ILE  21          HG23      ILE  21  -0.148   3.164  -3.904
  187   1HD1  ILE  21          HD11      ILE  21  -4.482   2.769  -0.952
  188   2HD1  ILE  21          HD12      ILE  21  -3.716   3.974  -1.987
  189   3HD1  ILE  21          HD13      ILE  21  -2.939   3.482  -0.482
  190    H    GLY  22           HN       GLY  22   1.103   1.382  -3.720
  191   1HA   GLY  22          HA2       GLY  22   3.162   2.711  -3.982
  192   2HA   GLY  22          HA1       GLY  22   3.415   2.556  -2.244
  193    H    CYS  23           HN       CYS  23   3.365   0.089  -1.564
  194    HA   CYS  23           HA       CYS  23   5.638  -1.205  -2.778
  195   1HB   CYS  23          HB2       CYS  23   3.505  -1.925  -0.780
  196   2HB   CYS  23          HB1       CYS  23   4.664  -3.139  -1.292
  197    H    ASP  24           HN       ASP  24   2.171  -1.441  -3.260
  198    HA   ASP  24           HA       ASP  24   2.199  -3.917  -4.779
  199   1HB   ASP  24          HB2       ASP  24   0.237  -1.628  -4.437
  200   2HB   ASP  24          HB1       ASP  24  -0.151  -3.117  -5.293
  201    H    VAL  25           HN       VAL  25   3.535  -0.974  -5.610
  202    HA   VAL  25           HA       VAL  25   3.185  -1.504  -8.505
  203    HB   VAL  25           HB       VAL  25   2.949   1.253  -7.257
  204   1HG1  VAL  25          HG11      VAL  25   2.307   1.976  -9.392
  205   2HG1  VAL  25          HG12      VAL  25   1.842   0.355  -9.908
  206   3HG1  VAL  25          HG13      VAL  25   3.547   0.778  -9.760
  207   1HG2  VAL  25          HG21      VAL  25   0.809  -0.795  -7.870
  208   2HG2  VAL  25          HG22      VAL  25   0.451   0.931  -7.847
  209   3HG2  VAL  25          HG23      VAL  25   1.040   0.134  -6.389
  210    H    CYS  26           HN       CYS  26   5.420  -2.349  -7.793
  211    HA   CYS  26           HA       CYS  26   7.588  -0.820  -6.911
  212   1HB   CYS  26          HB2       CYS  26   7.278  -3.071  -8.898
  213   2HB   CYS  26          HB1       CYS  26   8.871  -2.438  -8.499
  214    H    TYR  27           HN       TYR  27   5.955  -0.605 -10.007
  215    HA   TYR  27           HA       TYR  27   8.155   1.096 -11.095
  216   1HB   TYR  27          HB2       TYR  27   5.725   0.016 -12.539
  217   2HB   TYR  27          HB1       TYR  27   7.246   0.554 -13.242
  218    HD1  TYR  27           HD1      TYR  27   5.404  -2.254 -12.015
  219    HD2  TYR  27           HD2      TYR  27   9.392  -0.754 -12.566
  220    HE1  TYR  27           HE1      TYR  27   6.295  -4.560 -11.842
  221    HE2  TYR  27           HE2      TYR  27  10.282  -3.062 -12.394
  222    HH   TYR  27           HH       TYR  27   9.107  -5.387 -11.098
  223    H    GLY  28           HN       GLY  28   7.835   3.275 -11.182
  224   1HA   GLY  28          HA2       GLY  28   6.361   5.147 -11.858
  225   2HA   GLY  28          HA1       GLY  28   5.032   4.307 -11.066
  226    H    ILE  29           HN       ILE  29   6.836   3.588  -8.741
  227    HA   ILE  29           HA       ILE  29   6.384   6.068  -7.236
  228    HB   ILE  29           HB       ILE  29   6.952   4.673  -5.308
  229   1HG1  ILE  29          HG12      ILE  29   7.686   2.522  -7.320
  230   2HG1  ILE  29          HG11      ILE  29   8.857   3.474  -6.408
  231   1HG2  ILE  29          HG21      ILE  29   5.231   2.972  -5.543
  232   2HG2  ILE  29          HG22      ILE  29   5.319   3.080  -7.301
  233   3HG2  ILE  29          HG23      ILE  29   4.705   4.442  -6.363
  234   1HD1  ILE  29          HD11      ILE  29   7.723   2.666  -4.293
  235   2HD1  ILE  29          HD12      ILE  29   8.543   1.405  -5.214
  236   3HD1  ILE  29          HD13      ILE  29   6.788   1.559  -5.298
  237    HA   PRO  30           HA       PRO  30  10.500   7.547  -7.255
  238   1HB   PRO  30          HB2       PRO  30  10.702   8.601  -4.731
  239   2HB   PRO  30          HB1       PRO  30   9.778   9.359  -6.043
  240   1HG   PRO  30          HG2       PRO  30   8.829   7.810  -3.714
  241   2HG   PRO  30          HG1       PRO  30   8.052   9.136  -4.580
  242   1HD   PRO  30          HD2       PRO  30   7.402   6.455  -4.855
  243   2HD   PRO  30          HD1       PRO  30   7.005   7.728  -6.023
  244    H    SER  31           HN       SER  31  12.653   7.154  -6.427
  245    HA   SER  31           HA       SER  31  13.222   4.488  -5.642
  246   1HB   SER  31          HB2       SER  31  14.678   6.319  -6.732
  247   2HB   SER  31          HB1       SER  31  14.987   6.877  -5.091
  248    HG   SER  31           HG       SER  31  16.508   5.293  -5.968
  249    H    SER  32           HN       SER  32  12.994   7.451  -3.646
  250    HA   SER  32           HA       SER  32  13.885   6.320  -1.182
  251   1HB   SER  32          HB2       SER  32  13.373   8.766  -1.886
  252   2HB   SER  32          HB1       SER  32  11.705   8.400  -1.455
  253    HG   SER  32           HG       SER  32  12.931   9.288   0.291
  254    H    THR  33           HN       THR  33  10.586   6.573  -2.546
  255    HA   THR  33           HA       THR  33   9.293   5.190  -0.348
  256    HB   THR  33           HB       THR  33   8.526   5.578  -3.261
  257    HG1  THR  33           HG1      THR  33   7.778   7.046  -0.948
  258   1HG2  THR  33          HG21      THR  33   7.127   4.388  -0.926
  259   2HG2  THR  33          HG22      THR  33   6.932   4.055  -2.647
  260   3HG2  THR  33          HG23      THR  33   6.177   5.481  -1.934
  261    H    ALA  34           HN       ALA  34  10.598   4.200  -3.506
  262    HA   ALA  34           HA       ALA  34   9.783   1.457  -3.434
  263   1HB   ALA  34          HB1       ALA  34  11.493   1.229  -5.193
  264   2HB   ALA  34          HB2       ALA  34  12.214   2.763  -4.707
  265   3HB   ALA  34          HB3       ALA  34  10.600   2.733  -5.416
  266    H    ARG  35           HN       ARG  35  12.707   3.108  -2.200
  267    HA   ARG  35           HA       ARG  35  14.141   0.737  -1.419
  268   1HB   ARG  35          HB2       ARG  35  15.023   3.099  -1.646
  269   2HB   ARG  35          HB1       ARG  35  14.182   3.496  -0.147
  270   1HG   ARG  35          HG2       ARG  35  15.457   1.553   0.920
  271   2HG   ARG  35          HG1       ARG  35  16.449   1.530  -0.539
  272   1HD   ARG  35          HD2       ARG  35  17.627   3.350   0.135
  273   2HD   ARG  35          HD1       ARG  35  16.146   4.239   0.540
  274    HE   ARG  35           HE       ARG  35  16.208   2.466   2.581
  275   1HH1  ARG  35          HH21      ARG  35  17.194   5.274   2.996
  276   2HH1  ARG  35          HH22      ARG  35  18.788   5.008   3.618
  277   1HH2  ARG  35          HH11      ARG  35  18.925   1.696   2.570
  278   2HH2  ARG  35          HH12      ARG  35  19.773   2.973   3.375
  279    H    LEU  36           HN       LEU  36  11.837   2.845   0.302
  280    HA   LEU  36           HA       LEU  36  11.945   1.516   2.852
  281   1HB   LEU  36          HB2       LEU  36  10.960   3.803   2.103
  282   2HB   LEU  36          HB1       LEU  36   9.527   2.880   1.656
  283    HG   LEU  36           HG       LEU  36  10.594   2.280   4.348
  284   1HD1  LEU  36          HD11      LEU  36   9.409   4.984   3.655
  285   2HD1  LEU  36          HD12      LEU  36  10.990   4.671   4.372
  286   3HD1  LEU  36          HD13      LEU  36   9.523   4.350   5.297
  287   1HD2  LEU  36          HD21      LEU  36   8.311   2.018   4.856
  288   2HD2  LEU  36          HD22      LEU  36   8.386   1.539   3.161
  289   3HD2  LEU  36          HD23      LEU  36   7.804   3.145   3.599
  290    H    CYS  37           HN       CYS  37   9.927   1.050  -0.043
  291    HA   CYS  37           HA       CYS  37   8.137  -0.925   1.007
  292   1HB   CYS  37          HB2       CYS  37   9.006   0.182  -1.589
  293   2HB   CYS  37          HB1       CYS  37   8.409  -1.470  -1.673
  294    H    CYS  38           HN       CYS  38  11.423  -1.142  -0.276
  295    HA   CYS  38           HA       CYS  38  11.387  -4.087  -0.399
  296   1HB   CYS  38          HB2       CYS  38  12.642  -2.851  -2.053
  297   2HB   CYS  38          HB1       CYS  38  13.464  -1.915  -0.809
  298    H    PHE  39           HN       PHE  39  12.709  -1.504   1.638
  299    HA   PHE  39           HA       PHE  39  14.285  -3.143   3.390
  300   1HB   PHE  39          HB2       PHE  39  14.746  -0.832   3.323
  301   2HB   PHE  39          HB1       PHE  39  13.044  -0.397   3.449
  302    HD1  PHE  39           HD1      PHE  39  15.830  -2.000   5.364
  303    HD2  PHE  39           HD2      PHE  39  12.087   0.102   5.543
  304    HE1  PHE  39           HE1      PHE  39  16.059  -1.801   7.825
  305    HE2  PHE  39           HE2      PHE  39  12.318   0.301   8.003
  306    HZ   PHE  39           HZ       PHE  39  14.303  -0.650   9.144
  307    H    ARG  40           HN       ARG  40  10.897  -2.032   3.566
  308    HA   ARG  40           HA       ARG  40  10.557  -3.482   6.141
  309   1HB   ARG  40          HB2       ARG  40   9.325  -1.221   4.698
  310   2HB   ARG  40          HB1       ARG  40   8.192  -2.234   5.589
  311   1HG   ARG  40          HG2       ARG  40   9.203  -1.792   7.649
  312   2HG   ARG  40          HG1       ARG  40  10.738  -1.341   6.908
  313   1HD   ARG  40          HD2       ARG  40   9.526   0.659   7.765
  314   2HD   ARG  40          HD1       ARG  40   9.687   0.721   5.999
  315    HE   ARG  40           HE       ARG  40   7.344   0.419   5.830
  316   1HH1  ARG  40          HH21      ARG  40   7.264   1.578   8.663
  317   2HH1  ARG  40          HH22      ARG  40   6.249   0.426   9.463
  318   1HH2  ARG  40          HH11      ARG  40   6.564  -1.973   6.966
  319   2HH2  ARG  40          HH12      ARG  40   5.852  -1.594   8.498
  320    H    TYR  41           HN       TYR  41   8.743  -3.213   3.036
  321    HA   TYR  41           HA       TYR  41   7.233  -5.643   3.657
  322   1HB   TYR  41          HB2       TYR  41   7.396  -3.805   1.259
  323   2HB   TYR  41          HB1       TYR  41   6.270  -5.152   1.382
  324    HD1  TYR  41           HD1      TYR  41   4.329  -5.050   2.796
  325    HD2  TYR  41           HD2      TYR  41   7.227  -1.878   2.832
  326    HE1  TYR  41           HE1      TYR  41   2.760  -3.632   4.087
  327    HE2  TYR  41           HE2      TYR  41   5.658  -0.460   4.127
  328    HH   TYR  41           HH       TYR  41   2.757  -1.721   5.525
  329    H    GLY  42           HN       GLY  42   9.892  -4.759   1.486
  330   1HA   GLY  42          HA2       GLY  42  11.579  -6.372   0.841
  331   2HA   GLY  42          HA1       GLY  42  10.399  -7.657   1.067
  332    H    ASP  43           HN       ASP  43   9.057  -4.986  -0.604
  333    HA   ASP  43           HA       ASP  43   9.287  -6.493  -3.173
  334   1HB   ASP  43          HB2       ASP  43   7.371  -4.231  -2.763
  335   2HB   ASP  43          HB1       ASP  43   7.152  -5.722  -3.663
  336    H    CYS  44           HN       CYS  44   9.606  -5.228  -5.140
  337    HA   CYS  44           HA       CYS  44  10.690  -3.588  -6.447
  338   1HB   CYS  44          HB2       CYS  44  10.302  -1.741  -4.088
  339   2HB   CYS  44          HB1       CYS  44  10.317  -1.324  -5.792
  340    H    CYS  45           HN       CYS  45  12.286  -5.327  -4.788
  341    HA   CYS  45           HA       CYS  45  14.384  -3.709  -3.517
  342   1HB   CYS  45          HB2       CYS  45  13.872  -6.641  -4.050
  343   2HB   CYS  45          HB1       CYS  45  15.386  -6.088  -3.341
  344    H    HIS  46           HN       HIS  46  14.379  -6.124  -6.163
  345    HA   HIS  46           HA       HIS  46  16.851  -4.912  -7.267
  346   1HB   HIS  46          HB2       HIS  46  15.409  -7.500  -7.353
  347   2HB   HIS  46          HB1       HIS  46  16.220  -7.049  -8.853
  348    HD1  HIS  46           HD1      HIS  46  18.835  -6.174  -8.414
  349    HD2  HIS  46           HD2      HIS  46  17.132  -8.687  -5.556
  350    HE1  HIS  46           HE1      HIS  46  20.756  -7.146  -7.078
  351    H    LEU  47           HN       LEU  47  15.864  -2.944  -8.113
  352    HA   LEU  47           HA       LEU  47  14.165  -3.403 -10.542
  353   1HB   LEU  47          HB2       LEU  47  13.568  -2.046  -8.166
  354   2HB   LEU  47          HB1       LEU  47  13.964  -0.764  -9.309
  355    HG   LEU  47           HG       LEU  47  12.413  -2.321 -10.892
  356   1HD1  LEU  47          HD11      LEU  47  11.091  -2.508  -8.178
  357   2HD1  LEU  47          HD12      LEU  47  12.044  -3.830  -8.852
  358   3HD1  LEU  47          HD13      LEU  47  10.592  -3.277  -9.685
  359   1HD2  LEU  47          HD21      LEU  47  11.235  -0.351  -8.916
  360   2HD2  LEU  47          HD22      LEU  47  10.691  -0.681 -10.560
  361   3HD2  LEU  47          HD23      LEU  47  12.224   0.148 -10.288
  Start of MODEL   10
    1   1H    HIS   1           HT1      HIS   1  30.988   4.439 -11.491
    2   2H    HIS   1           HT2      HIS   1  31.275   3.154 -12.564
    3   3H    HIS   1           HT3      HIS   1  30.796   2.838 -10.964
    4    HA   HIS   1           HA       HIS   1  29.113   4.243 -12.983
    5   1HB   HIS   1          HB2       HIS   1  29.592   1.397 -12.225
    6   2HB   HIS   1          HB1       HIS   1  27.918   1.867 -12.514
    7    HD1  HIS   1           HD1      HIS   1  27.371   2.885 -14.912
    8    HD2  HIS   1           HD2      HIS   1  31.171   1.209 -14.536
    9    HE1  HIS   1           HE1      HIS   1  28.261   2.590 -17.265
   10    H    SER   2           HN       SER   2  27.178   5.003 -12.116
   11    HA   SER   2           HA       SER   2  25.641   5.703 -10.476
   12   1HB   SER   2          HB2       SER   2  26.494   3.073  -9.219
   13   2HB   SER   2          HB1       SER   2  24.994   3.939  -8.898
   14    HG   SER   2           HG       SER   2  24.508   2.439 -10.432
   15    H    SER   3           HN       SER   3  27.315   7.407  -9.962
   16    HA   SER   3           HA       SER   3  29.184   7.115  -7.791
   17   1HB   SER   3          HB2       SER   3  29.051   9.668  -7.890
   18   2HB   SER   3          HB1       SER   3  29.450   8.869  -9.407
   19    HG   SER   3           HG       SER   3  27.817  10.404  -9.727
   20    H    GLY   4           HN       GLY   4  28.929   7.546  -5.584
   21   1HA   GLY   4          HA2       GLY   4  27.772   8.415  -3.651
   22   2HA   GLY   4          HA1       GLY   4  26.298   8.509  -4.613
   23    H    TYR   5           HN       TYR   5  25.551   6.254  -5.453
   24    HA   TYR   5           HA       TYR   5  24.818   4.062  -4.999
   25   1HB   TYR   5          HB2       TYR   5  27.508   4.158  -4.386
   26   2HB   TYR   5          HB1       TYR   5  26.806   3.554  -2.885
   27    HD1  TYR   5           HD1      TYR   5  27.832   2.706  -6.205
   28    HD2  TYR   5           HD2      TYR   5  25.100   1.604  -3.077
   29    HE1  TYR   5           HE1      TYR   5  27.556   0.467  -7.234
   30    HE2  TYR   5           HE2      TYR   5  24.825  -0.634  -4.107
   31    HH   TYR   5           HH       TYR   5  25.248  -1.446  -6.879
   32    H    THR   6           HN       THR   6  22.904   3.998  -3.902
   33    HA   THR   6           HA       THR   6  22.683   5.112  -1.171
   34    HB   THR   6           HB       THR   6  20.662   3.867  -3.070
   35    HG1  THR   6           HG1      THR   6  20.276   5.902  -3.712
   36   1HG2  THR   6          HG21      THR   6  20.289   5.509  -0.548
   37   2HG2  THR   6          HG22      THR   6  19.913   3.796  -0.732
   38   3HG2  THR   6          HG23      THR   6  18.994   5.002  -1.632
   39    H    ARG   7           HN       ARG   7  22.631   3.839   0.640
   40    HA   ARG   7           HA       ARG   7  23.103   0.966   0.438
   41   1HB   ARG   7          HB2       ARG   7  22.676   2.943   2.692
   42   2HB   ARG   7          HB1       ARG   7  22.964   1.229   2.986
   43   1HG   ARG   7          HG2       ARG   7  25.175   1.519   2.705
   44   2HG   ARG   7          HG1       ARG   7  24.904   2.177   1.091
   45   1HD   ARG   7          HD2       ARG   7  25.449   4.244   1.834
   46   2HD   ARG   7          HD1       ARG   7  24.150   4.165   3.040
   47    HE   ARG   7           HE       ARG   7  26.928   3.145   3.483
   48   1HH1  ARG   7          HH11      ARG   7  24.675   1.883   5.100
   49   2HH1  ARG   7          HH12      ARG   7  24.718   2.839   6.544
   50   1HH2  ARG   7          HH21      ARG   7  26.628   5.372   5.121
   51   2HH2  ARG   7          HH22      ARG   7  25.828   4.823   6.555
   52    HA   PRO   8           HA       PRO   8  18.839  -0.210   0.625
   53   1HB   PRO   8          HB2       PRO   8  19.163  -2.815   1.392
   54   2HB   PRO   8          HB1       PRO   8  19.510  -2.242  -0.251
   55   1HG   PRO   8          HG2       PRO   8  21.377  -2.853   1.975
   56   2HG   PRO   8          HG1       PRO   8  21.574  -3.099   0.234
   57   1HD   PRO   8          HD2       PRO   8  22.708  -1.035   1.655
   58   2HD   PRO   8          HD1       PRO   8  22.390  -0.999  -0.092
   59    H    LEU   9           HN       LEU   9  17.224  -0.375   2.218
   60    HA   LEU   9           HA       LEU   9  17.970   0.224   4.969
   61   1HB   LEU   9          HB2       LEU   9  15.550   0.033   3.273
   62   2HB   LEU   9          HB1       LEU   9  15.284  -0.313   4.981
   63    HG   LEU   9           HG       LEU   9  16.609   1.843   5.452
   64   1HD1  LEU   9          HD11      LEU   9  15.952   2.251   2.517
   65   2HD1  LEU   9          HD12      LEU   9  17.570   2.102   3.203
   66   3HD1  LEU   9          HD13      LEU   9  16.567   3.496   3.604
   67   1HD2  LEU   9          HD21      LEU   9  14.280   1.904   5.878
   68   2HD2  LEU   9          HD22      LEU   9  13.877   1.753   4.167
   69   3HD2  LEU   9          HD23      LEU   9  14.546   3.263   4.786
   70    H    ARG  10           HN       ARG  10  16.915  -1.101   6.793
   71    HA   ARG  10           HA       ARG  10  17.948  -3.748   6.866
   72   1HB   ARG  10          HB2       ARG  10  16.900  -1.931   8.627
   73   2HB   ARG  10          HB1       ARG  10  15.610  -3.132   8.578
   74   1HG   ARG  10          HG2       ARG  10  17.873  -4.706   8.731
   75   2HG   ARG  10          HG1       ARG  10  18.302  -3.325   9.742
   76   1HD   ARG  10          HD2       ARG  10  16.566  -3.725  11.261
   77   2HD   ARG  10          HD1       ARG  10  15.596  -4.611  10.067
   78    HE   ARG  10           HE       ARG  10  17.295  -6.450  10.219
   79   1HH1  ARG  10          HH21      ARG  10  19.505  -5.079  11.608
   80   2HH1  ARG  10          HH22      ARG  10  19.294  -5.563  13.257
   81   1HH2  ARG  10          HH11      ARG  10  16.013  -6.616  12.804
   82   2HH2  ARG  10          HH12      ARG  10  17.309  -6.432  13.938
   83    H    LYS  11           HN       LYS  11  17.234  -5.426   5.616
   84    HA   LYS  11           HA       LYS  11  14.723  -5.558   4.274
   85   1HB   LYS  11          HB2       LYS  11  15.415  -7.962   3.933
   86   2HB   LYS  11          HB1       LYS  11  16.670  -6.793   3.527
   87   1HG   LYS  11          HG2       LYS  11  18.063  -7.732   5.023
   88   2HG   LYS  11          HG1       LYS  11  16.898  -7.452   6.315
   89   1HD   LYS  11          HD2       LYS  11  15.694  -9.545   5.566
   90   2HD   LYS  11          HD1       LYS  11  17.045  -9.854   4.475
   91   1HE   LYS  11          HE2       LYS  11  17.780 -11.046   6.333
   92   2HE   LYS  11          HE1       LYS  11  18.451  -9.453   6.736
   93   1HZ   LYS  11          HZ1       LYS  11  17.222  -9.974   8.615
   94   2HZ   LYS  11          HZ2       LYS  11  15.980 -10.726   7.734
   95   3HZ   LYS  11          HZ3       LYS  11  16.122  -9.032   7.730
   96    HA   PRO  12           HA       PRO  12  12.303  -6.773   7.841
   97   1HB   PRO  12          HB2       PRO  12   9.879  -6.629   6.583
   98   2HB   PRO  12          HB1       PRO  12  10.758  -5.197   7.149
   99   1HG   PRO  12          HG2       PRO  12  10.475  -6.280   4.407
  100   2HG   PRO  12          HG1       PRO  12  10.605  -4.603   4.955
  101   1HD   PRO  12          HD2       PRO  12  12.664  -6.083   3.840
  102   2HD   PRO  12          HD1       PRO  12  12.867  -4.619   4.823
  103    H    SER  13           HN       SER  13   9.973  -8.316   7.539
  104    HA   SER  13           HA       SER  13  11.106 -10.913   6.644
  105   1HB   SER  13          HB2       SER  13   9.081  -9.929   8.594
  106   2HB   SER  13          HB1       SER  13   8.784 -11.516   7.891
  107    HG   SER  13           HG       SER  13  10.851 -10.631   9.554
  108    H    ARG  14           HN       ARG  14  10.605  -9.703   4.381
  109    HA   ARG  14           HA       ARG  14   9.451  -9.924   2.343
  110   1HB   ARG  14          HB2       ARG  14   9.181 -12.263   3.403
  111   2HB   ARG  14          HB1       ARG  14   7.552 -11.745   3.826
  112   1HG   ARG  14          HG2       ARG  14   7.222 -12.771   1.746
  113   2HG   ARG  14          HG1       ARG  14   7.376 -11.071   1.307
  114   1HD   ARG  14          HD2       ARG  14   9.778 -11.418   0.790
  115   2HD   ARG  14          HD1       ARG  14   9.609 -13.135   1.209
  116    HE   ARG  14           HE       ARG  14   7.648 -12.190  -0.762
  117   1HH1  ARG  14          HH21      ARG  14   8.529 -15.009  -0.683
  118   2HH1  ARG  14          HH22      ARG  14   9.634 -15.109  -2.012
  119   1HH2  ARG  14          HH11      ARG  14  10.045 -11.665  -2.265
  120   2HH2  ARG  14          HH12      ARG  14  10.497 -13.207  -2.912
  121    HA   PRO  15           HA       PRO  15   6.282  -6.870   2.964
  122   1HB   PRO  15          HB2       PRO  15   5.625  -6.496   0.338
  123   2HB   PRO  15          HB1       PRO  15   7.109  -5.844   1.062
  124   1HG   PRO  15          HG2       PRO  15   6.736  -8.239  -0.656
  125   2HG   PRO  15          HG1       PRO  15   8.068  -7.075  -0.613
  126   1HD   PRO  15          HD2       PRO  15   8.165  -9.567   0.525
  127   2HD   PRO  15          HD1       PRO  15   9.154  -8.188   1.051
  128    H    ILE  16           HN       ILE  16   3.931  -6.573   2.263
  129    HA   ILE  16           HA       ILE  16   2.366  -8.892   2.830
  130    HB   ILE  16           HB       ILE  16   1.781  -6.186   1.589
  131   1HG1  ILE  16          HG12      ILE  16   1.131  -7.341   4.321
  132   2HG1  ILE  16          HG11      ILE  16   2.535  -6.329   3.983
  133   1HG2  ILE  16          HG21      ILE  16  -0.619  -6.667   2.066
  134   2HG2  ILE  16          HG22      ILE  16  -0.185  -8.329   2.461
  135   3HG2  ILE  16          HG23      ILE  16   0.038  -7.726   0.819
  136   1HD1  ILE  16          HD11      ILE  16   0.796  -4.893   4.852
  137   2HD1  ILE  16          HD12      ILE  16  -0.384  -5.552   3.719
  138   3HD1  ILE  16          HD13      ILE  16   0.948  -4.560   3.127
  139    H    PHE  17           HN       PHE  17   0.838  -9.997   1.367
  140    HA   PHE  17           HA       PHE  17   2.002 -11.000  -1.037
  141   1HB   PHE  17          HB2       PHE  17  -0.660 -11.077   0.337
  142   2HB   PHE  17          HB1       PHE  17  -0.564 -11.673  -1.317
  143    HD1  PHE  17           HD1      PHE  17   1.154 -13.462  -1.885
  144    HD2  PHE  17           HD2      PHE  17   0.177 -12.364   2.152
  145    HE1  PHE  17           HE1      PHE  17   2.143 -15.583  -1.069
  146    HE2  PHE  17           HE2      PHE  17   1.167 -14.487   2.968
  147    HZ   PHE  17           HZ       PHE  17   2.150 -16.096   1.358
  148    H    ILE  18           HN       ILE  18   0.553 -10.953  -3.147
  149    HA   ILE  18           HA       ILE  18   0.835  -8.550  -4.512
  150    HB   ILE  18           HB       ILE  18  -1.185 -10.793  -4.779
  151   1HG1  ILE  18          HG12      ILE  18   0.933 -10.414  -6.782
  152   2HG1  ILE  18          HG11      ILE  18   1.551 -10.720  -5.162
  153   1HG2  ILE  18          HG21      ILE  18  -2.149  -8.919  -5.954
  154   2HG2  ILE  18          HG22      ILE  18  -1.405  -9.964  -7.164
  155   3HG2  ILE  18          HG23      ILE  18  -0.589  -8.486  -6.654
  156   1HD1  ILE  18          HD11      ILE  18   0.026 -12.703  -5.010
  157   2HD1  ILE  18          HD12      ILE  18   1.235 -12.854  -6.285
  158   3HD1  ILE  18          HD13      ILE  18  -0.429 -12.432  -6.692
  159    H    ARG  19           HN       ARG  19  -0.293  -6.649  -4.666
  160    HA   ARG  19           HA       ARG  19  -2.251  -5.946  -2.672
  161   1HB   ARG  19          HB2       ARG  19  -0.764  -4.278  -3.463
  162   2HB   ARG  19          HB1       ARG  19  -1.098  -4.662  -5.148
  163   1HG   ARG  19          HG2       ARG  19  -2.271  -2.633  -4.697
  164   2HG   ARG  19          HG1       ARG  19  -3.497  -3.897  -4.715
  165   1HD   ARG  19          HD2       ARG  19  -4.042  -3.487  -2.549
  166   2HD   ARG  19          HD1       ARG  19  -2.340  -3.566  -2.048
  167    HE   ARG  19           HE       ARG  19  -3.689  -1.124  -3.124
  168   1HH1  ARG  19          HH11      ARG  19  -0.580  -1.932  -3.286
  169   2HH1  ARG  19          HH12      ARG  19   0.027  -0.831  -2.096
  170   1HH2  ARG  19          HH21      ARG  19  -3.118  -0.011  -0.867
  171   2HH2  ARG  19          HH22      ARG  19  -1.413   0.254  -0.719
  172    HA   PRO  20           HA       PRO  20  -5.694  -7.576  -4.995
  173   1HB   PRO  20          HB2       PRO  20  -7.585  -6.942  -3.113
  174   2HB   PRO  20          HB1       PRO  20  -6.527  -8.363  -2.993
  175   1HG   PRO  20          HG2       PRO  20  -6.335  -5.740  -1.614
  176   2HG   PRO  20          HG1       PRO  20  -5.948  -7.360  -1.021
  177   1HD   PRO  20          HD2       PRO  20  -4.068  -5.545  -1.856
  178   2HD   PRO  20          HD1       PRO  20  -3.830  -7.299  -1.866
  179    H    ILE  21           HN       ILE  21  -7.676  -6.630  -5.909
  180    HA   ILE  21           HA       ILE  21  -7.327  -3.878  -6.760
  181    HB   ILE  21           HB       ILE  21  -9.578  -5.892  -7.114
  182   1HG1  ILE  21          HG12      ILE  21  -7.905  -5.387  -9.424
  183   2HG1  ILE  21          HG11      ILE  21  -6.919  -5.905  -8.060
  184   1HG2  ILE  21          HG21      ILE  21 -10.039  -4.508  -9.185
  185   2HG2  ILE  21          HG22      ILE  21  -8.936  -3.294  -8.537
  186   3HG2  ILE  21          HG23      ILE  21 -10.414  -3.699  -7.664
  187   1HD1  ILE  21          HD11      ILE  21  -7.565  -7.938  -9.062
  188   2HD1  ILE  21          HD12      ILE  21  -9.197  -7.360  -9.394
  189   3HD1  ILE  21          HD13      ILE  21  -8.719  -7.753  -7.742
  190    H    GLY  22           HN       GLY  22  -9.061  -2.247  -6.551
  191   1HA   GLY  22          HA2       GLY  22 -11.102  -1.472  -5.384
  192   2HA   GLY  22          HA1       GLY  22 -10.619  -2.472  -4.015
  193    H    CYS  23           HN       CYS  23  -8.219  -1.901  -3.321
  194    HA   CYS  23           HA       CYS  23  -8.233   0.783  -2.287
  195   1HB   CYS  23          HB2       CYS  23  -6.325  -1.520  -2.450
  196   2HB   CYS  23          HB1       CYS  23  -5.728   0.022  -1.860
  197    H    ASP  24           HN       ASP  24  -6.775  -0.650  -5.160
  198    HA   ASP  24           HA       ASP  24  -5.144   1.718  -5.751
  199   1HB   ASP  24          HB2       ASP  24  -5.583  -1.029  -6.740
  200   2HB   ASP  24          HB1       ASP  24  -5.196   0.136  -8.004
  201    H    VAL  25           HN       VAL  25  -8.350   1.542  -5.734
  202    HA   VAL  25           HA       VAL  25  -8.672   3.261  -8.128
  203    HB   VAL  25           HB       VAL  25 -10.567   1.007  -7.380
  204   1HG1  VAL  25          HG11      VAL  25 -10.422   3.083  -9.513
  205   2HG1  VAL  25          HG12      VAL  25 -11.832   2.375  -8.725
  206   3HG1  VAL  25          HG13      VAL  25 -10.992   1.485  -9.994
  207   1HG2  VAL  25          HG21      VAL  25  -9.594  -0.087  -9.489
  208   2HG2  VAL  25          HG22      VAL  25  -8.565  -0.114  -8.057
  209   3HG2  VAL  25          HG23      VAL  25  -8.260   1.056  -9.341
  210    H    CYS  26           HN       CYS  26  -8.477   4.562  -5.923
  211    HA   CYS  26           HA       CYS  26 -10.436   4.712  -3.944
  212   1HB   CYS  26          HB2       CYS  26  -8.813   6.802  -5.405
  213   2HB   CYS  26          HB1       CYS  26  -9.825   7.222  -4.028
  214    H    TYR  27           HN       TYR  27 -10.740   5.655  -7.313
  215    HA   TYR  27           HA       TYR  27 -13.381   6.926  -6.746
  216   1HB   TYR  27          HB2       TYR  27 -11.671   6.916  -9.251
  217   2HB   TYR  27          HB1       TYR  27 -13.088   7.921  -8.963
  218    HD1  TYR  27           HD1      TYR  27  -9.538   7.699  -8.650
  219    HD2  TYR  27           HD2      TYR  27 -13.022   9.481  -6.877
  220    HE1  TYR  27           HE1      TYR  27  -8.110   9.406  -7.557
  221    HE2  TYR  27           HE2      TYR  27 -11.594  11.187  -5.785
  222    HH   TYR  27           HH       TYR  27  -8.931  11.155  -5.055
  223    H    GLY  28           HN       GLY  28 -15.197   5.811  -7.287
  224   1HA   GLY  28          HA2       GLY  28 -16.423   4.508  -9.004
  225   2HA   GLY  28          HA1       GLY  28 -14.958   3.559  -9.238
  226    H    ILE  29           HN       ILE  29 -14.436   3.422  -6.299
  227    HA   ILE  29           HA       ILE  29 -16.168   1.110  -5.758
  228    HB   ILE  29           HB       ILE  29 -14.631   0.743  -3.896
  229   1HG1  ILE  29          HG12      ILE  29 -13.424   3.443  -4.584
  230   2HG1  ILE  29          HG11      ILE  29 -14.487   3.152  -3.207
  231   1HG2  ILE  29          HG21      ILE  29 -13.077   1.764  -6.287
  232   2HG2  ILE  29          HG22      ILE  29 -13.891   0.201  -6.225
  233   3HG2  ILE  29          HG23      ILE  29 -12.554   0.543  -5.127
  234   1HD1  ILE  29          HD11      ILE  29 -12.251   1.248  -3.395
  235   2HD1  ILE  29          HD12      ILE  29 -12.847   2.152  -2.004
  236   3HD1  ILE  29          HD13      ILE  29 -11.745   2.919  -3.146
  237    HA   PRO  30           HA       PRO  30 -18.921   3.103  -3.008
  238   1HB   PRO  30          HB2       PRO  30 -19.349   1.138  -1.144
  239   2HB   PRO  30          HB1       PRO  30 -20.034   1.109  -2.780
  240   1HG   PRO  30          HG2       PRO  30 -17.752  -0.395  -1.661
  241   2HG   PRO  30          HG1       PRO  30 -18.895  -0.853  -2.925
  242   1HD   PRO  30          HD2       PRO  30 -16.297   0.017  -3.359
  243   2HD   PRO  30          HD1       PRO  30 -17.589   0.009  -4.572
  244    H    SER  31           HN       SER  31 -19.071   4.131  -0.933
  245    HA   SER  31           HA       SER  31 -16.648   5.032   0.229
  246   1HB   SER  31          HB2       SER  31 -19.079   5.938   0.293
  247   2HB   SER  31          HB1       SER  31 -19.284   4.886   1.690
  248    HG   SER  31           HG       SER  31 -17.601   7.116   1.338
  249    H    SER  32           HN       SER  32 -18.824   2.392   1.278
  250    HA   SER  32           HA       SER  32 -17.544   1.826   3.771
  251   1HB   SER  32          HB2       SER  32 -19.768   0.984   2.662
  252   2HB   SER  32          HB1       SER  32 -18.749  -0.277   1.973
  253    HG   SER  32           HG       SER  32 -19.574   0.144   4.580
  254    H    THR  33           HN       THR  33 -16.987   0.452   0.510
  255    HA   THR  33           HA       THR  33 -14.815  -1.280   1.310
  256    HB   THR  33           HB       THR  33 -15.538   0.020  -1.338
  257    HG1  THR  33           HG1      THR  33 -16.075  -2.595  -0.376
  258   1HG2  THR  33          HG21      THR  33 -13.470  -1.983  -0.556
  259   2HG2  THR  33          HG22      THR  33 -13.426  -0.757  -1.823
  260   3HG2  THR  33          HG23      THR  33 -14.331  -2.251  -2.073
  261    H    ALA  34           HN       ALA  34 -14.992   2.039   0.037
  262    HA   ALA  34           HA       ALA  34 -12.181   2.507  -0.215
  263   1HB   ALA  34          HB1       ALA  34 -13.272   4.960   0.322
  264   2HB   ALA  34          HB2       ALA  34 -14.714   4.045  -0.118
  265   3HB   ALA  34          HB3       ALA  34 -13.370   4.171  -1.252
  266    H    ARG  35           HN       ARG  35 -14.435   2.972   2.521
  267    HA   ARG  35           HA       ARG  35 -12.587   4.259   4.301
  268   1HB   ARG  35          HB2       ARG  35 -15.082   2.579   4.647
  269   2HB   ARG  35          HB1       ARG  35 -14.197   3.190   6.043
  270   1HG   ARG  35          HG2       ARG  35 -14.562   5.444   5.449
  271   2HG   ARG  35          HG1       ARG  35 -15.008   5.028   3.795
  272   1HD   ARG  35          HD2       ARG  35 -16.967   3.696   4.940
  273   2HD   ARG  35          HD1       ARG  35 -16.644   4.779   6.309
  274    HE   ARG  35           HE       ARG  35 -17.598   5.615   3.633
  275   1HH1  ARG  35          HH11      ARG  35 -18.627   6.434   6.432
  276   2HH1  ARG  35          HH12      ARG  35 -18.102   8.083   6.490
  277   1HH2  ARG  35          HH21      ARG  35 -15.908   7.749   3.812
  278   2HH2  ARG  35          HH22      ARG  35 -16.555   8.832   4.998
  279    H    LEU  36           HN       LEU  36 -13.353   0.807   3.774
  280    HA   LEU  36           HA       LEU  36 -11.628  -0.264   5.807
  281   1HB   LEU  36          HB2       LEU  36 -13.460  -1.199   3.970
  282   2HB   LEU  36          HB1       LEU  36 -11.946  -1.795   3.295
  283    HG   LEU  36           HG       LEU  36 -12.927  -3.446   4.839
  284   1HD1  LEU  36          HD11      LEU  36 -10.513  -2.190   6.162
  285   2HD1  LEU  36          HD12      LEU  36 -10.409  -3.083   4.645
  286   3HD1  LEU  36          HD13      LEU  36 -10.954  -3.897   6.111
  287   1HD2  LEU  36          HD21      LEU  36 -13.285  -2.969   7.164
  288   2HD2  LEU  36          HD22      LEU  36 -14.064  -1.667   6.265
  289   3HD2  LEU  36          HD23      LEU  36 -12.497  -1.397   7.029
  290    H    CYS  37           HN       CYS  37 -11.096   0.569   2.392
  291    HA   CYS  37           HA       CYS  37  -8.427  -0.418   2.092
  292   1HB   CYS  37          HB2       CYS  37 -10.320   1.429   0.773
  293   2HB   CYS  37          HB1       CYS  37  -8.628   1.800   0.473
  294    H    CYS  38           HN       CYS  38  -9.695   2.641   3.387
  295    HA   CYS  38           HA       CYS  38  -7.098   3.946   3.590
  296   1HB   CYS  38          HB2       CYS  38  -9.166   5.200   3.356
  297   2HB   CYS  38          HB1       CYS  38  -9.842   4.437   4.791
  298    H    PHE  39           HN       PHE  39  -9.226   2.152   5.800
  299    HA   PHE  39           HA       PHE  39  -7.741   2.615   8.213
  300   1HB   PHE  39          HB2       PHE  39  -9.960   1.895   8.446
  301   2HB   PHE  39          HB1       PHE  39  -9.789   0.651   7.212
  302    HD1  PHE  39           HD1      PHE  39  -8.367   1.587  10.563
  303    HD2  PHE  39           HD2      PHE  39  -9.543  -1.562   7.889
  304    HE1  PHE  39           HE1      PHE  39  -7.857  -0.092  12.315
  305    HE2  PHE  39           HE2      PHE  39  -9.033  -3.240   9.641
  306    HZ   PHE  39           HZ       PHE  39  -8.188  -2.505  11.853
  307    H    ARG  40           HN       ARG  40  -7.538   0.030   5.760
  308    HA   ARG  40           HA       ARG  40  -5.356  -1.260   7.311
  309   1HB   ARG  40          HB2       ARG  40  -7.272  -2.011   5.152
  310   2HB   ARG  40          HB1       ARG  40  -5.741  -2.878   5.211
  311   1HG   ARG  40          HG2       ARG  40  -7.683  -2.586   7.521
  312   2HG   ARG  40          HG1       ARG  40  -7.471  -4.036   6.544
  313   1HD   ARG  40          HD2       ARG  40  -5.219  -2.752   8.135
  314   2HD   ARG  40          HD1       ARG  40  -6.202  -4.103   8.727
  315    HE   ARG  40           HE       ARG  40  -5.063  -4.534   6.054
  316   1HH1  ARG  40          HH21      ARG  40  -5.667  -6.826   7.776
  317   2HH1  ARG  40          HH22      ARG  40  -4.120  -7.265   8.420
  318   1HH2  ARG  40          HH11      ARG  40  -2.629  -4.231   7.610
  319   2HH2  ARG  40          HH12      ARG  40  -2.393  -5.792   8.324
  320    H    TYR  41           HN       TYR  41  -5.883  -0.345   3.868
  321    HA   TYR  41           HA       TYR  41  -3.012  -0.472   3.332
  322   1HB   TYR  41          HB2       TYR  41  -5.444   0.378   1.754
  323   2HB   TYR  41          HB1       TYR  41  -3.819   0.351   1.079
  324    HD1  TYR  41           HD1      TYR  41  -2.745  -1.704   0.471
  325    HD2  TYR  41           HD2      TYR  41  -6.508  -1.749   2.540
  326    HE1  TYR  41           HE1      TYR  41  -2.980  -4.127  -0.010
  327    HE2  TYR  41           HE2      TYR  41  -6.739  -4.170   2.065
  328    HH   TYR  41           HH       TYR  41  -4.315  -6.112   1.206
  329    H    GLY  42           HN       GLY  42  -5.418   2.094   3.772
  330   1HA   GLY  42          HA2       GLY  42  -4.841   4.263   4.667
  331   2HA   GLY  42          HA1       GLY  42  -3.191   4.032   4.100
  332    H    ASP  43           HN       ASP  43  -5.515   3.105   1.753
  333    HA   ASP  43           HA       ASP  43  -4.986   5.629   0.249
  334   1HB   ASP  43          HB2       ASP  43  -6.158   3.173  -1.008
  335   2HB   ASP  43          HB1       ASP  43  -5.034   4.338  -1.687
  336    H    CYS  44           HN       CYS  44  -6.758   6.590  -0.931
  337    HA   CYS  44           HA       CYS  44  -8.979   7.350  -1.193
  338   1HB   CYS  44          HB2       CYS  44  -9.807   4.669  -0.078
  339   2HB   CYS  44          HB1       CYS  44 -10.646   5.647  -1.270
  340    H    CYS  45           HN       CYS  45  -7.619   7.983   1.231
  341    HA   CYS  45           HA       CYS  45  -9.422   7.505   3.502
  342   1HB   CYS  45          HB2       CYS  45  -6.855   9.010   2.987
  343   2HB   CYS  45          HB1       CYS  45  -7.691   9.137   4.531
  344    H    HIS  46           HN       HIS  46  -8.226  10.435   1.837
  345    HA   HIS  46           HA       HIS  46 -10.542  11.968   2.891
  346   1HB   HIS  46          HB2       HIS  46  -9.185  13.906   1.951
  347   2HB   HIS  46          HB1       HIS  46  -8.382  12.979   3.214
  348    HD1  HIS  46           HD1      HIS  46  -6.188  11.869   2.620
  349    HD2  HIS  46           HD2      HIS  46  -8.209  13.259  -0.752
  350    HE1  HIS  46           HE1      HIS  46  -4.604  11.581   0.665
  351    H    LEU  47           HN       LEU  47 -11.547  10.238   1.075
  352    HA   LEU  47           HA       LEU  47 -11.521  11.343  -1.649
  353   1HB   LEU  47          HB2       LEU  47 -11.776   8.879  -0.765
  354   2HB   LEU  47          HB1       LEU  47 -13.476   9.316  -0.584
  355    HG   LEU  47           HG       LEU  47 -13.158  10.235  -3.054
  356   1HD1  LEU  47          HD11      LEU  47 -10.898   9.859  -3.503
  357   2HD1  LEU  47          HD12      LEU  47 -11.642   8.418  -4.195
  358   3HD1  LEU  47          HD13      LEU  47 -10.871   8.337  -2.611
  359   1HD2  LEU  47          HD21      LEU  47 -14.759   8.504  -2.489
  360   2HD2  LEU  47          HD22      LEU  47 -13.470   7.318  -2.280
  361   3HD2  LEU  47          HD23      LEU  47 -13.833   7.953  -3.885
  Start of MODEL   11
    1   1H    HIS   1           HT1      HIS   1 -31.934  -5.811 -12.626
    2   2H    HIS   1           HT2      HIS   1 -30.425  -6.512 -12.965
    3   3H    HIS   1           HT3      HIS   1 -30.514  -5.067 -12.074
    4    HA   HIS   1           HA       HIS   1 -31.579  -7.697 -11.160
    5   1HB   HIS   1          HB2       HIS   1 -28.969  -6.949 -11.465
    6   2HB   HIS   1          HB1       HIS   1 -29.293  -6.343  -9.841
    7    HD1  HIS   1           HD1      HIS   1 -28.858  -9.482 -11.790
    8    HD2  HIS   1           HD2      HIS   1 -30.043  -8.396  -7.943
    9    HE1  HIS   1           HE1      HIS   1 -28.836 -11.603 -10.407
   10    H    SER   2           HN       SER   2 -32.153  -7.581  -8.827
   11    HA   SER   2           HA       SER   2 -33.198  -4.877  -8.083
   12   1HB   SER   2          HB2       SER   2 -34.283  -7.502  -8.185
   13   2HB   SER   2          HB1       SER   2 -34.186  -7.064  -6.481
   14    HG   SER   2           HG       SER   2 -36.090  -6.239  -7.202
   15    H    SER   3           HN       SER   3 -31.808  -3.860  -6.665
   16    HA   SER   3           HA       SER   3 -30.730  -5.465  -4.377
   17   1HB   SER   3          HB2       SER   3 -29.085  -4.987  -6.262
   18   2HB   SER   3          HB1       SER   3 -29.255  -3.277  -5.871
   19    HG   SER   3           HG       SER   3 -28.177  -3.577  -4.054
   20    H    GLY   4           HN       GLY   4 -31.787  -4.613  -2.621
   21   1HA   GLY   4          HA2       GLY   4 -32.912  -1.985  -2.496
   22   2HA   GLY   4          HA1       GLY   4 -32.643  -3.039  -1.108
   23    H    TYR   5           HN       TYR   5 -29.897  -3.322  -1.097
   24    HA   TYR   5           HA       TYR   5 -29.039  -0.631  -0.230
   25   1HB   TYR   5          HB2       TYR   5 -28.690  -3.191   0.700
   26   2HB   TYR   5          HB1       TYR   5 -27.162  -2.916  -0.138
   27    HD1  TYR   5           HD1      TYR   5 -25.931  -0.680   0.357
   28    HD2  TYR   5           HD2      TYR   5 -29.026  -2.309   2.852
   29    HE1  TYR   5           HE1      TYR   5 -25.145   0.719   2.246
   30    HE2  TYR   5           HE2      TYR   5 -28.239  -0.910   4.742
   31    HH   TYR   5           HH       TYR   5 -26.921   1.349   4.935
   32    H    THR   6           HN       THR   6 -27.507   0.599  -1.307
   33    HA   THR   6           HA       THR   6 -26.611  -0.363  -3.975
   34    HB   THR   6           HB       THR   6 -26.343   2.397  -2.753
   35    HG1  THR   6           HG1      THR   6 -28.555   1.210  -4.076
   36   1HG2  THR   6          HG21      THR   6 -26.665   2.976  -5.237
   37   2HG2  THR   6          HG22      THR   6 -26.379   1.264  -5.549
   38   3HG2  THR   6          HG23      THR   6 -25.128   2.241  -4.780
   39    H    ARG   7           HN       ARG   7 -24.332   0.073  -4.592
   40    HA   ARG   7           HA       ARG   7 -22.438   0.209  -2.286
   41   1HB   ARG   7          HB2       ARG   7 -23.149  -2.114  -3.458
   42   2HB   ARG   7          HB1       ARG   7 -21.853  -1.634  -4.553
   43   1HG   ARG   7          HG2       ARG   7 -20.733  -2.875  -2.887
   44   2HG   ARG   7          HG1       ARG   7 -20.475  -1.200  -2.398
   45   1HD   ARG   7          HD2       ARG   7 -22.938  -1.936  -1.231
   46   2HD   ARG   7          HD1       ARG   7 -21.846  -3.308  -0.955
   47    HE   ARG   7           HE       ARG   7 -20.190  -1.625  -0.053
   48   1HH1  ARG   7          HH11      ARG   7 -22.553  -1.855   1.807
   49   2HH1  ARG   7          HH12      ARG   7 -22.942  -0.193   2.096
   50   1HH2  ARG   7          HH21      ARG   7 -21.102   0.974  -0.615
   51   2HH2  ARG   7          HH22      ARG   7 -22.117   1.418   0.715
   52    HA   PRO   8           HA       PRO   8 -21.204   3.007  -5.779
   53   1HB   PRO   8          HB2       PRO   8 -20.824   5.234  -4.232
   54   2HB   PRO   8          HB1       PRO   8 -22.396   4.800  -4.933
   55   1HG   PRO   8          HG2       PRO   8 -21.397   4.439  -2.158
   56   2HG   PRO   8          HG1       PRO   8 -23.019   4.856  -2.731
   57   1HD   PRO   8          HD2       PRO   8 -22.280   2.353  -1.888
   58   2HD   PRO   8          HD1       PRO   8 -23.615   2.670  -3.015
   59    H    LEU   9           HN       LEU   9 -19.040   3.236  -6.319
   60    HA   LEU   9           HA       LEU   9 -16.701   3.058  -6.136
   61   1HB   LEU   9          HB2       LEU   9 -17.350   5.124  -4.745
   62   2HB   LEU   9          HB1       LEU   9 -17.156   4.095  -3.326
   63    HG   LEU   9           HG       LEU   9 -14.825   3.566  -4.105
   64   1HD1  LEU   9          HD11      LEU   9 -15.568   5.640  -6.181
   65   2HD1  LEU   9          HD12      LEU   9 -14.960   4.007  -6.454
   66   3HD1  LEU   9          HD13      LEU   9 -13.894   5.246  -5.790
   67   1HD2  LEU   9          HD21      LEU   9 -15.143   5.273  -2.406
   68   2HD2  LEU   9          HD22      LEU   9 -15.553   6.473  -3.632
   69   3HD2  LEU   9          HD23      LEU   9 -13.910   5.838  -3.534
   70    H    ARG  10           HN       ARG  10 -17.499   0.636  -5.999
   71    HA   ARG  10           HA       ARG  10 -17.357  -0.818  -3.534
   72   1HB   ARG  10          HB2       ARG  10 -18.188  -1.380  -5.986
   73   2HB   ARG  10          HB1       ARG  10 -16.540  -1.977  -6.183
   74   1HG   ARG  10          HG2       ARG  10 -16.940  -3.273  -3.988
   75   2HG   ARG  10          HG1       ARG  10 -18.650  -2.918  -4.241
   76   1HD   ARG  10          HD2       ARG  10 -18.809  -4.567  -5.788
   77   2HD   ARG  10          HD1       ARG  10 -17.448  -3.889  -6.703
   78    HE   ARG  10           HE       ARG  10 -15.920  -5.183  -5.303
   79   1HH1  ARG  10          HH11      ARG  10 -17.681  -5.299  -2.844
   80   2HH1  ARG  10          HH12      ARG  10 -18.160  -6.964  -2.835
   81   1HH2  ARG  10          HH21      ARG  10 -17.222  -7.520  -6.137
   82   2HH2  ARG  10          HH22      ARG  10 -17.897  -8.226  -4.708
   83    H    LYS  11           HN       LYS  11 -15.568  -1.027  -2.267
   84    HA   LYS  11           HA       LYS  11 -13.330  -1.272  -1.590
   85   1HB   LYS  11          HB2       LYS  11 -13.809  -3.201  -3.285
   86   2HB   LYS  11          HB1       LYS  11 -12.794  -2.269  -4.384
   87   1HG   LYS  11          HG2       LYS  11 -11.264  -3.718  -3.319
   88   2HG   LYS  11          HG1       LYS  11 -11.090  -2.205  -2.428
   89   1HD   LYS  11          HD2       LYS  11 -12.996  -3.225  -0.912
   90   2HD   LYS  11          HD1       LYS  11 -12.432  -4.754  -1.585
   91   1HE   LYS  11          HE2       LYS  11 -10.317  -2.895  -0.599
   92   2HE   LYS  11          HE1       LYS  11 -11.325  -3.683   0.631
   93   1HZ   LYS  11          HZ1       LYS  11 -10.919  -5.813  -0.464
   94   2HZ   LYS  11          HZ2       LYS  11  -9.459  -5.098   0.030
   95   3HZ   LYS  11          HZ3       LYS  11  -9.918  -5.053  -1.605
   96    HA   PRO  12           HA       PRO  12 -12.130   2.584  -3.828
   97   1HB   PRO  12          HB2       PRO  12 -11.837   4.125  -1.585
   98   2HB   PRO  12          HB1       PRO  12 -13.389   3.912  -2.416
   99   1HG   PRO  12          HG2       PRO  12 -12.392   2.660   0.078
  100   2HG   PRO  12          HG1       PRO  12 -14.033   3.149  -0.367
  101   1HD   PRO  12          HD2       PRO  12 -13.086   0.557  -0.419
  102   2HD   PRO  12          HD1       PRO  12 -14.494   1.146  -1.329
  103    H    SER  13           HN       SER  13 -10.156   4.149  -2.566
  104    HA   SER  13           HA       SER  13  -7.889   2.233  -2.476
  105   1HB   SER  13          HB2       SER  13  -8.273   4.481  -3.888
  106   2HB   SER  13          HB1       SER  13  -7.551   5.198  -2.451
  107    HG   SER  13           HG       SER  13  -5.851   4.651  -3.704
  108    H    ARG  14           HN       ARG  14  -9.614   2.483  -0.126
  109    HA   ARG  14           HA       ARG  14  -9.381   2.584   2.209
  110   1HB   ARG  14          HB2       ARG  14  -7.236   1.483   1.672
  111   2HB   ARG  14          HB1       ARG  14  -6.480   3.059   1.447
  112   1HG   ARG  14          HG2       ARG  14  -7.325   3.550   3.866
  113   2HG   ARG  14          HG1       ARG  14  -7.475   1.798   3.994
  114   1HD   ARG  14          HD2       ARG  14  -4.906   2.904   2.910
  115   2HD   ARG  14          HD1       ARG  14  -5.197   3.004   4.658
  116    HE   ARG  14           HE       ARG  14  -5.749   0.492   4.485
  117   1HH1  ARG  14          HH21      ARG  14  -5.091   0.823   1.419
  118   2HH1  ARG  14          HH22      ARG  14  -3.566   0.003   1.368
  119   1HH2  ARG  14          HH11      ARG  14  -3.159  -0.003   4.821
  120   2HH2  ARG  14          HH12      ARG  14  -2.467  -0.467   3.302
  121    HA   PRO  15           HA       PRO  15  -9.677   6.930   3.033
  122   1HB   PRO  15          HB2       PRO  15 -10.023   6.783   5.741
  123   2HB   PRO  15          HB1       PRO  15 -11.305   6.372   4.584
  124   1HG   PRO  15          HG2       PRO  15  -9.512   4.583   6.139
  125   2HG   PRO  15          HG1       PRO  15 -11.218   4.381   5.712
  126   1HD   PRO  15          HD2       PRO  15  -9.156   3.114   4.430
  127   2HD   PRO  15          HD1       PRO  15 -10.732   3.457   3.685
  128    H    ILE  16           HN       ILE  16  -8.622   8.514   4.686
  129    HA   ILE  16           HA       ILE  16  -5.820   8.546   4.421
  130    HB   ILE  16           HB       ILE  16  -5.911  10.267   6.217
  131   1HG1  ILE  16          HG12      ILE  16  -8.725   9.187   6.567
  132   2HG1  ILE  16          HG11      ILE  16  -7.442   9.218   7.773
  133   1HG2  ILE  16          HG21      ILE  16  -8.402  10.608   4.564
  134   2HG2  ILE  16          HG22      ILE  16  -6.823  10.553   3.780
  135   3HG2  ILE  16          HG23      ILE  16  -7.170  11.801   4.977
  136   1HD1  ILE  16          HD11      ILE  16  -8.987  11.551   6.636
  137   2HD1  ILE  16          HD12      ILE  16  -7.453  11.774   7.477
  138   3HD1  ILE  16          HD13      ILE  16  -8.828  11.066   8.324
  139    H    PHE  17           HN       PHE  17  -4.144   7.614   5.537
  140    HA   PHE  17           HA       PHE  17  -4.544   6.465   8.226
  141   1HB   PHE  17          HB2       PHE  17  -5.373   4.834   6.451
  142   2HB   PHE  17          HB1       PHE  17  -3.709   4.737   5.878
  143    HD1  PHE  17           HD1      PHE  17  -5.750   4.399   9.005
  144    HD2  PHE  17           HD2      PHE  17  -2.234   3.196   6.848
  145    HE1  PHE  17           HE1      PHE  17  -5.237   2.734  10.769
  146    HE2  PHE  17           HE2      PHE  17  -1.722   1.531   8.613
  147    HZ   PHE  17           HZ       PHE  17  -3.224   1.299  10.574
  148    H    ILE  18           HN       ILE  18  -2.440   5.594   9.081
  149    HA   ILE  18           HA       ILE  18  -0.218   7.355   8.522
  150    HB   ILE  18           HB       ILE  18   0.930   5.914  10.176
  151   1HG1  ILE  18          HG12      ILE  18  -1.526   4.181  10.326
  152   2HG1  ILE  18          HG11      ILE  18  -0.264   3.803   9.154
  153   1HG2  ILE  18          HG21      ILE  18  -1.014   7.593  10.732
  154   2HG2  ILE  18          HG22      ILE  18  -0.400   6.521  11.991
  155   3HG2  ILE  18          HG23      ILE  18  -1.902   6.128  11.153
  156   1HD1  ILE  18          HD11      ILE  18   1.389   3.572  10.881
  157   2HD1  ILE  18          HD12      ILE  18  -0.020   2.649  11.404
  158   3HD1  ILE  18          HD13      ILE  18   0.299   4.239  12.097
  159    H    ARG  19           HN       ARG  19   2.046   5.917   8.390
  160    HA   ARG  19           HA       ARG  19   2.529   5.301   5.730
  161   1HB   ARG  19          HB2       ARG  19   4.319   5.559   7.270
  162   2HB   ARG  19          HB1       ARG  19   3.705   4.287   8.322
  163   1HG   ARG  19          HG2       ARG  19   5.528   3.302   7.161
  164   2HG   ARG  19          HG1       ARG  19   4.090   2.688   6.352
  165   1HD   ARG  19          HD2       ARG  19   4.820   3.565   4.396
  166   2HD   ARG  19          HD1       ARG  19   4.826   5.183   5.121
  167    HE   ARG  19           HE       ARG  19   7.173   3.625   4.637
  168   1HH1  ARG  19          HH21      ARG  19   6.327   6.512   5.918
  169   2HH1  ARG  19          HH22      ARG  19   7.499   6.543   7.192
  170   1HH2  ARG  19          HH11      ARG  19   8.414   3.213   6.786
  171   2HH2  ARG  19          HH12      ARG  19   8.685   4.669   7.685
  172    HA   PRO  20           HA       PRO  20   0.091   1.600   5.229
  173   1HB   PRO  20          HB2       PRO  20   0.740   1.213   2.593
  174   2HB   PRO  20          HB1       PRO  20  -0.469   2.394   3.140
  175   1HG   PRO  20          HG2       PRO  20   2.351   2.821   2.306
  176   2HG   PRO  20          HG1       PRO  20   0.926   3.830   2.028
  177   1HD   PRO  20          HD2       PRO  20   2.806   4.360   3.938
  178   2HD   PRO  20          HD1       PRO  20   1.117   4.880   4.048
  179    H    ILE  21           HN       ILE  21   0.575  -0.660   4.404
  180    HA   ILE  21           HA       ILE  21   3.098  -1.594   5.505
  181    HB   ILE  21           HB       ILE  21   0.533  -2.691   4.449
  182   1HG1  ILE  21          HG12      ILE  21   0.971  -2.124   6.846
  183   2HG1  ILE  21          HG11      ILE  21   0.530  -3.808   6.594
  184   1HG2  ILE  21          HG21      ILE  21   1.382  -5.011   4.535
  185   2HG2  ILE  21          HG22      ILE  21   3.019  -4.402   4.772
  186   3HG2  ILE  21          HG23      ILE  21   2.173  -4.089   3.257
  187   1HD1  ILE  21          HD11      ILE  21   3.434  -3.193   6.476
  188   2HD1  ILE  21          HD12      ILE  21   2.608  -4.584   7.177
  189   3HD1  ILE  21          HD13      ILE  21   2.676  -3.060   8.062
  190    H    GLY  22           HN       GLY  22   4.446  -3.177   4.267
  191   1HA   GLY  22          HA2       GLY  22   5.271  -4.012   2.113
  192   2HA   GLY  22          HA1       GLY  22   4.638  -2.550   1.359
  193    H    CYS  23           HN       CYS  23   5.586  -0.478   2.480
  194    HA   CYS  23           HA       CYS  23   8.457  -0.488   2.055
  195   1HB   CYS  23          HB2       CYS  23   6.287   1.404   2.815
  196   2HB   CYS  23          HB1       CYS  23   7.929   1.902   3.202
  197    H    ASP  24           HN       ASP  24   6.402  -0.720   4.910
  198    HA   ASP  24           HA       ASP  24   8.636  -0.275   6.774
  199   1HB   ASP  24          HB2       ASP  24   5.844  -0.105   6.806
  200   2HB   ASP  24          HB1       ASP  24   6.203  -1.486   7.842
  201    H    VAL  25           HN       VAL  25   8.271  -2.725   4.754
  202    HA   VAL  25           HA       VAL  25   9.205  -4.765   6.695
  203    HB   VAL  25           HB       VAL  25   7.170  -5.230   4.480
  204   1HG1  VAL  25          HG11      VAL  25   8.013  -7.335   4.817
  205   2HG1  VAL  25          HG12      VAL  25   6.906  -7.309   6.190
  206   3HG1  VAL  25          HG13      VAL  25   8.616  -6.950   6.430
  207   1HG2  VAL  25          HG21      VAL  25   5.993  -3.958   6.105
  208   2HG2  VAL  25          HG22      VAL  25   6.837  -4.734   7.445
  209   3HG2  VAL  25          HG23      VAL  25   5.632  -5.633   6.522
  210    H    CYS  26           HN       CYS  26  11.120  -3.608   5.487
  211    HA   CYS  26           HA       CYS  26  11.834  -3.888   2.820
  212   1HB   CYS  26          HB2       CYS  26  13.436  -4.204   5.370
  213   2HB   CYS  26          HB1       CYS  26  14.190  -4.080   3.786
  214    H    TYR  27           HN       TYR  27  11.562  -6.470   5.190
  215    HA   TYR  27           HA       TYR  27  12.892  -8.385   3.332
  216   1HB   TYR  27          HB2       TYR  27  11.901  -8.857   6.153
  217   2HB   TYR  27          HB1       TYR  27  13.106  -9.786   5.269
  218    HD1  TYR  27           HD1      TYR  27  12.580  -7.119   7.576
  219    HD2  TYR  27           HD2      TYR  27  15.248  -8.494   4.501
  220    HE1  TYR  27           HE1      TYR  27  14.363  -5.642   8.462
  221    HE2  TYR  27           HE2      TYR  27  17.031  -7.016   5.389
  222    HH   TYR  27           HH       TYR  27  17.243  -5.876   8.191
  223    H    GLY  28           HN       GLY  28  11.622  -9.704   2.109
  224   1HA   GLY  28          HA2       GLY  28   9.778 -11.346   2.026
  225   2HA   GLY  28          HA1       GLY  28   8.829 -10.248   3.023
  226    H    ILE  29           HN       ILE  29   9.832  -7.898   1.367
  227    HA   ILE  29           HA       ILE  29   7.755  -8.107  -0.710
  228    HB   ILE  29           HB       ILE  29   8.114  -5.704  -0.931
  229   1HG1  ILE  29          HG12      ILE  29  10.465  -6.055   0.962
  230   2HG1  ILE  29          HG11      ILE  29  10.616  -5.796  -0.777
  231   1HG2  ILE  29          HG21      ILE  29   7.589  -5.014   1.334
  232   2HG2  ILE  29          HG22      ILE  29   8.310  -6.484   1.990
  233   3HG2  ILE  29          HG23      ILE  29   6.833  -6.578   1.031
  234   1HD1  ILE  29          HD11      ILE  29   9.139  -3.699  -0.378
  235   2HD1  ILE  29          HD12      ILE  29  10.830  -3.625   0.118
  236   3HD1  ILE  29          HD13      ILE  29   9.568  -3.899   1.321
  237    HA   PRO  30           HA       PRO  30  10.451  -8.756  -4.089
  238   1HB   PRO  30          HB2       PRO  30   9.230  -7.285  -6.053
  239   2HB   PRO  30          HB1       PRO  30   8.603  -8.831  -5.449
  240   1HG   PRO  30          HG2       PRO  30   7.700  -6.076  -4.886
  241   2HG   PRO  30          HG1       PRO  30   6.772  -7.575  -4.956
  242   1HD   PRO  30          HD2       PRO  30   7.565  -6.291  -2.629
  243   2HD   PRO  30          HD1       PRO  30   7.069  -7.991  -2.743
  244    H    SER  31           HN       SER  31  12.111  -7.775  -5.382
  245    HA   SER  31           HA       SER  31  13.460  -5.545  -4.254
  246   1HB   SER  31          HB2       SER  31  14.213  -7.484  -5.831
  247   2HB   SER  31          HB1       SER  31  13.736  -6.397  -7.132
  248    HG   SER  31           HG       SER  31  15.907  -6.070  -6.615
  249    H    SER  32           HN       SER  32  11.259  -5.710  -7.070
  250    HA   SER  32           HA       SER  32  11.614  -3.048  -8.017
  251   1HB   SER  32          HB2       SER  32  10.369  -5.012  -9.069
  252   2HB   SER  32          HB1       SER  32   9.041  -4.656  -7.971
  253    HG   SER  32           HG       SER  32  10.197  -2.768  -9.756
  254    H    THR  33           HN       THR  33   9.288  -4.345  -5.627
  255    HA   THR  33           HA       THR  33   8.090  -1.779  -5.013
  256    HB   THR  33           HB       THR  33   8.319  -4.349  -3.405
  257    HG1  THR  33           HG1      THR  33   6.253  -4.732  -4.348
  258   1HG2  THR  33          HG21      THR  33   7.457  -1.946  -2.461
  259   2HG2  THR  33          HG22      THR  33   6.819  -3.494  -1.908
  260   3HG2  THR  33          HG23      THR  33   5.958  -2.576  -3.143
  261    H    ALA  34           HN       ALA  34  10.723  -3.709  -3.587
  262    HA   ALA  34           HA       ALA  34  11.298  -2.027  -1.353
  263   1HB   ALA  34          HB1       ALA  34  13.105  -3.790  -3.042
  264   2HB   ALA  34          HB2       ALA  34  12.117  -4.339  -1.687
  265   3HB   ALA  34          HB3       ALA  34  13.462  -3.234  -1.407
  266    H    ARG  35           HN       ARG  35  12.446  -1.933  -4.738
  267    HA   ARG  35           HA       ARG  35  14.401   0.154  -4.366
  268   1HB   ARG  35          HB2       ARG  35  14.166  -1.424  -6.326
  269   2HB   ARG  35          HB1       ARG  35  12.740  -0.514  -6.822
  270   1HG   ARG  35          HG2       ARG  35  14.116   1.540  -6.979
  271   2HG   ARG  35          HG1       ARG  35  15.542   0.611  -6.514
  272   1HD   ARG  35          HD2       ARG  35  15.846   0.004  -8.673
  273   2HD   ARG  35          HD1       ARG  35  14.241  -0.754  -8.688
  274    HE   ARG  35           HE       ARG  35  13.287   1.404  -9.367
  275   1HH1  ARG  35          HH21      ARG  35  15.374   3.228  -8.239
  276   2HH1  ARG  35          HH22      ARG  35  16.228   3.735  -9.657
  277   1HH2  ARG  35          HH11      ARG  35  14.970   1.176 -11.647
  278   2HH2  ARG  35          HH12      ARG  35  15.998   2.569 -11.595
  279    H    LEU  36           HN       LEU  36  10.959   0.202  -5.317
  280    HA   LEU  36           HA       LEU  36  10.759   3.069  -5.631
  281   1HB   LEU  36          HB2       LEU  36   9.198   0.812  -6.076
  282   2HB   LEU  36          HB1       LEU  36   8.350   1.617  -4.758
  283    HG   LEU  36           HG       LEU  36   7.502   2.410  -6.918
  284   1HD1  LEU  36          HD11      LEU  36   9.230   4.533  -5.615
  285   2HD1  LEU  36          HD12      LEU  36   7.674   3.992  -4.986
  286   3HD1  LEU  36          HD13      LEU  36   7.759   4.800  -6.551
  287   1HD2  LEU  36          HD21      LEU  36   9.715   1.959  -8.113
  288   2HD2  LEU  36          HD22      LEU  36  10.278   3.495  -7.455
  289   3HD2  LEU  36          HD23      LEU  36   8.900   3.459  -8.555
  290    H    CYS  37           HN       CYS  37  10.293   0.836  -2.917
  291    HA   CYS  37           HA       CYS  37   9.143   2.614  -1.010
  292   1HB   CYS  37          HB2       CYS  37  10.609   0.039  -1.095
  293   2HB   CYS  37          HB1       CYS  37  10.671   0.882   0.444
  294    H    CYS  38           HN       CYS  38  12.505   2.152  -2.047
  295    HA   CYS  38           HA       CYS  38  13.599   3.801   0.130
  296   1HB   CYS  38          HB2       CYS  38  14.863   1.925  -0.746
  297   2HB   CYS  38          HB1       CYS  38  14.719   2.535  -2.391
  298    H    PHE  39           HN       PHE  39  12.885   4.131  -3.331
  299    HA   PHE  39           HA       PHE  39  14.078   6.726  -3.700
  300   1HB   PHE  39          HB2       PHE  39  13.705   5.446  -5.632
  301   2HB   PHE  39          HB1       PHE  39  12.087   4.974  -5.122
  302    HD1  PHE  39           HD1      PHE  39  10.195   6.184  -5.844
  303    HD2  PHE  39           HD2      PHE  39  14.103   7.928  -6.219
  304    HE1  PHE  39           HE1      PHE  39   9.231   8.064  -7.140
  305    HE2  PHE  39           HE2      PHE  39  13.139   9.807  -7.517
  306    HZ   PHE  39           HZ       PHE  39  10.702   9.876  -7.977
  307    H    ARG  40           HN       ARG  40  10.767   5.698  -2.856
  308    HA   ARG  40           HA       ARG  40   9.905   8.539  -2.739
  309   1HB   ARG  40          HB2       ARG  40   8.696   5.884  -3.119
  310   2HB   ARG  40          HB1       ARG  40   7.740   6.964  -2.107
  311   1HG   ARG  40          HG2       ARG  40   8.795   8.392  -4.399
  312   2HG   ARG  40          HG1       ARG  40   7.882   6.975  -4.917
  313   1HD   ARG  40          HD2       ARG  40   6.054   8.328  -4.651
  314   2HD   ARG  40          HD1       ARG  40   6.265   8.000  -2.921
  315    HE   ARG  40           HE       ARG  40   7.612  10.319  -4.266
  316   1HH1  ARG  40          HH11      ARG  40   8.449   9.857  -1.497
  317   2HH1  ARG  40          HH12      ARG  40   7.339  10.810  -0.573
  318   1HH2  ARG  40          HH21      ARG  40   5.047  11.129  -3.171
  319   2HH2  ARG  40          HH22      ARG  40   5.404  11.538  -1.526
  320    H    TYR  41           HN       TYR  41   9.576   5.660  -0.594
  321    HA   TYR  41           HA       TYR  41   8.936   7.350   1.700
  322   1HB   TYR  41          HB2       TYR  41   9.426   4.420   1.216
  323   2HB   TYR  41          HB1       TYR  41   9.141   5.048   2.836
  324    HD1  TYR  41           HD1      TYR  41   6.969   6.004   3.458
  325    HD2  TYR  41           HD2      TYR  41   7.668   4.406  -0.467
  326    HE1  TYR  41           HE1      TYR  41   4.524   5.981   3.032
  327    HE2  TYR  41           HE2      TYR  41   5.226   4.388  -0.894
  328    HH   TYR  41           HH       TYR  41   3.071   4.249   0.799
  329    H    GLY  42           HN       GLY  42  11.771   5.512   0.613
  330   1HA   GLY  42          HA2       GLY  42  14.027   6.210   1.149
  331   2HA   GLY  42          HA1       GLY  42  13.409   7.016   2.586
  332    H    ASP  43           HN       ASP  43  12.034   3.905   2.143
  333    HA   ASP  43           HA       ASP  43  13.783   2.828   4.309
  334   1HB   ASP  43          HB2       ASP  43  11.156   1.674   3.371
  335   2HB   ASP  43          HB1       ASP  43  11.907   1.519   4.946
  336    H    CYS  44           HN       CYS  44  14.474   0.578   4.124
  337    HA   CYS  44           HA       CYS  44  15.403  -1.264   2.967
  338   1HB   CYS  44          HB2       CYS  44  13.446  -0.557   0.767
  339   2HB   CYS  44          HB1       CYS  44  14.084  -2.144   1.167
  340    H    CYS  45           HN       CYS  45  16.634   1.318   2.693
  341    HA   CYS  45           HA       CYS  45  17.360   1.652  -0.150
  342   1HB   CYS  45          HB2       CYS  45  17.934   3.060   2.460
  343   2HB   CYS  45          HB1       CYS  45  18.777   3.505   0.979
  344    H    HIS  46           HN       HIS  46  19.211   1.254   2.893
  345    HA   HIS  46           HA       HIS  46  21.548   0.265   1.394
  346   1HB   HIS  46          HB2       HIS  46  22.538   0.224   3.730
  347   2HB   HIS  46          HB1       HIS  46  21.931   1.795   3.220
  348    HD1  HIS  46           HD1      HIS  46  20.311   2.896   4.773
  349    HD2  HIS  46           HD2      HIS  46  20.530  -1.212   5.449
  350    HE1  HIS  46           HE1      HIS  46  18.864   2.424   6.796
  351    H    LEU  47           HN       LEU  47  19.546  -1.536   0.929
  352    HA   LEU  47           HA       LEU  47  20.035  -3.812   2.809
  353   1HB   LEU  47          HB2       LEU  47  17.703  -2.830   2.324
  354   2HB   LEU  47          HB1       LEU  47  17.866  -3.542   0.719
  355    HG   LEU  47           HG       LEU  47  18.549  -5.394   2.900
  356   1HD1  LEU  47          HD11      LEU  47  16.719  -4.114   3.984
  357   2HD1  LEU  47          HD12      LEU  47  16.229  -5.765   3.608
  358   3HD1  LEU  47          HD13      LEU  47  15.689  -4.432   2.588
  359   1HD2  LEU  47          HD21      LEU  47  17.258  -6.922   1.534
  360   2HD2  LEU  47          HD22      LEU  47  18.248  -5.939   0.454
  361   3HD2  LEU  47          HD23      LEU  47  16.530  -5.585   0.644
  Start of MODEL   12
    1   1H    HIS   1           HT1      HIS   1  24.811   5.872   7.025
    2   2H    HIS   1           HT2      HIS   1  25.778   5.196   8.249
    3   3H    HIS   1           HT3      HIS   1  24.977   4.188   7.140
    4    HA   HIS   1           HA       HIS   1  26.340   5.066   5.323
    5   1HB   HIS   1          HB2       HIS   1  26.912   6.939   7.520
    6   2HB   HIS   1          HB1       HIS   1  28.358   6.423   6.652
    7    HD1  HIS   1           HD1      HIS   1  25.530   8.717   6.414
    8    HD2  HIS   1           HD2      HIS   1  28.088   6.838   3.710
    9    HE1  HIS   1           HE1      HIS   1  25.296   9.963   4.222
   10    H    SER   2           HN       SER   2  27.925   3.579   4.787
   11    HA   SER   2           HA       SER   2  29.795   2.521   6.796
   12   1HB   SER   2          HB2       SER   2  27.297   1.372   6.625
   13   2HB   SER   2          HB1       SER   2  28.232   0.366   5.521
   14    HG   SER   2           HG       SER   2  28.476   0.743   8.276
   15    H    SER   3           HN       SER   3  31.313   0.931   5.771
   16    HA   SER   3           HA       SER   3  32.800   0.335   4.047
   17   1HB   SER   3          HB2       SER   3  30.525  -0.697   3.392
   18   2HB   SER   3          HB1       SER   3  30.394   0.626   2.236
   19    HG   SER   3           HG       SER   3  32.065  -0.165   1.120
   20    H    GLY   4           HN       GLY   4  33.769   2.555   4.350
   21   1HA   GLY   4          HA2       GLY   4  33.044   4.600   2.366
   22   2HA   GLY   4          HA1       GLY   4  34.313   4.742   3.581
   23    H    TYR   5           HN       TYR   5  33.713   2.388   0.947
   24    HA   TYR   5           HA       TYR   5  35.974   3.241  -0.651
   25   1HB   TYR   5          HB2       TYR   5  37.518   1.472  -0.080
   26   2HB   TYR   5          HB1       TYR   5  37.019   2.219   1.435
   27    HD1  TYR   5           HD1      TYR   5  37.126  -0.826  -0.499
   28    HD2  TYR   5           HD2      TYR   5  35.144   1.115   2.781
   29    HE1  TYR   5           HE1      TYR   5  36.308  -3.023   0.307
   30    HE2  TYR   5           HE2      TYR   5  34.326  -1.082   3.586
   31    HH   TYR   5           HH       TYR   5  34.274  -3.810   1.754
   32    H    THR   6           HN       THR   6  36.134   1.975  -2.597
   33    HA   THR   6           HA       THR   6  35.344   0.612  -4.338
   34    HB   THR   6           HB       THR   6  35.307  -0.847  -1.899
   35    HG1  THR   6           HG1      THR   6  36.318  -2.090  -3.223
   36   1HG2  THR   6          HG21      THR   6  33.517  -2.436  -2.181
   37   2HG2  THR   6          HG22      THR   6  33.029  -1.700  -3.707
   38   3HG2  THR   6          HG23      THR   6  32.791  -0.829  -2.192
   39    H    ARG   7           HN       ARG   7  33.286  -0.062  -5.434
   40    HA   ARG   7           HA       ARG   7  31.179   1.922  -4.958
   41   1HB   ARG   7          HB2       ARG   7  32.198   0.297  -7.094
   42   2HB   ARG   7          HB1       ARG   7  30.468   0.003  -6.946
   43   1HG   ARG   7          HG2       ARG   7  31.271   2.843  -6.741
   44   2HG   ARG   7          HG1       ARG   7  31.543   2.105  -8.319
   45   1HD   ARG   7          HD2       ARG   7  29.054   1.167  -7.853
   46   2HD   ARG   7          HD1       ARG   7  28.971   2.677  -6.925
   47    HE   ARG   7           HE       ARG   7  29.707   2.530  -9.824
   48   1HH1  ARG   7          HH21      ARG   7  30.715   4.972  -8.461
   49   2HH1  ARG   7          HH22      ARG   7  29.408   6.089  -8.669
   50   1HH2  ARG   7          HH11      ARG   7  27.090   3.628  -9.480
   51   2HH2  ARG   7          HH12      ARG   7  27.347   5.325  -9.248
   52    HA   PRO   8           HA       PRO   8  28.737  -0.846  -2.506
   53   1HB   PRO   8          HB2       PRO   8  26.418   0.605  -2.515
   54   2HB   PRO   8          HB1       PRO   8  27.832   1.047  -1.537
   55   1HG   PRO   8          HG2       PRO   8  26.874   2.190  -4.104
   56   2HG   PRO   8          HG1       PRO   8  27.642   2.991  -2.725
   57   1HD   PRO   8          HD2       PRO   8  28.934   2.336  -5.062
   58   2HD   PRO   8          HD1       PRO   8  29.744   2.575  -3.500
   59    H    LEU   9           HN       LEU   9  27.036  -2.376  -2.826
   60    HA   LEU   9           HA       LEU   9  26.474  -3.080  -5.601
   61   1HB   LEU   9          HB2       LEU   9  25.898  -4.150  -2.855
   62   2HB   LEU   9          HB1       LEU   9  25.009  -4.808  -4.227
   63    HG   LEU   9           HG       LEU   9  27.518  -4.852  -5.247
   64   1HD1  LEU   9          HD11      LEU   9  28.600  -4.027  -3.237
   65   2HD1  LEU   9          HD12      LEU   9  29.001  -5.735  -3.419
   66   3HD1  LEU   9          HD13      LEU   9  27.779  -5.237  -2.250
   67   1HD2  LEU   9          HD21      LEU   9  26.056  -6.771  -5.255
   68   2HD2  LEU   9          HD22      LEU   9  26.140  -6.910  -3.498
   69   3HD2  LEU   9          HD23      LEU   9  27.560  -7.268  -4.480
   70    H    ARG  10           HN       ARG  10  24.072  -3.721  -6.099
   71    HA   ARG  10           HA       ARG  10  22.464  -1.328  -6.098
   72   1HB   ARG  10          HB2       ARG  10  22.574  -3.308  -7.752
   73   2HB   ARG  10          HB1       ARG  10  21.515  -4.153  -6.623
   74   1HG   ARG  10          HG2       ARG  10  19.738  -2.670  -6.970
   75   2HG   ARG  10          HG1       ARG  10  20.795  -1.385  -7.555
   76   1HD   ARG  10          HD2       ARG  10  20.495  -3.981  -9.086
   77   2HD   ARG  10          HD1       ARG  10  19.388  -2.617  -9.339
   78    HE   ARG  10           HE       ARG  10  22.329  -2.552  -9.844
   79   1HH1  ARG  10          HH21      ARG  10  20.470  -2.139 -12.105
   80   2HH1  ARG  10          HH22      ARG  10  20.369  -0.413 -12.216
   81   1HH2  ARG  10          HH11      ARG  10  21.659   0.125  -9.032
   82   2HH2  ARG  10          HH12      ARG  10  21.045   0.875 -10.468
   83    H    LYS  11           HN       LYS  11  22.079  -0.735  -3.902
   84    HA   LYS  11           HA       LYS  11  19.874  -2.203  -2.600
   85   1HB   LYS  11          HB2       LYS  11  22.615  -2.592  -1.917
   86   2HB   LYS  11          HB1       LYS  11  21.882  -1.674  -0.602
   87   1HG   LYS  11          HG2       LYS  11  20.376  -4.016  -1.705
   88   2HG   LYS  11          HG1       LYS  11  21.752  -4.327  -0.646
   89   1HD   LYS  11          HD2       LYS  11  20.750  -2.793   1.050
   90   2HD   LYS  11          HD1       LYS  11  19.342  -2.602   0.005
   91   1HE   LYS  11          HE2       LYS  11  18.578  -4.351   1.329
   92   2HE   LYS  11          HE1       LYS  11  19.425  -5.299   0.091
   93   1HZ   LYS  11          HZ1       LYS  11  20.209  -5.955   2.261
   94   2HZ   LYS  11          HZ2       LYS  11  20.562  -4.345   2.670
   95   3HZ   LYS  11          HZ3       LYS  11  21.453  -5.131   1.455
   96    HA   PRO  12           HA       PRO  12  19.674   2.362  -2.110
   97   1HB   PRO  12          HB2       PRO  12  17.024   2.592  -2.754
   98   2HB   PRO  12          HB1       PRO  12  18.314   2.560  -3.971
   99   1HG   PRO  12          HG2       PRO  12  16.428   0.426  -3.156
  100   2HG   PRO  12          HG1       PRO  12  17.134   0.770  -4.741
  101   1HD   PRO  12          HD2       PRO  12  17.972  -1.228  -3.019
  102   2HD   PRO  12          HD1       PRO  12  18.935  -0.552  -4.348
  103    H    SER  13           HN       SER  13  17.340   3.416  -0.997
  104    HA   SER  13           HA       SER  13  17.465   2.436   1.746
  105   1HB   SER  13          HB2       SER  13  15.781   4.524   0.328
  106   2HB   SER  13          HB1       SER  13  15.817   4.306   2.074
  107    HG   SER  13           HG       SER  13  18.120   4.663   1.921
  108    H    ARG  14           HN       ARG  14  15.400   1.939   2.965
  109    HA   ARG  14           HA       ARG  14  14.000  -0.283   1.889
  110   1HB   ARG  14          HB2       ARG  14  12.536   0.050   3.870
  111   2HB   ARG  14          HB1       ARG  14  14.239   0.227   4.286
  112   1HG   ARG  14          HG2       ARG  14  13.906   2.343   4.981
  113   2HG   ARG  14          HG1       ARG  14  13.161   2.777   3.444
  114   1HD   ARG  14          HD2       ARG  14  11.081   2.710   4.350
  115   2HD   ARG  14          HD1       ARG  14  11.385   1.118   5.075
  116    HE   ARG  14           HE       ARG  14  12.260   3.705   6.310
  117   1HH1  ARG  14          HH11      ARG  14  13.344   0.764   6.877
  118   2HH1  ARG  14          HH12      ARG  14  12.576   0.486   8.404
  119   1HH2  ARG  14          HH21      ARG  14  10.411   3.189   8.100
  120   2HH2  ARG  14          HH22      ARG  14  10.908   1.865   9.099
  121    HA   PRO  15           HA       PRO  15  10.966   1.573  -0.709
  122   1HB   PRO  15          HB2       PRO  15   9.008  -0.337  -0.585
  123   2HB   PRO  15          HB1       PRO  15  10.511  -0.543  -1.506
  124   1HG   PRO  15          HG2       PRO  15   9.781  -1.595   1.182
  125   2HG   PRO  15          HG1       PRO  15  10.672  -2.379  -0.132
  126   1HD   PRO  15          HD2       PRO  15  11.883  -1.309   2.054
  127   2HD   PRO  15          HD1       PRO  15  12.662  -1.404   0.458
  128    H    ILE  16           HN       ILE  16   8.944   2.677  -0.597
  129    HA   ILE  16           HA       ILE  16   8.063   3.331   2.152
  130    HB   ILE  16           HB       ILE  16   6.877   5.171   0.986
  131   1HG1  ILE  16          HG12      ILE  16   8.105   4.551  -1.634
  132   2HG1  ILE  16          HG11      ILE  16   6.789   3.475  -1.166
  133   1HG2  ILE  16          HG21      ILE  16   9.711   4.814  -0.032
  134   2HG2  ILE  16          HG22      ILE  16   9.290   5.382   1.583
  135   3HG2  ILE  16          HG23      ILE  16   8.853   6.342   0.170
  136   1HD1  ILE  16          HD11      ILE  16   5.850   5.359  -2.381
  137   2HD1  ILE  16          HD12      ILE  16   6.681   6.500  -1.324
  138   3HD1  ILE  16          HD13      ILE  16   5.382   5.493  -0.686
  139    H    PHE  17           HN       PHE  17   5.592   3.672   2.383
  140    HA   PHE  17           HA       PHE  17   4.122   1.419   1.076
  141   1HB   PHE  17          HB2       PHE  17   2.880   1.444   3.375
  142   2HB   PHE  17          HB1       PHE  17   4.470   0.699   3.289
  143    HD1  PHE  17           HD1      PHE  17   2.579   3.684   4.395
  144    HD2  PHE  17           HD2      PHE  17   6.387   1.697   4.380
  145    HE1  PHE  17           HE1      PHE  17   3.403   5.249   6.132
  146    HE2  PHE  17           HE2      PHE  17   7.212   3.263   6.116
  147    HZ   PHE  17           HZ       PHE  17   5.719   5.039   6.993
  148    H    ILE  18           HN       ILE  18   2.059   1.907   0.329
  149    HA   ILE  18           HA       ILE  18   0.960   4.626   0.925
  150    HB   ILE  18           HB       ILE  18   0.415   4.808  -1.487
  151   1HG1  ILE  18          HG12      ILE  18   2.017   2.248  -1.788
  152   2HG1  ILE  18          HG11      ILE  18   0.258   2.325  -1.869
  153   1HG2  ILE  18          HG21      ILE  18   2.606   5.337  -2.232
  154   2HG2  ILE  18          HG22      ILE  18   3.337   4.087  -1.226
  155   3HG2  ILE  18          HG23      ILE  18   2.665   5.537  -0.481
  156   1HD1  ILE  18          HD11      ILE  18   0.797   4.241  -3.652
  157   2HD1  ILE  18          HD12      ILE  18   0.739   2.541  -4.117
  158   3HD1  ILE  18          HD13      ILE  18   2.293   3.321  -3.818
  159    H    ARG  19           HN       ARG  19  -1.387   4.661  -0.156
  160    HA   ARG  19           HA       ARG  19  -3.042   2.848   1.276
  161   1HB   ARG  19          HB2       ARG  19  -3.858   4.988   0.633
  162   2HB   ARG  19          HB1       ARG  19  -3.431   4.733  -1.057
  163   1HG   ARG  19          HG2       ARG  19  -5.822   4.475  -0.854
  164   2HG   ARG  19          HG1       ARG  19  -5.134   2.876  -1.128
  165   1HD   ARG  19          HD2       ARG  19  -6.436   2.329   0.698
  166   2HD   ARG  19          HD1       ARG  19  -5.056   2.978   1.600
  167    HE   ARG  19           HE       ARG  19  -6.422   4.791   2.209
  168   1HH1  ARG  19          HH21      ARG  19  -8.130   2.911  -0.048
  169   2HH1  ARG  19          HH22      ARG  19  -9.226   4.167  -0.509
  170   1HH2  ARG  19          HH11      ARG  19  -7.586   6.636   1.298
  171   2HH2  ARG  19          HH12      ARG  19  -8.917   6.275   0.251
  172    HA   PRO  20           HA       PRO  20  -2.629  -0.654  -1.441
  173   1HB   PRO  20          HB2       PRO  20  -4.446  -2.245  -0.141
  174   2HB   PRO  20          HB1       PRO  20  -2.789  -1.980   0.438
  175   1HG   PRO  20          HG2       PRO  20  -5.332  -0.748   1.357
  176   2HG   PRO  20          HG1       PRO  20  -3.915  -1.244   2.291
  177   1HD   PRO  20          HD2       PRO  20  -4.449   1.346   1.613
  178   2HD   PRO  20          HD1       PRO  20  -2.819   0.724   1.915
  179    H    ILE  21           HN       ILE  21  -4.134  -1.960  -2.811
  180    HA   ILE  21           HA       ILE  21  -6.155  -0.265  -4.051
  181    HB   ILE  21           HB       ILE  21  -4.796  -2.894  -4.534
  182   1HG1  ILE  21          HG12      ILE  21  -3.820  -0.730  -5.252
  183   2HG1  ILE  21          HG11      ILE  21  -4.175  -1.786  -6.613
  184   1HG2  ILE  21          HG21      ILE  21  -7.135  -3.404  -5.078
  185   2HG2  ILE  21          HG22      ILE  21  -6.185  -3.261  -6.556
  186   3HG2  ILE  21          HG23      ILE  21  -7.242  -1.941  -6.058
  187   1HD1  ILE  21          HD11      ILE  21  -5.039   0.271  -7.336
  188   2HD1  ILE  21          HD12      ILE  21  -5.620   0.698  -5.727
  189   3HD1  ILE  21          HD13      ILE  21  -6.466  -0.526  -6.674
  190    H    GLY  22           HN       GLY  22  -8.309  -1.204  -4.613
  191   1HA   GLY  22          HA2       GLY  22 -10.142  -2.747  -4.082
  192   2HA   GLY  22          HA1       GLY  22  -9.423  -2.978  -2.491
  193    H    CYS  23           HN       CYS  23  -9.105  -0.703  -1.345
  194    HA   CYS  23           HA       CYS  23 -11.727   0.358  -0.817
  195   1HB   CYS  23          HB2       CYS  23  -8.889   0.916  -0.067
  196   2HB   CYS  23          HB1       CYS  23 -10.086   2.144   0.321
  197    H    ASP  24           HN       ASP  24  -9.143   1.375  -2.987
  198    HA   ASP  24           HA       ASP  24 -10.402   3.978  -3.542
  199   1HB   ASP  24          HB2       ASP  24  -7.873   2.617  -3.954
  200   2HB   ASP  24          HB1       ASP  24  -8.422   3.358  -5.457
  201    H    VAL  25           HN       VAL  25 -11.567   1.093  -4.251
  202    HA   VAL  25           HA       VAL  25 -12.491   1.875  -6.962
  203    HB   VAL  25           HB       VAL  25 -11.645  -0.930  -6.154
  204   1HG1  VAL  25          HG11      VAL  25 -12.679   0.379  -8.635
  205   2HG1  VAL  25          HG12      VAL  25 -13.011  -1.229  -7.992
  206   3HG1  VAL  25          HG13      VAL  25 -11.488  -0.908  -8.821
  207   1HG2  VAL  25          HG21      VAL  25  -9.601   0.285  -6.145
  208   2HG2  VAL  25          HG22      VAL  25 -10.093   1.282  -7.513
  209   3HG2  VAL  25          HG23      VAL  25  -9.687  -0.416  -7.761
  210    H    CYS  26           HN       CYS  26 -14.120   2.491  -5.056
  211    HA   CYS  26           HA       CYS  26 -15.725   0.713  -3.641
  212   1HB   CYS  26          HB2       CYS  26 -16.361   3.256  -5.155
  213   2HB   CYS  26          HB1       CYS  26 -17.519   2.491  -4.075
  214    H    TYR  27           HN       TYR  27 -15.666   1.192  -7.121
  215    HA   TYR  27           HA       TYR  27 -18.111  -0.492  -7.430
  216   1HB   TYR  27          HB2       TYR  27 -16.581   1.115  -9.494
  217   2HB   TYR  27          HB1       TYR  27 -18.202   0.453  -9.662
  218    HD1  TYR  27           HD1      TYR  27 -16.266   3.288  -8.637
  219    HD2  TYR  27           HD2      TYR  27 -20.007   1.275  -7.993
  220    HE1  TYR  27           HE1      TYR  27 -17.216   5.362  -7.668
  221    HE2  TYR  27           HE2      TYR  27 -20.955   3.351  -7.023
  222    HH   TYR  27           HH       TYR  27 -19.722   5.531  -5.793
  223    H    GLY  28           HN       GLY  28 -17.818  -2.592  -8.016
  224   1HA   GLY  28          HA2       GLY  28 -16.810  -4.190  -9.616
  225   2HA   GLY  28          HA1       GLY  28 -15.280  -3.345  -9.403
  226    H    ILE  29           HN       ILE  29 -15.724  -3.144  -6.431
  227    HA   ILE  29           HA       ILE  29 -14.594  -5.769  -5.766
  228    HB   ILE  29           HB       ILE  29 -14.187  -4.736  -3.585
  229   1HG1  ILE  29          HG12      ILE  29 -15.807  -2.378  -4.604
  230   2HG1  ILE  29          HG11      ILE  29 -16.401  -3.565  -3.442
  231   1HG2  ILE  29          HG21      ILE  29 -13.709  -2.771  -5.843
  232   2HG2  ILE  29          HG22      ILE  29 -12.684  -4.151  -5.452
  233   3HG2  ILE  29          HG23      ILE  29 -12.839  -2.817  -4.310
  234   1HD1  ILE  29          HD11      ILE  29 -15.581  -1.702  -2.165
  235   2HD1  ILE  29          HD12      ILE  29 -14.081  -1.649  -3.091
  236   3HD1  ILE  29          HD13      ILE  29 -14.394  -2.995  -1.995
  237    HA   PRO  30           HA       PRO  30 -18.212  -7.597  -4.135
  238   1HB   PRO  30          HB2       PRO  30 -17.189  -9.046  -2.044
  239   2HB   PRO  30          HB1       PRO  30 -16.990  -9.498  -3.749
  240   1HG   PRO  30          HG2       PRO  30 -15.063  -8.257  -1.887
  241   2HG   PRO  30          HG1       PRO  30 -14.779  -9.348  -3.243
  242   1HD   PRO  30          HD2       PRO  30 -14.362  -6.605  -3.285
  243   2HD   PRO  30          HD1       PRO  30 -14.546  -7.635  -4.716
  244    H    SER  31           HN       SER  31 -19.747  -7.485  -2.421
  245    HA   SER  31           HA       SER  31 -19.937  -5.071  -0.967
  246   1HB   SER  31          HB2       SER  31 -21.726  -6.757  -1.586
  247   2HB   SER  31          HB1       SER  31 -21.163  -7.748  -0.246
  248    HG   SER  31           HG       SER  31 -21.896  -6.294   1.159
  249    H    SER  32           HN       SER  32 -18.759  -8.263   0.131
  250    HA   SER  32           HA       SER  32 -18.423  -7.599   2.890
  251   1HB   SER  32          HB2       SER  32 -18.306  -9.856   1.566
  252   2HB   SER  32          HB1       SER  32 -16.602  -9.456   1.363
  253    HG   SER  32           HG       SER  32 -16.487  -9.265   3.658
  254    H    THR  33           HN       THR  33 -16.107  -7.400   0.159
  255    HA   THR  33           HA       THR  33 -13.933  -6.340   1.748
  256    HB   THR  33           HB       THR  33 -14.604  -6.133  -1.207
  257    HG1  THR  33           HG1      THR  33 -12.896  -7.905   0.215
  258   1HG2  THR  33          HG21      THR  33 -12.913  -4.590  -1.099
  259   2HG2  THR  33          HG22      THR  33 -11.911  -6.041  -1.118
  260   3HG2  THR  33          HG23      THR  33 -12.274  -5.240   0.411
  261    H    ALA  34           HN       ALA  34 -16.517  -4.870  -0.217
  262    HA   ALA  34           HA       ALA  34 -15.722  -2.140   0.047
  263   1HB   ALA  34          HB1       ALA  34 -17.357  -2.594  -1.571
  264   2HB   ALA  34          HB2       ALA  34 -18.333  -1.896  -0.278
  265   3HB   ALA  34          HB3       ALA  34 -18.270  -3.646  -0.490
  266    H    ARG  35           HN       ARG  35 -17.765  -4.214   2.120
  267    HA   ARG  35           HA       ARG  35 -18.621  -2.188   3.962
  268   1HB   ARG  35          HB2       ARG  35 -19.590  -4.456   3.770
  269   2HB   ARG  35          HB1       ARG  35 -18.075  -5.158   4.331
  270   1HG   ARG  35          HG2       ARG  35 -19.478  -5.081   6.255
  271   2HG   ARG  35          HG1       ARG  35 -18.363  -3.728   6.439
  272   1HD   ARG  35          HD2       ARG  35 -20.493  -2.784   6.924
  273   2HD   ARG  35          HD1       ARG  35 -20.215  -2.331   5.232
  274    HE   ARG  35           HE       ARG  35 -21.535  -4.931   5.566
  275   1HH1  ARG  35          HH11      ARG  35 -21.952  -3.280   3.152
  276   2HH1  ARG  35          HH12      ARG  35 -23.517  -2.588   3.421
  277   1HH2  ARG  35          HH21      ARG  35 -23.523  -3.276   6.830
  278   2HH2  ARG  35          HH22      ARG  35 -24.410  -2.582   5.514
  279    H    LEU  36           HN       LEU  36 -15.813  -4.389   3.986
  280    HA   LEU  36           HA       LEU  36 -14.676  -3.532   6.476
  281   1HB   LEU  36          HB2       LEU  36 -14.049  -5.184   4.150
  282   2HB   LEU  36          HB1       LEU  36 -12.619  -4.363   4.763
  283    HG   LEU  36           HG       LEU  36 -13.609  -5.175   7.109
  284   1HD1  LEU  36          HD11      LEU  36 -15.616  -6.180   5.983
  285   2HD1  LEU  36          HD12      LEU  36 -14.686  -7.347   6.923
  286   3HD1  LEU  36          HD13      LEU  36 -14.537  -7.312   5.166
  287   1HD2  LEU  36          HD21      LEU  36 -12.120  -6.981   5.173
  288   2HD2  LEU  36          HD22      LEU  36 -12.137  -7.149   6.928
  289   3HD2  LEU  36          HD23      LEU  36 -11.383  -5.739   6.184
  290    H    CYS  37           HN       CYS  37 -14.286  -2.400   3.130
  291    HA   CYS  37           HA       CYS  37 -12.117  -0.578   3.542
  292   1HB   CYS  37          HB2       CYS  37 -14.211  -1.182   1.541
  293   2HB   CYS  37          HB1       CYS  37 -13.600   0.466   1.494
  294    H    CYS  38           HN       CYS  38 -15.623  -0.241   3.999
  295    HA   CYS  38           HA       CYS  38 -15.496   2.659   4.429
  296   1HB   CYS  38          HB2       CYS  38 -17.464   1.649   3.451
  297   2HB   CYS  38          HB1       CYS  38 -17.604   0.506   4.783
  298    H    PHE  39           HN       PHE  39 -15.742  -0.274   6.407
  299    HA   PHE  39           HA       PHE  39 -16.158   0.994   8.947
  300   1HB   PHE  39          HB2       PHE  39 -16.695  -1.284   8.788
  301   2HB   PHE  39          HB1       PHE  39 -15.209  -1.673   7.927
  302    HD1  PHE  39           HD1      PHE  39 -13.387  -2.569   9.092
  303    HD2  PHE  39           HD2      PHE  39 -16.423  -0.431  11.251
  304    HE1  PHE  39           HE1      PHE  39 -12.301  -3.189  11.232
  305    HE2  PHE  39           HE2      PHE  39 -15.336  -1.052  13.392
  306    HZ   PHE  39           HZ       PHE  39 -13.275  -2.430  13.382
  307    H    ARG  40           HN       ARG  40 -13.181   0.051   7.223
  308    HA   ARG  40           HA       ARG  40 -11.558   1.107   9.488
  309   1HB   ARG  40          HB2       ARG  40 -11.262  -0.874   7.311
  310   2HB   ARG  40          HB1       ARG  40  -9.805   0.044   7.689
  311   1HG   ARG  40          HG2       ARG  40 -10.522  -0.513  10.191
  312   2HG   ARG  40          HG1       ARG  40 -11.339  -1.865   9.407
  313   1HD   ARG  40          HD2       ARG  40  -8.476  -1.273   8.687
  314   2HD   ARG  40          HD1       ARG  40  -8.839  -2.163  10.178
  315    HE   ARG  40           HE       ARG  40 -10.288  -3.138   7.817
  316   1HH1  ARG  40          HH11      ARG  40  -7.252  -3.328   7.406
  317   2HH1  ARG  40          HH12      ARG  40  -6.945  -4.935   7.975
  318   1HH2  ARG  40          HH21      ARG  40 -10.013  -5.224   9.589
  319   2HH2  ARG  40          HH22      ARG  40  -8.517  -6.014   9.219
  320    H    TYR  41           HN       TYR  41 -11.427   1.310   5.891
  321    HA   TYR  41           HA       TYR  41  -9.755   3.691   5.989
  322   1HB   TYR  41          HB2       TYR  41 -11.220   2.173   3.832
  323   2HB   TYR  41          HB1       TYR  41 -10.265   3.610   3.482
  324    HD1  TYR  41           HD1      TYR  41  -7.841   3.583   3.632
  325    HD2  TYR  41           HD2      TYR  41 -10.156   0.116   4.664
  326    HE1  TYR  41           HE1      TYR  41  -5.779   2.201   3.615
  327    HE2  TYR  41           HE2      TYR  41  -8.095  -1.264   4.654
  328    HH   TYR  41           HH       TYR  41  -5.231  -0.293   4.977
  329    H    GLY  42           HN       GLY  42 -13.197   3.080   5.352
  330   1HA   GLY  42          HA2       GLY  42 -14.898   4.706   5.931
  331   2HA   GLY  42          HA1       GLY  42 -13.699   5.981   5.764
  332    H    ASP  43           HN       ASP  43 -13.509   3.705   3.210
  333    HA   ASP  43           HA       ASP  43 -14.925   5.621   1.403
  334   1HB   ASP  43          HB2       ASP  43 -12.986   3.448   0.597
  335   2HB   ASP  43          HB1       ASP  43 -13.409   4.902  -0.288
  336    H    CYS  44           HN       CYS  44 -16.235   4.704  -0.318
  337    HA   CYS  44           HA       CYS  44 -17.869   3.242  -1.188
  338   1HB   CYS  44          HB2       CYS  44 -16.340   1.064   0.248
  339   2HB   CYS  44          HB1       CYS  44 -17.284   0.917  -1.224
  340    H    CYS  45           HN       CYS  45 -18.433   4.559   1.254
  341    HA   CYS  45           HA       CYS  45 -19.586   2.619   3.145
  342   1HB   CYS  45          HB2       CYS  45 -19.373   5.623   2.904
  343   2HB   CYS  45          HB1       CYS  45 -20.348   4.879   4.167
  344    H    HIS  46           HN       HIS  46 -20.902   5.367   1.260
  345    HA   HIS  46           HA       HIS  46 -23.610   4.156   1.397
  346   1HB   HIS  46          HB2       HIS  46 -22.417   6.841   0.735
  347   2HB   HIS  46          HB1       HIS  46 -24.074   6.477   0.257
  348    HD1  HIS  46           HD1      HIS  46 -25.764   5.868   2.224
  349    HD2  HIS  46           HD2      HIS  46 -22.078   7.364   3.470
  350    HE1  HIS  46           HE1      HIS  46 -26.041   6.520   4.656
  351    H    LEU  47           HN       LEU  47 -22.437   2.450  -0.163
  352    HA   LEU  47           HA       LEU  47 -22.291   3.319  -2.982
  353   1HB   LEU  47          HB2       LEU  47 -21.161   1.319  -1.345
  354   2HB   LEU  47          HB1       LEU  47 -22.194   0.455  -2.482
  355    HG   LEU  47           HG       LEU  47 -19.925   0.712  -3.398
  356   1HD1  LEU  47          HD11      LEU  47 -20.568   1.395  -5.547
  357   2HD1  LEU  47          HD12      LEU  47 -21.648   2.646  -4.931
  358   3HD1  LEU  47          HD13      LEU  47 -22.106   0.947  -4.808
  359   1HD2  LEU  47          HD21      LEU  47 -19.466   3.251  -4.094
  360   2HD2  LEU  47          HD22      LEU  47 -18.947   2.619  -2.532
  361   3HD2  LEU  47          HD23      LEU  47 -20.430   3.564  -2.651
  Start of MODEL   13
    1   1H    HIS   1           HT1      HIS   1  -1.955   0.407 -14.937
    2   2H    HIS   1           HT2      HIS   1  -0.682   0.200 -13.831
    3   3H    HIS   1           HT3      HIS   1  -0.449   1.131 -15.233
    4    HA   HIS   1           HA       HIS   1  -0.731   2.560 -13.277
    5   1HB   HIS   1          HB2       HIS   1  -1.465   3.099 -15.648
    6   2HB   HIS   1          HB1       HIS   1  -3.093   2.604 -15.185
    7    HD1  HIS   1           HD1      HIS   1  -4.309   4.071 -13.343
    8    HD2  HIS   1           HD2      HIS   1  -0.687   5.635 -14.702
    9    HE1  HIS   1           HE1      HIS   1  -4.229   6.480 -12.567
   10    H    SER   2           HN       SER   2  -2.177   3.286 -11.582
   11    HA   SER   2           HA       SER   2  -3.661   1.218 -10.237
   12   1HB   SER   2          HB2       SER   2  -2.494   3.279  -9.288
   13   2HB   SER   2          HB1       SER   2  -3.866   4.221  -9.866
   14    HG   SER   2           HG       SER   2  -3.975   3.425  -7.636
   15    H    SER   3           HN       SER   3  -5.985   1.113  -9.902
   16    HA   SER   3           HA       SER   3  -7.562   2.314 -12.146
   17   1HB   SER   3          HB2       SER   3  -7.207  -0.297 -11.335
   18   2HB   SER   3          HB1       SER   3  -8.726   0.127 -10.551
   19    HG   SER   3           HG       SER   3  -8.915  -0.682 -12.744
   20    H    GLY   4           HN       GLY   4  -9.258   3.674 -11.644
   21   1HA   GLY   4          HA2       GLY   4  -9.597   4.581  -8.904
   22   2HA   GLY   4          HA1       GLY   4 -10.523   5.138 -10.298
   23    H    TYR   5           HN       TYR   5 -10.399   2.823  -7.689
   24    HA   TYR   5           HA       TYR   5 -12.587   1.134  -8.513
   25   1HB   TYR   5          HB2       TYR   5 -10.787   0.715  -6.767
   26   2HB   TYR   5          HB1       TYR   5 -11.670   1.811  -5.703
   27    HD1  TYR   5           HD1      TYR   5 -13.561   1.070  -4.489
   28    HD2  TYR   5           HD2      TYR   5 -12.018  -1.319  -7.709
   29    HE1  TYR   5           HE1      TYR   5 -15.098  -0.770  -3.861
   30    HE2  TYR   5           HE2      TYR   5 -13.556  -3.159  -7.079
   31    HH   TYR   5           HH       TYR   5 -14.792  -3.733  -4.542
   32    H    THR   6           HN       THR   6 -14.780   1.177  -7.789
   33    HA   THR   6           HA       THR   6 -15.936   3.847  -7.492
   34    HB   THR   6           HB       THR   6 -17.311   1.158  -7.253
   35    HG1  THR   6           HG1      THR   6 -16.572   2.561  -9.609
   36   1HG2  THR   6          HG21      THR   6 -19.138   2.439  -8.410
   37   2HG2  THR   6          HG22      THR   6 -18.152   3.893  -8.247
   38   3HG2  THR   6          HG23      THR   6 -18.738   3.059  -6.808
   39    H    ARG   7           HN       ARG   7 -16.405   4.810  -5.568
   40    HA   ARG   7           HA       ARG   7 -15.681   3.782  -3.030
   41   1HB   ARG   7          HB2       ARG   7 -17.061   5.696  -2.193
   42   2HB   ARG   7          HB1       ARG   7 -15.989   6.156  -3.514
   43   1HG   ARG   7          HG2       ARG   7 -18.420   5.266  -4.696
   44   2HG   ARG   7          HG1       ARG   7 -18.856   6.358  -3.382
   45   1HD   ARG   7          HD2       ARG   7 -16.605   7.210  -5.157
   46   2HD   ARG   7          HD1       ARG   7 -18.249   7.295  -5.819
   47    HE   ARG   7           HE       ARG   7 -17.675   8.470  -3.132
   48   1HH1  ARG   7          HH21      ARG   7 -16.944  10.104  -5.623
   49   2HH1  ARG   7          HH22      ARG   7 -18.363  11.080  -5.803
   50   1HH2  ARG   7          HH11      ARG   7 -20.299   9.116  -3.685
   51   2HH2  ARG   7          HH12      ARG   7 -20.270  10.518  -4.701
   52    HA   PRO   8           HA       PRO   8 -19.136   0.935  -2.623
   53   1HB   PRO   8          HB2       PRO   8 -18.208  -0.288  -0.359
   54   2HB   PRO   8          HB1       PRO   8 -17.600  -0.671  -1.982
   55   1HG   PRO   8          HG2       PRO   8 -16.391   1.018   0.142
   56   2HG   PRO   8          HG1       PRO   8 -15.614  -0.072  -1.015
   57   1HD   PRO   8          HD2       PRO   8 -15.678   2.656  -1.274
   58   2HD   PRO   8          HD1       PRO   8 -15.496   1.528  -2.635
   59    H    LEU   9           HN       LEU   9 -20.965   0.899  -1.235
   60    HA   LEU   9           HA       LEU   9 -21.323   3.245   0.480
   61   1HB   LEU   9          HB2       LEU   9 -22.906   1.225  -0.902
   62   2HB   LEU   9          HB1       LEU   9 -23.513   1.499   0.729
   63    HG   LEU   9           HG       LEU   9 -24.553   3.017  -0.960
   64   1HD1  LEU   9          HD11      LEU   9 -22.783   4.534   0.974
   65   2HD1  LEU   9          HD12      LEU   9 -24.223   3.645   1.471
   66   3HD1  LEU   9          HD13      LEU   9 -24.369   5.014   0.369
   67   1HD2  LEU   9          HD21      LEU   9 -21.841   4.348  -1.123
   68   2HD2  LEU   9          HD22      LEU   9 -23.271   4.673  -2.102
   69   3HD2  LEU   9          HD23      LEU   9 -22.379   3.167  -2.317
   70    H    ARG  10           HN       ARG  10 -22.318   2.921   2.710
   71    HA   ARG  10           HA       ARG  10 -22.243   2.072   4.910
   72   1HB   ARG  10          HB2       ARG  10 -22.899   0.009   3.383
   73   2HB   ARG  10          HB1       ARG  10 -21.283  -0.547   3.810
   74   1HG   ARG  10          HG2       ARG  10 -21.799  -0.452   6.172
   75   2HG   ARG  10          HG1       ARG  10 -23.351   0.323   5.846
   76   1HD   ARG  10          HD2       ARG  10 -23.386  -2.020   4.286
   77   2HD   ARG  10          HD1       ARG  10 -22.704  -2.512   5.849
   78    HE   ARG  10           HE       ARG  10 -24.732  -1.083   6.780
   79   1HH1  ARG  10          HH11      ARG  10 -25.009  -4.071   5.936
   80   2HH1  ARG  10          HH12      ARG  10 -26.530  -4.011   5.111
   81   1HH2  ARG  10          HH21      ARG  10 -26.555  -0.545   4.857
   82   2HH2  ARG  10          HH22      ARG  10 -27.409  -2.008   4.499
   83    H    LYS  11           HN       LYS  11 -20.655   1.432   6.560
   84    HA   LYS  11           HA       LYS  11 -18.080   2.552   6.211
   85   1HB   LYS  11          HB2       LYS  11 -17.617   1.463   8.391
   86   2HB   LYS  11          HB1       LYS  11 -19.213   2.208   8.372
   87   1HG   LYS  11          HG2       LYS  11 -20.319   0.169   8.341
   88   2HG   LYS  11          HG1       LYS  11 -18.981  -0.666   7.554
   89   1HD   LYS  11          HD2       LYS  11 -17.916   0.216   9.989
   90   2HD   LYS  11          HD1       LYS  11 -19.535  -0.351  10.395
   91   1HE   LYS  11          HE2       LYS  11 -18.519  -2.409  10.468
   92   2HE   LYS  11          HE1       LYS  11 -18.687  -2.344   8.703
   93   1HZ   LYS  11          HZ1       LYS  11 -16.367  -2.738   9.493
   94   2HZ   LYS  11          HZ2       LYS  11 -16.381  -1.184  10.179
   95   3HZ   LYS  11          HZ3       LYS  11 -16.535  -1.376   8.495
   96    HA   PRO  12           HA       PRO  12 -15.853  -0.630   4.130
   97   1HB   PRO  12          HB2       PRO  12 -13.309   0.077   4.857
   98   2HB   PRO  12          HB1       PRO  12 -14.268   0.993   3.680
   99   1HG   PRO  12          HG2       PRO  12 -13.719   1.577   6.539
  100   2HG   PRO  12          HG1       PRO  12 -13.869   2.684   5.167
  101   1HD   PRO  12          HD2       PRO  12 -15.839   2.248   7.030
  102   2HD   PRO  12          HD1       PRO  12 -16.132   2.838   5.381
  103    H    SER  13           HN       SER  13 -13.447  -1.815   5.044
  104    HA   SER  13           HA       SER  13 -14.405  -3.823   6.864
  105   1HB   SER  13          HB2       SER  13 -11.712  -3.027   5.748
  106   2HB   SER  13          HB1       SER  13 -11.895  -4.411   6.822
  107    HG   SER  13           HG       SER  13 -12.102  -5.095   4.697
  108    H    ARG  14           HN       ARG  14 -13.277  -4.345   8.968
  109    HA   ARG  14           HA       ARG  14 -13.472  -2.236  10.867
  110   1HB   ARG  14          HB2       ARG  14 -12.415  -3.912  12.379
  111   2HB   ARG  14          HB1       ARG  14 -13.683  -4.629  11.388
  112   1HG   ARG  14          HG2       ARG  14 -12.203  -6.121  10.583
  113   2HG   ARG  14          HG1       ARG  14 -11.243  -4.802   9.915
  114   1HD   ARG  14          HD2       ARG  14  -9.623  -5.437  11.381
  115   2HD   ARG  14          HD1       ARG  14 -10.648  -4.738  12.649
  116    HE   ARG  14           HE       ARG  14 -10.556  -7.618  11.900
  117   1HH1  ARG  14          HH11      ARG  14 -10.302  -5.891  14.600
  118   2HH1  ARG  14          HH12      ARG  14 -11.670  -6.537  15.441
  119   1HH2  ARG  14          HH21      ARG  14 -12.995  -8.097  12.631
  120   2HH2  ARG  14          HH22      ARG  14 -13.200  -7.791  14.323
  121    HA   PRO  15           HA       PRO  15  -9.599  -0.173  10.550
  122   1HB   PRO  15          HB2       PRO  15  -9.245   0.647  13.137
  123   2HB   PRO  15          HB1       PRO  15 -10.421   1.388  12.034
  124   1HG   PRO  15          HG2       PRO  15 -10.853  -0.611  14.196
  125   2HG   PRO  15          HG1       PRO  15 -11.855   0.768  13.719
  126   1HD   PRO  15          HD2       PRO  15 -12.419  -1.805  13.028
  127   2HD   PRO  15          HD1       PRO  15 -12.902  -0.401  12.051
  128    H    ILE  16           HN       ILE  16  -7.363  -0.460  11.014
  129    HA   ILE  16           HA       ILE  16  -6.625  -2.738  12.802
  130    HB   ILE  16           HB       ILE  16  -5.105  -3.508  10.949
  131   1HG1  ILE  16          HG12      ILE  16  -6.720  -1.747   9.109
  132   2HG1  ILE  16          HG11      ILE  16  -5.240  -1.138   9.851
  133   1HG2  ILE  16          HG21      ILE  16  -7.420  -4.439  11.342
  134   2HG2  ILE  16          HG22      ILE  16  -6.839  -4.608   9.686
  135   3HG2  ILE  16          HG23      ILE  16  -8.005  -3.347  10.087
  136   1HD1  ILE  16          HD11      ILE  16  -3.998  -2.248   8.341
  137   2HD1  ILE  16          HD12      ILE  16  -5.477  -2.800   7.555
  138   3HD1  ILE  16          HD13      ILE  16  -4.739  -3.774   8.827
  139    H    PHE  17           HN       PHE  17  -4.058  -2.807  12.831
  140    HA   PHE  17           HA       PHE  17  -3.112  -0.357  13.988
  141   1HB   PHE  17          HB2       PHE  17  -1.845  -2.930  13.028
  142   2HB   PHE  17          HB1       PHE  17  -0.885  -1.649  13.763
  143    HD1  PHE  17           HD1      PHE  17  -3.207  -4.371  14.353
  144    HD2  PHE  17           HD2      PHE  17  -1.443  -0.866  16.105
  145    HE1  PHE  17           HE1      PHE  17  -3.885  -5.154  16.606
  146    HE2  PHE  17           HE2      PHE  17  -2.122  -1.651  18.357
  147    HZ   PHE  17           HZ       PHE  17  -3.343  -3.794  18.607
  148    H    ILE  18           HN       ILE  18  -0.970   0.653  13.131
  149    HA   ILE  18           HA       ILE  18  -1.456   1.856  10.560
  150    HB   ILE  18           HB       ILE  18   0.691   2.952  10.967
  151   1HG1  ILE  18          HG12      ILE  18   1.066   0.906  13.179
  152   2HG1  ILE  18          HG11      ILE  18   1.938   0.912  11.648
  153   1HG2  ILE  18          HG21      ILE  18  -0.002   4.140  12.800
  154   2HG2  ILE  18          HG22      ILE  18  -0.300   2.692  13.761
  155   3HG2  ILE  18          HG23      ILE  18  -1.475   3.203  12.549
  156   1HD1  ILE  18          HD11      ILE  18   2.587   3.353  12.292
  157   2HD1  ILE  18          HD12      ILE  18   3.422   2.022  13.094
  158   3HD1  ILE  18          HD13      ILE  18   2.121   2.875  13.925
  159    H    ARG  19           HN       ARG  19   0.279   1.820   8.803
  160    HA   ARG  19           HA       ARG  19   0.729  -0.942   7.967
  161   1HB   ARG  19          HB2       ARG  19   0.906   0.006   5.868
  162   2HB   ARG  19          HB1       ARG  19   0.043   1.307   6.678
  163   1HG   ARG  19          HG2       ARG  19   3.064   1.231   6.566
  164   2HG   ARG  19          HG1       ARG  19   2.101   1.959   5.286
  165   1HD   ARG  19          HD2       ARG  19   0.945   3.182   7.386
  166   2HD   ARG  19          HD1       ARG  19   2.565   2.923   8.066
  167    HE   ARG  19           HE       ARG  19   3.489   4.077   6.056
  168   1HH1  ARG  19          HH11      ARG  19   0.570   3.724   4.816
  169   2HH1  ARG  19          HH12      ARG  19   0.134   5.395   4.691
  170   1HH2  ARG  19          HH21      ARG  19   2.755   6.500   6.691
  171   2HH2  ARG  19          HH22      ARG  19   1.377   6.974   5.754
  172    HA   PRO  20           HA       PRO  20   4.874  -1.325   9.350
  173   1HB   PRO  20          HB2       PRO  20   5.877  -3.000   7.422
  174   2HB   PRO  20          HB1       PRO  20   4.779  -3.535   8.710
  175   1HG   PRO  20          HG2       PRO  20   4.180  -2.884   5.868
  176   2HG   PRO  20          HG1       PRO  20   3.534  -4.174   6.891
  177   1HD   PRO  20          HD2       PRO  20   2.168  -1.889   6.347
  178   2HD   PRO  20          HD1       PRO  20   1.966  -2.811   7.850
  179    H    ILE  21           HN       ILE  21   7.165  -0.991   8.607
  180    HA   ILE  21           HA       ILE  21   7.378   1.430   6.987
  181    HB   ILE  21           HB       ILE  21   9.436  -0.314   8.385
  182   1HG1  ILE  21          HG12      ILE  21   8.842   2.210   9.656
  183   2HG1  ILE  21          HG11      ILE  21   7.355   1.293   9.434
  184   1HG2  ILE  21          HG21      ILE  21  10.729   1.879   8.414
  185   2HG2  ILE  21          HG22      ILE  21   9.558   2.490   7.246
  186   3HG2  ILE  21          HG23      ILE  21  10.581   1.114   6.832
  187   1HD1  ILE  21          HD11      ILE  21   8.190   0.544  11.519
  188   2HD1  ILE  21          HD12      ILE  21   9.850   0.481  10.926
  189   3HD1  ILE  21          HD13      ILE  21   8.674  -0.716  10.383
  190    H    GLY  22           HN       GLY  22   9.098   1.580   5.287
  191   1HA   GLY  22          HA2       GLY  22  10.509   0.487   3.608
  192   2HA   GLY  22          HA1       GLY  22   9.498  -0.947   3.760
  193    H    CYS  23           HN       CYS  23   7.041  -0.310   3.362
  194    HA   CYS  23           HA       CYS  23   6.785   0.431   0.599
  195   1HB   CYS  23          HB2       CYS  23   4.998  -0.140   2.927
  196   2HB   CYS  23          HB1       CYS  23   4.271   0.535   1.478
  197    H    ASP  24           HN       ASP  24   6.521   2.292   3.582
  198    HA   ASP  24           HA       ASP  24   5.335   4.627   2.250
  199   1HB   ASP  24          HB2       ASP  24   5.260   3.661   4.748
  200   2HB   ASP  24          HB1       ASP  24   6.641   4.738   4.935
  201    H    VAL  25           HN       VAL  25   8.280   3.386   1.821
  202    HA   VAL  25           HA       VAL  25   9.599   6.041   1.608
  203    HB   VAL  25           HB       VAL  25  10.930   3.492   2.596
  204   1HG1  VAL  25          HG11      VAL  25  11.754   6.374   2.300
  205   2HG1  VAL  25          HG12      VAL  25  12.607   4.919   1.783
  206   3HG1  VAL  25          HG13      VAL  25  12.540   5.342   3.494
  207   1HG2  VAL  25          HG21      VAL  25   9.635   5.760   4.122
  208   2HG2  VAL  25          HG22      VAL  25  10.909   4.773   4.839
  209   3HG2  VAL  25          HG23      VAL  25   9.393   4.026   4.333
  210    H    CYS  26           HN       CYS  26   8.516   5.258  -0.585
  211    HA   CYS  26           HA       CYS  26   9.454   3.228  -2.242
  212   1HB   CYS  26          HB2       CYS  26   8.633   6.092  -2.741
  213   2HB   CYS  26          HB1       CYS  26   8.968   4.989  -4.071
  214    H    TYR  27           HN       TYR  27  11.219   6.086  -1.227
  215    HA   TYR  27           HA       TYR  27  13.339   5.533  -3.255
  216   1HB   TYR  27          HB2       TYR  27  13.071   7.898  -1.386
  217   2HB   TYR  27          HB1       TYR  27  14.021   7.803  -2.864
  218    HD1  TYR  27           HD1      TYR  27  10.936   8.847  -1.468
  219    HD2  TYR  27           HD2      TYR  27  12.658   7.237  -5.060
  220    HE1  TYR  27           HE1      TYR  27   8.991   9.667  -2.768
  221    HE2  TYR  27           HE2      TYR  27  10.712   8.057  -6.360
  222    HH   TYR  27           HH       TYR  27   8.182   8.608  -5.725
  223    H    GLY  28           HN       GLY  28  15.158   4.505  -2.563
  224   1HA   GLY  28          HA2       GLY  28  17.047   4.474  -0.967
  225   2HA   GLY  28          HA1       GLY  28  15.878   4.685   0.331
  226    H    ILE  29           HN       ILE  29  14.048   2.648  -1.063
  227    HA   ILE  29           HA       ILE  29  15.257   0.305   0.238
  228    HB   ILE  29           HB       ILE  29  13.063  -0.698  -0.113
  229   1HG1  ILE  29          HG12      ILE  29  12.417   1.759  -1.776
  230   2HG1  ILE  29          HG11      ILE  29  12.728   0.152  -2.434
  231   1HG2  ILE  29          HG21      ILE  29  11.690   0.908   1.094
  232   2HG2  ILE  29          HG22      ILE  29  12.755   2.227   0.609
  233   3HG2  ILE  29          HG23      ILE  29  13.343   0.978   1.705
  234   1HD1  ILE  29          HD11      ILE  29  10.351   1.164  -0.947
  235   2HD1  ILE  29          HD12      ILE  29  10.838  -0.503  -0.641
  236   3HD1  ILE  29          HD13      ILE  29  10.438   0.012  -2.280
  237    HA   PRO  30           HA       PRO  30  16.690  -1.687  -3.381
  238   1HB   PRO  30          HB2       PRO  30  16.268  -4.314  -2.718
  239   2HB   PRO  30          HB1       PRO  30  17.565  -3.320  -2.022
  240   1HG   PRO  30          HG2       PRO  30  14.982  -4.150  -0.851
  241   2HG   PRO  30          HG1       PRO  30  16.534  -3.851  -0.065
  242   1HD   PRO  30          HD2       PRO  30  14.380  -2.106  -0.057
  243   2HD   PRO  30          HD1       PRO  30  16.061  -1.655   0.278
  244    H    SER  31           HN       SER  31  16.008  -2.907  -5.270
  245    HA   SER  31           HA       SER  31  13.355  -2.422  -6.164
  246   1HB   SER  31          HB2       SER  31  15.574  -2.945  -7.412
  247   2HB   SER  31          HB1       SER  31  15.129  -4.635  -7.195
  248    HG   SER  31           HG       SER  31  13.339  -4.324  -8.414
  249    H    SER  32           HN       SER  32  14.805  -5.395  -4.793
  250    HA   SER  32           HA       SER  32  12.593  -7.144  -5.215
  251   1HB   SER  32          HB2       SER  32  15.005  -7.594  -4.398
  252   2HB   SER  32          HB1       SER  32  14.418  -7.150  -2.798
  253    HG   SER  32           HG       SER  32  14.296  -9.427  -3.272
  254    H    THR  33           HN       THR  33  13.360  -5.002  -2.461
  255    HA   THR  33           HA       THR  33  10.994  -5.667  -0.929
  256    HB   THR  33           HB       THR  33  12.810  -3.233  -0.973
  257    HG1  THR  33           HG1      THR  33  13.781  -4.336   0.782
  258   1HG2  THR  33          HG21      THR  33  11.029  -2.443   0.277
  259   2HG2  THR  33          HG22      THR  33  11.935  -3.275   1.541
  260   3HG2  THR  33          HG23      THR  33  10.541  -4.056   0.795
  261    H    ALA  34           HN       ALA  34  11.812  -3.105  -3.266
  262    HA   ALA  34           HA       ALA  34   9.367  -1.630  -3.088
  263   1HB   ALA  34          HB1       ALA  34  11.636  -1.956  -5.008
  264   2HB   ALA  34          HB2       ALA  34  11.051  -0.497  -4.208
  265   3HB   ALA  34          HB3       ALA  34  10.184  -1.147  -5.599
  266    H    ARG  35           HN       ARG  35  10.330  -4.432  -5.074
  267    HA   ARG  35           HA       ARG  35   8.019  -4.563  -6.757
  268   1HB   ARG  35          HB2       ARG  35  10.075  -5.818  -7.167
  269   2HB   ARG  35          HB1       ARG  35   9.896  -6.677  -5.641
  270   1HG   ARG  35          HG2       ARG  35   9.161  -8.098  -7.503
  271   2HG   ARG  35          HG1       ARG  35   7.792  -7.693  -6.470
  272   1HD   ARG  35          HD2       ARG  35   8.103  -5.667  -8.522
  273   2HD   ARG  35          HD1       ARG  35   7.972  -7.277  -9.257
  274    HE   ARG  35           HE       ARG  35   5.944  -6.032  -7.467
  275   1HH1  ARG  35          HH21      ARG  35   6.057  -8.911  -6.849
  276   2HH1  ARG  35          HH22      ARG  35   4.972  -9.604  -8.006
  277   1HH2  ARG  35          HH11      ARG  35   4.972  -6.807 -10.071
  278   2HH2  ARG  35          HH12      ARG  35   4.362  -8.412  -9.844
  279    H    LEU  36           HN       LEU  36   8.736  -6.076  -3.602
  280    HA   LEU  36           HA       LEU  36   6.210  -7.439  -3.310
  281   1HB   LEU  36          HB2       LEU  36   8.650  -7.311  -2.012
  282   2HB   LEU  36          HB1       LEU  36   7.577  -6.513  -0.864
  283    HG   LEU  36           HG       LEU  36   7.640  -8.908  -0.391
  284   1HD1  LEU  36          HD11      LEU  36   5.462  -7.578  -0.241
  285   2HD1  LEU  36          HD12      LEU  36   5.292  -9.331  -0.338
  286   3HD1  LEU  36          HD13      LEU  36   5.007  -8.337  -1.766
  287   1HD2  LEU  36          HD21      LEU  36   7.006 -10.570  -2.025
  288   2HD2  LEU  36          HD22      LEU  36   8.249  -9.557  -2.758
  289   3HD2  LEU  36          HD23      LEU  36   6.555  -9.327  -3.192
  290    H    CYS  37           HN       CYS  37   7.353  -4.197  -2.398
  291    HA   CYS  37           HA       CYS  37   5.056  -3.427  -0.832
  292   1HB   CYS  37          HB2       CYS  37   7.465  -2.224  -2.059
  293   2HB   CYS  37          HB1       CYS  37   6.111  -1.116  -1.863
  294    H    CYS  38           HN       CYS  38   5.870  -3.162  -4.287
  295    HA   CYS  38           HA       CYS  38   3.462  -1.628  -4.948
  296   1HB   CYS  38          HB2       CYS  38   5.523  -1.355  -6.206
  297   2HB   CYS  38          HB1       CYS  38   5.595  -3.080  -6.547
  298    H    PHE  39           HN       PHE  39   4.503  -5.005  -5.045
  299    HA   PHE  39           HA       PHE  39   2.291  -6.027  -6.584
  300   1HB   PHE  39          HB2       PHE  39   4.273  -7.303  -6.499
  301   2HB   PHE  39          HB1       PHE  39   4.407  -7.144  -4.751
  302    HD1  PHE  39           HD1      PHE  39   3.571  -8.822  -3.341
  303    HD2  PHE  39           HD2      PHE  39   2.216  -8.609  -7.412
  304    HE1  PHE  39           HE1      PHE  39   2.347 -10.959  -3.047
  305    HE2  PHE  39           HE2      PHE  39   0.993 -10.745  -7.117
  306    HZ   PHE  39           HZ       PHE  39   1.058 -11.920  -4.934
  307    H    ARG  40           HN       ARG  40   2.878  -5.802  -3.060
  308    HA   ARG  40           HA       ARG  40   0.185  -6.950  -2.545
  309   1HB   ARG  40          HB2       ARG  40   2.776  -6.795  -1.222
  310   2HB   ARG  40          HB1       ARG  40   1.465  -6.357  -0.133
  311   1HG   ARG  40          HG2       ARG  40   0.587  -8.616  -1.626
  312   2HG   ARG  40          HG1       ARG  40   2.216  -8.971  -1.048
  313   1HD   ARG  40          HD2       ARG  40   1.568  -8.473   1.252
  314   2HD   ARG  40          HD1       ARG  40  -0.042  -7.952   0.716
  315    HE   ARG  40           HE       ARG  40   0.292 -10.535  -0.332
  316   1HH1  ARG  40          HH11      ARG  40  -1.888  -9.803   1.599
  317   2HH1  ARG  40          HH12      ARG  40  -1.538 -10.832   2.947
  318   1HH2  ARG  40          HH21      ARG  40   1.704 -11.534   1.906
  319   2HH2  ARG  40          HH22      ARG  40   0.502 -11.816   3.121
  320    H    TYR  41           HN       TYR  41   2.065  -4.075  -1.457
  321    HA   TYR  41           HA       TYR  41  -0.352  -2.834  -0.377
  322   1HB   TYR  41          HB2       TYR  41   2.509  -1.919  -0.734
  323   2HB   TYR  41          HB1       TYR  41   1.277  -0.981   0.101
  324    HD1  TYR  41           HD1      TYR  41   0.533  -1.558   2.307
  325    HD2  TYR  41           HD2      TYR  41   3.236  -4.129   0.174
  326    HE1  TYR  41           HE1      TYR  41   0.959  -2.836   4.388
  327    HE2  TYR  41           HE2      TYR  41   3.658  -5.409   2.254
  328    HH   TYR  41           HH       TYR  41   2.129  -5.767   4.533
  329    H    GLY  42           HN       GLY  42   1.712  -2.372  -3.225
  330   1HA   GLY  42          HA2       GLY  42   0.850  -1.523  -5.314
  331   2HA   GLY  42          HA1       GLY  42  -0.453  -0.737  -4.431
  332    H    ASP  43           HN       ASP  43   2.630  -0.326  -2.957
  333    HA   ASP  43           HA       ASP  43   2.726   2.482  -3.979
  334   1HB   ASP  43          HB2       ASP  43   4.272   1.516  -1.598
  335   2HB   ASP  43          HB1       ASP  43   3.541   3.086  -1.878
  336    H    CYS  44           HN       CYS  44   4.831   3.370  -4.484
  337    HA   CYS  44           HA       CYS  44   6.987   3.326  -5.442
  338   1HB   CYS  44          HB2       CYS  44   7.251   0.610  -4.136
  339   2HB   CYS  44          HB1       CYS  44   8.530   1.762  -4.481
  340    H    CYS  45           HN       CYS  45   4.784   2.411  -6.999
  341    HA   CYS  45           HA       CYS  45   5.638  -0.046  -8.397
  342   1HB   CYS  45          HB2       CYS  45   3.328   1.901  -8.583
  343   2HB   CYS  45          HB1       CYS  45   3.533   0.590  -9.741
  344    H    HIS  46           HN       HIS  46   4.787   3.269  -9.462
  345    HA   HIS  46           HA       HIS  46   6.543   2.969 -11.830
  346   1HB   HIS  46          HB2       HIS  46   4.133   3.881 -11.775
  347   2HB   HIS  46          HB1       HIS  46   4.815   5.323 -11.025
  348    HD1  HIS  46           HD1      HIS  46   4.195   6.728 -13.164
  349    HD2  HIS  46           HD2      HIS  46   6.922   3.651 -13.865
  350    HE1  HIS  46           HE1      HIS  46   5.194   7.161 -15.450
  351    H    LEU  47           HN       LEU  47   8.510   2.984 -10.342
  352    HA   LEU  47           HA       LEU  47   9.177   5.560  -9.059
  353   1HB   LEU  47          HB2       LEU  47   9.841   2.821  -8.769
  354   2HB   LEU  47          HB1       LEU  47  11.334   3.637  -9.232
  355    HG   LEU  47           HG       LEU  47  10.369   5.403  -7.405
  356   1HD1  LEU  47          HD11      LEU  47   9.634   3.948  -5.454
  357   2HD1  LEU  47          HD12      LEU  47   9.412   2.640  -6.616
  358   3HD1  LEU  47          HD13      LEU  47   8.452   4.114  -6.751
  359   1HD2  LEU  47          HD21      LEU  47  11.991   4.412  -5.848
  360   2HD2  LEU  47          HD22      LEU  47  12.637   4.382  -7.489
  361   3HD2  LEU  47          HD23      LEU  47  11.983   2.909  -6.772
  Start of MODEL   14
    1   1H    HIS   1           HT1      HIS   1 -43.395   5.019   1.911
    2   2H    HIS   1           HT2      HIS   1 -41.985   5.962   1.800
    3   3H    HIS   1           HT3      HIS   1 -43.094   6.233   3.056
    4    HA   HIS   1           HA       HIS   1 -42.588   4.134   4.073
    5   1HB   HIS   1          HB2       HIS   1 -41.122   2.560   2.951
    6   2HB   HIS   1          HB1       HIS   1 -42.353   3.058   1.794
    7    HD1  HIS   1           HD1      HIS   1 -38.698   3.558   2.628
    8    HD2  HIS   1           HD2      HIS   1 -41.375   4.504  -0.428
    9    HE1  HIS   1           HE1      HIS   1 -37.310   4.458   0.712
   10    H    SER   2           HN       SER   2 -40.552   3.731   5.320
   11    HA   SER   2           HA       SER   2 -39.084   6.220   5.790
   12   1HB   SER   2          HB2       SER   2 -39.884   4.479   7.492
   13   2HB   SER   2          HB1       SER   2 -38.568   3.456   6.923
   14    HG   SER   2           HG       SER   2 -38.256   5.035   8.792
   15    H    SER   3           HN       SER   3 -36.954   6.654   5.173
   16    HA   SER   3           HA       SER   3 -35.588   4.577   3.491
   17   1HB   SER   3          HB2       SER   3 -36.508   7.103   2.828
   18   2HB   SER   3          HB1       SER   3 -34.804   7.393   3.165
   19    HG   SER   3           HG       SER   3 -35.180   6.775   0.985
   20    H    GLY   4           HN       GLY   4 -33.692   3.842   4.367
   21   1HA   GLY   4          HA2       GLY   4 -31.611   5.428   5.404
   22   2HA   GLY   4          HA1       GLY   4 -32.579   4.921   6.788
   23    H    TYR   5           HN       TYR   5 -32.390   2.824   7.526
   24    HA   TYR   5           HA       TYR   5 -31.554   0.637   7.754
   25   1HB   TYR   5          HB2       TYR   5 -32.553   0.820   5.258
   26   2HB   TYR   5          HB1       TYR   5 -30.863   0.514   4.854
   27    HD1  TYR   5           HD1      TYR   5 -33.958  -0.960   5.878
   28    HD2  TYR   5           HD2      TYR   5 -29.695  -1.466   6.068
   29    HE1  TYR   5           HE1      TYR   5 -34.266  -3.362   6.411
   30    HE2  TYR   5           HE2      TYR   5 -30.004  -3.868   6.600
   31    HH   TYR   5           HH       TYR   5 -32.358  -5.196   7.792
   32    H    THR   6           HN       THR   6 -29.662   0.934   8.919
   33    HA   THR   6           HA       THR   6 -27.237   2.103   7.870
   34    HB   THR   6           HB       THR   6 -27.670   0.212  10.210
   35    HG1  THR   6           HG1      THR   6 -27.850   3.039  10.025
   36   1HG2  THR   6          HG21      THR   6 -25.734   1.682  11.111
   37   2HG2  THR   6          HG22      THR   6 -25.474   2.118   9.422
   38   3HG2  THR   6          HG23      THR   6 -25.344   0.434   9.929
   39    H    ARG   7           HN       ARG   7 -26.385   1.073   6.055
   40    HA   ARG   7           HA       ARG   7 -26.312  -1.836   5.787
   41   1HB   ARG   7          HB2       ARG   7 -26.435   0.168   4.044
   42   2HB   ARG   7          HB1       ARG   7 -24.677   0.061   4.136
   43   1HG   ARG   7          HG2       ARG   7 -24.637  -2.130   3.296
   44   2HG   ARG   7          HG1       ARG   7 -26.325  -2.423   3.713
   45   1HD   ARG   7          HD2       ARG   7 -25.733  -0.234   1.749
   46   2HD   ARG   7          HD1       ARG   7 -25.638  -1.916   1.191
   47    HE   ARG   7           HE       ARG   7 -28.053  -0.956   2.674
   48   1HH1  ARG   7          HH11      ARG   7 -27.613  -3.781   1.523
   49   2HH1  ARG   7          HH12      ARG   7 -28.591  -3.700   0.096
   50   1HH2  ARG   7          HH21      ARG   7 -28.847  -0.232   0.156
   51   2HH2  ARG   7          HH22      ARG   7 -29.293  -1.681  -0.682
   52    HA   PRO   8           HA       PRO   8 -22.445  -2.354   7.899
   53   1HB   PRO   8          HB2       PRO   8 -21.828  -4.856   6.981
   54   2HB   PRO   8          HB1       PRO   8 -23.069  -4.557   8.213
   55   1HG   PRO   8          HG2       PRO   8 -23.381  -5.104   5.308
   56   2HG   PRO   8          HG1       PRO   8 -24.374  -5.639   6.671
   57   1HD   PRO   8          HD2       PRO   8 -25.057  -3.586   4.997
   58   2HD   PRO   8          HD1       PRO   8 -25.625  -3.729   6.675
   59    H    LEU   9           HN       LEU   9 -20.256  -2.036   7.398
   60    HA   LEU   9           HA       LEU   9 -19.563  -1.164   4.725
   61   1HB   LEU   9          HB2       LEU   9 -18.388  -1.326   7.420
   62   2HB   LEU   9          HB1       LEU   9 -17.201  -1.511   6.129
   63    HG   LEU   9           HG       LEU   9 -19.244   0.717   6.110
   64   1HD1  LEU   9          HD11      LEU   9 -16.422   0.798   7.224
   65   2HD1  LEU   9          HD12      LEU   9 -17.895   0.855   8.192
   66   3HD1  LEU   9          HD13      LEU   9 -17.520   2.171   7.080
   67   1HD2  LEU   9          HD21      LEU   9 -18.124   0.221   3.983
   68   2HD2  LEU   9          HD22      LEU   9 -16.549   0.306   4.772
   69   3HD2  LEU   9          HD23      LEU   9 -17.539   1.757   4.621
   70    H    ARG  10           HN       ARG  10 -18.966  -2.481   3.048
   71    HA   ARG  10           HA       ARG  10 -17.620  -5.080   3.672
   72   1HB   ARG  10          HB2       ARG  10 -20.188  -4.916   2.944
   73   2HB   ARG  10          HB1       ARG  10 -19.470  -4.813   1.336
   74   1HG   ARG  10          HG2       ARG  10 -18.483  -6.937   1.499
   75   2HG   ARG  10          HG1       ARG  10 -18.577  -6.950   3.260
   76   1HD   ARG  10          HD2       ARG  10 -20.382  -8.331   2.803
   77   2HD   ARG  10          HD1       ARG  10 -21.216  -6.769   2.696
   78    HE   ARG  10           HE       ARG  10 -20.962  -6.859   0.257
   79   1HH1  ARG  10          HH21      ARG  10 -22.171  -9.553   1.166
   80   2HH1  ARG  10          HH22      ARG  10 -21.276 -10.652   0.172
   81   1HH2  ARG  10          HH11      ARG  10 -18.844  -8.316  -0.673
   82   2HH2  ARG  10          HH12      ARG  10 -19.383  -9.950  -0.872
   83    H    LYS  11           HN       LYS  11 -15.876  -5.551   2.329
   84    HA   LYS  11           HA       LYS  11 -14.771  -3.437   0.691
   85   1HB   LYS  11          HB2       LYS  11 -12.953  -5.053   0.368
   86   2HB   LYS  11          HB1       LYS  11 -13.462  -5.059   2.055
   87   1HG   LYS  11          HG2       LYS  11 -15.063  -6.959   0.613
   88   2HG   LYS  11          HG1       LYS  11 -13.366  -7.263   0.251
   89   1HD   LYS  11          HD2       LYS  11 -13.017  -8.120   2.303
   90   2HD   LYS  11          HD1       LYS  11 -13.706  -6.690   3.070
   91   1HE   LYS  11          HE2       LYS  11 -15.396  -8.079   3.723
   92   2HE   LYS  11          HE1       LYS  11 -15.947  -7.977   2.040
   93   1HZ   LYS  11          HZ1       LYS  11 -14.063  -9.972   3.184
   94   2HZ   LYS  11          HZ2       LYS  11 -14.370  -9.805   1.521
   95   3HZ   LYS  11          HZ3       LYS  11 -15.617 -10.275   2.576
   96    HA   PRO  12           HA       PRO  12 -16.673  -4.604  -3.129
   97   1HB   PRO  12          HB2       PRO  12 -15.080  -3.140  -4.804
   98   2HB   PRO  12          HB1       PRO  12 -16.321  -2.406  -3.771
   99   1HG   PRO  12          HG2       PRO  12 -13.380  -2.499  -3.419
  100   2HG   PRO  12          HG1       PRO  12 -14.534  -1.234  -2.974
  101   1HD   PRO  12          HD2       PRO  12 -13.419  -3.060  -1.219
  102   2HD   PRO  12          HD1       PRO  12 -14.910  -2.140  -0.930
  103    H    SER  13           HN       SER  13 -15.349  -4.934  -5.564
  104    HA   SER  13           HA       SER  13 -13.416  -7.157  -5.015
  105   1HB   SER  13          HB2       SER  13 -15.938  -7.363  -6.001
  106   2HB   SER  13          HB1       SER  13 -15.045  -7.136  -7.500
  107    HG   SER  13           HG       SER  13 -14.690  -9.126  -5.510
  108    H    ARG  14           HN       ARG  14 -12.462  -4.543  -5.377
  109    HA   ARG  14           HA       ARG  14 -11.822  -3.996  -8.165
  110   1HB   ARG  14          HB2       ARG  14 -11.324  -2.869  -5.469
  111   2HB   ARG  14          HB1       ARG  14 -10.076  -2.521  -6.665
  112   1HG   ARG  14          HG2       ARG  14 -11.450  -0.801  -7.247
  113   2HG   ARG  14          HG1       ARG  14 -12.329  -2.048  -8.132
  114   1HD   ARG  14          HD2       ARG  14 -14.057  -2.110  -6.598
  115   2HD   ARG  14          HD1       ARG  14 -12.998  -1.699  -5.235
  116    HE   ARG  14           HE       ARG  14 -13.224   0.457  -7.199
  117   1HH1  ARG  14          HH11      ARG  14 -12.871   0.753  -4.195
  118   2HH1  ARG  14          HH12      ARG  14 -14.415   1.384  -3.730
  119   1HH2  ARG  14          HH21      ARG  14 -15.970   0.497  -6.710
  120   2HH2  ARG  14          HH22      ARG  14 -16.176   1.240  -5.159
  121    HA   PRO  15           HA       PRO  15  -8.160  -6.417  -8.547
  122   1HB   PRO  15          HB2       PRO  15  -6.660  -4.849 -10.209
  123   2HB   PRO  15          HB1       PRO  15  -8.089  -5.747 -10.757
  124   1HG   PRO  15          HG2       PRO  15  -7.799  -2.863 -10.112
  125   2HG   PRO  15          HG1       PRO  15  -8.767  -3.649 -11.367
  126   1HD   PRO  15          HD2       PRO  15  -9.782  -2.689  -9.004
  127   2HD   PRO  15          HD1       PRO  15 -10.538  -3.974  -9.972
  128    H    ILE  16           HN       ILE  16  -5.739  -6.312  -8.221
  129    HA   ILE  16           HA       ILE  16  -5.013  -5.178  -5.722
  130    HB   ILE  16           HB       ILE  16  -3.325  -6.037  -8.099
  131   1HG1  ILE  16          HG12      ILE  16  -3.412  -7.857  -5.850
  132   2HG1  ILE  16          HG11      ILE  16  -5.050  -7.499  -6.395
  133   1HG2  ILE  16          HG21      ILE  16  -2.626  -5.556  -5.191
  134   2HG2  ILE  16          HG22      ILE  16  -1.914  -4.786  -6.608
  135   3HG2  ILE  16          HG23      ILE  16  -1.607  -6.492  -6.284
  136   1HD1  ILE  16          HD11      ILE  16  -3.711  -9.447  -7.538
  137   2HD1  ILE  16          HD12      ILE  16  -2.921  -8.138  -8.417
  138   3HD1  ILE  16          HD13      ILE  16  -4.668  -8.352  -8.536
  139    H    PHE  17           HN       PHE  17  -3.852  -3.286  -5.169
  140    HA   PHE  17           HA       PHE  17  -4.181  -0.976  -6.883
  141   1HB   PHE  17          HB2       PHE  17  -4.210  -1.124  -4.337
  142   2HB   PHE  17          HB1       PHE  17  -2.455  -1.277  -4.409
  143    HD1  PHE  17           HD1      PHE  17  -5.279   0.924  -5.502
  144    HD2  PHE  17           HD2      PHE  17  -1.093   0.642  -4.574
  145    HE1  PHE  17           HE1      PHE  17  -5.070   3.386  -5.694
  146    HE2  PHE  17           HE2      PHE  17  -0.886   3.105  -4.766
  147    HZ   PHE  17           HZ       PHE  17  -2.875   4.478  -5.326
  148    H    ILE  18           HN       ILE  18  -2.360   0.417  -7.573
  149    HA   ILE  18           HA       ILE  18  -0.270  -1.085  -8.950
  150    HB   ILE  18           HB       ILE  18   0.315   1.147  -9.814
  151   1HG1  ILE  18          HG12      ILE  18  -1.849   2.470  -8.251
  152   2HG1  ILE  18          HG11      ILE  18  -0.359   2.112  -7.380
  153   1HG2  ILE  18          HG21      ILE  18  -1.766  -0.129 -10.598
  154   2HG2  ILE  18          HG22      ILE  18  -1.721   1.596 -10.958
  155   3HG2  ILE  18          HG23      ILE  18  -2.697   1.002  -9.616
  156   1HD1  ILE  18          HD11      ILE  18  -0.393   3.526 -10.056
  157   2HD1  ILE  18          HD12      ILE  18   0.958   3.381  -8.930
  158   3HD1  ILE  18          HD13      ILE  18  -0.431   4.387  -8.517
  159    H    ARG  19           HN       ARG  19   2.000   0.294  -8.809
  160    HA   ARG  19           HA       ARG  19   3.353  -0.523  -6.498
  161   1HB   ARG  19          HB2       ARG  19   4.726   0.021  -8.262
  162   2HB   ARG  19          HB1       ARG  19   3.755   1.410  -8.725
  163   1HG   ARG  19          HG2       ARG  19   4.917   1.904  -6.134
  164   2HG   ARG  19          HG1       ARG  19   6.178   1.402  -7.255
  165   1HD   ARG  19          HD2       ARG  19   4.260   3.302  -8.439
  166   2HD   ARG  19          HD1       ARG  19   5.200   3.971  -7.093
  167    HE   ARG  19           HE       ARG  19   6.615   2.459  -9.243
  168   1HH1  ARG  19          HH11      ARG  19   5.755   5.394  -9.760
  169   2HH1  ARG  19          HH12      ARG  19   7.226   6.221  -9.368
  170   1HH2  ARG  19          HH21      ARG  19   8.635   3.493  -7.740
  171   2HH2  ARG  19          HH22      ARG  19   8.862   5.141  -8.221
  172    HA   PRO  20           HA       PRO  20   1.584   2.405  -3.611
  173   1HB   PRO  20          HB2       PRO  20   2.778   1.302  -1.406
  174   2HB   PRO  20          HB1       PRO  20   1.320   0.628  -2.164
  175   1HG   PRO  20          HG2       PRO  20   4.146  -0.259  -2.379
  176   2HG   PRO  20          HG1       PRO  20   2.662  -1.217  -2.328
  177   1HD   PRO  20          HD2       PRO  20   4.055  -0.682  -4.627
  178   2HD   PRO  20          HD1       PRO  20   2.321  -1.041  -4.574
  179    H    ILE  21           HN       ILE  21   2.562   3.858  -1.906
  180    HA   ILE  21           HA       ILE  21   4.972   5.143  -2.909
  181    HB   ILE  21           HB       ILE  21   2.809   5.593  -0.909
  182   1HG1  ILE  21          HG12      ILE  21   2.807   6.425  -3.277
  183   2HG1  ILE  21          HG11      ILE  21   2.633   7.695  -2.073
  184   1HG2  ILE  21          HG21      ILE  21   4.805   6.024   0.470
  185   2HG2  ILE  21          HG22      ILE  21   3.973   7.530   0.086
  186   3HG2  ILE  21          HG23      ILE  21   5.445   7.092  -0.780
  187   1HD1  ILE  21          HD11      ILE  21   5.374   6.969  -3.068
  188   2HD1  ILE  21          HD12      ILE  21   4.802   8.502  -2.411
  189   3HD1  ILE  21          HD13      ILE  21   4.341   8.015  -4.042
  190    H    GLY  22           HN       GLY  22   6.751   5.735  -1.367
  191   1HA   GLY  22          HA2       GLY  22   8.014   5.217   0.686
  192   2HA   GLY  22          HA1       GLY  22   7.314   3.601   0.640
  193    H    CYS  23           HN       CYS  23   7.735   2.579  -1.698
  194    HA   CYS  23           HA       CYS  23  10.622   2.239  -1.932
  195   1HB   CYS  23          HB2       CYS  23   8.153   1.233  -3.335
  196   2HB   CYS  23          HB1       CYS  23   9.746   0.817  -3.937
  197    H    ASP  24           HN       ASP  24   8.297   4.347  -3.377
  198    HA   ASP  24           HA       ASP  24   9.639   4.767  -5.920
  199   1HB   ASP  24          HB2       ASP  24   7.686   6.565  -4.457
  200   2HB   ASP  24          HB1       ASP  24   7.948   6.471  -6.192
  201    H    VAL  25           HN       VAL  25  10.520   5.732  -2.780
  202    HA   VAL  25           HA       VAL  25  12.245   7.880  -3.879
  203    HB   VAL  25           HB       VAL  25  10.555   8.177  -1.371
  204   1HG1  VAL  25          HG11      VAL  25  11.567  10.191  -1.115
  205   2HG1  VAL  25          HG12      VAL  25  11.477  10.553  -2.839
  206   3HG1  VAL  25          HG13      VAL  25  12.792   9.558  -2.214
  207   1HG2  VAL  25          HG21      VAL  25   9.208   9.788  -2.815
  208   2HG2  VAL  25          HG22      VAL  25   8.991   8.082  -3.207
  209   3HG2  VAL  25          HG23      VAL  25  10.024   9.094  -4.216
  210    H    CYS  26           HN       CYS  26  13.683   5.940  -3.548
  211    HA   CYS  26           HA       CYS  26  14.344   4.645  -1.179
  212   1HB   CYS  26          HB2       CYS  26  15.900   5.655  -3.548
  213   2HB   CYS  26          HB1       CYS  26  16.744   4.823  -2.247
  214    H    TYR  27           HN       TYR  27  15.007   7.996  -2.023
  215    HA   TYR  27           HA       TYR  27  16.641   8.304   0.461
  216   1HB   TYR  27          HB2       TYR  27  16.308  10.012  -2.020
  217   2HB   TYR  27          HB1       TYR  27  17.335  10.438  -0.656
  218    HD1  TYR  27           HD1      TYR  27  16.935   8.248  -3.571
  219    HD2  TYR  27           HD2      TYR  27  19.356   9.117  -0.130
  220    HE1  TYR  27           HE1      TYR  27  18.763   6.859  -4.506
  221    HE2  TYR  27           HE2      TYR  27  21.184   7.728  -1.066
  222    HH   TYR  27           HH       TYR  27  21.776   7.021  -3.728
  223    H    GLY  28           HN       GLY  28  15.722   9.364   2.150
  224   1HA   GLY  28          HA2       GLY  28  14.472  11.350   2.953
  225   2HA   GLY  28          HA1       GLY  28  13.342  11.096   1.626
  226    H    ILE  29           HN       ILE  29  13.363   8.120   2.083
  227    HA   ILE  29           HA       ILE  29  11.235   8.079   4.089
  228    HB   ILE  29           HB       ILE  29  11.028   5.730   3.403
  229   1HG1  ILE  29          HG12      ILE  29  13.540   6.190   1.762
  230   2HG1  ILE  29          HG11      ILE  29  13.499   5.296   3.281
  231   1HG2  ILE  29          HG21      ILE  29  10.098   7.488   1.933
  232   2HG2  ILE  29          HG22      ILE  29  10.621   6.080   1.010
  233   3HG2  ILE  29          HG23      ILE  29  11.617   7.535   1.040
  234   1HD1  ILE  29          HD11      ILE  29  12.721   3.449   2.253
  235   2HD1  ILE  29          HD12      ILE  29  13.017   4.261   0.717
  236   3HD1  ILE  29          HD13      ILE  29  11.428   4.359   1.474
  237    HA   PRO  30           HA       PRO  30  13.559   6.722   7.538
  238   1HB   PRO  30          HB2       PRO  30  11.813   4.974   8.728
  239   2HB   PRO  30          HB1       PRO  30  11.622   6.738   8.769
  240   1HG   PRO  30          HG2       PRO  30  10.211   4.721   7.133
  241   2HG   PRO  30          HG1       PRO  30   9.633   6.260   7.774
  242   1HD   PRO  30          HD2       PRO  30  10.391   5.818   5.149
  243   2HD   PRO  30          HD1       PRO  30  10.297   7.408   5.928
  244    H    SER  31           HN       SER  31  14.776   4.934   8.410
  245    HA   SER  31           HA       SER  31  15.778   3.056   6.537
  246   1HB   SER  31          HB2       SER  31  16.662   3.973   8.821
  247   2HB   SER  31          HB1       SER  31  15.800   2.603   9.514
  248    HG   SER  31           HG       SER  31  17.740   1.769   9.043
  249    H    SER  32           HN       SER  32  13.262   2.645   9.048
  250    HA   SER  32           HA       SER  32  12.932  -0.182   8.785
  251   1HB   SER  32          HB2       SER  32  11.996   1.564  10.492
  252   2HB   SER  32          HB1       SER  32  10.684   1.758   9.333
  253    HG   SER  32           HG       SER  32  10.522   0.077  11.087
  254    H    THR  33           HN       THR  33  11.265   2.520   7.128
  255    HA   THR  33           HA       THR  33   9.617   0.836   5.448
  256    HB   THR  33           HB       THR  33  10.657   3.674   5.131
  257    HG1  THR  33           HG1      THR  33   8.095   2.835   5.980
  258   1HG2  THR  33          HG21      THR  33   8.771   2.014   3.529
  259   2HG2  THR  33          HG22      THR  33   9.842   3.315   3.012
  260   3HG2  THR  33          HG23      THR  33   8.317   3.695   3.813
  261    H    ALA  34           HN       ALA  34  12.790   2.400   5.044
  262    HA   ALA  34           HA       ALA  34  13.267   1.649   2.327
  263   1HB   ALA  34          HB1       ALA  34  15.612   2.159   2.932
  264   2HB   ALA  34          HB2       ALA  34  15.187   2.079   4.642
  265   3HB   ALA  34          HB3       ALA  34  14.517   3.356   3.626
  266    H    ARG  35           HN       ARG  35  13.889  -0.041   5.404
  267    HA   ARG  35           HA       ARG  35  15.397  -2.235   4.324
  268   1HB   ARG  35          HB2       ARG  35  15.177  -1.562   6.740
  269   2HB   ARG  35          HB1       ARG  35  13.518  -2.159   6.713
  270   1HG   ARG  35          HG2       ARG  35  14.709  -3.995   7.559
  271   2HG   ARG  35          HG1       ARG  35  14.588  -4.376   5.841
  272   1HD   ARG  35          HD2       ARG  35  16.853  -3.380   5.487
  273   2HD   ARG  35          HD1       ARG  35  16.978  -3.119   7.238
  274    HE   ARG  35           HE       ARG  35  16.321  -5.868   6.331
  275   1HH1  ARG  35          HH11      ARG  35  17.229  -5.422   9.095
  276   2HH1  ARG  35          HH12      ARG  35  18.916  -5.806   9.024
  277   1HH2  ARG  35          HH21      ARG  35  19.088  -5.572   5.559
  278   2HH2  ARG  35          HH22      ARG  35  19.974  -5.892   7.013
  279    H    LEU  36           HN       LEU  36  11.905  -1.801   4.935
  280    HA   LEU  36           HA       LEU  36  11.092  -4.414   4.021
  281   1HB   LEU  36          HB2       LEU  36   9.953  -2.239   5.272
  282   2HB   LEU  36          HB1       LEU  36   9.227  -2.145   3.669
  283    HG   LEU  36           HG       LEU  36   7.819  -3.510   5.130
  284   1HD1  LEU  36          HD11      LEU  36   8.187  -4.135   2.685
  285   2HD1  LEU  36          HD12      LEU  36   7.585  -5.427   3.722
  286   3HD1  LEU  36          HD13      LEU  36   9.287  -5.385   3.264
  287   1HD2  LEU  36          HD21      LEU  36   9.727  -4.203   6.641
  288   2HD2  LEU  36          HD22      LEU  36  10.193  -5.374   5.408
  289   3HD2  LEU  36          HD23      LEU  36   8.628  -5.512   6.208
  290    H    CYS  37           HN       CYS  37  11.499  -1.274   2.395
  291    HA   CYS  37           HA       CYS  37  10.354  -2.009  -0.136
  292   1HB   CYS  37          HB2       CYS  37  12.028   0.134   1.042
  293   2HB   CYS  37          HB1       CYS  37  12.221  -0.091  -0.694
  294    H    CYS  38           HN       CYS  38  13.573  -2.484   1.265
  295    HA   CYS  38           HA       CYS  38  14.726  -3.378  -1.302
  296   1HB   CYS  38          HB2       CYS  38  16.088  -2.092   0.233
  297   2HB   CYS  38          HB1       CYS  38  15.708  -3.181   1.562
  298    H    PHE  39           HN       PHE  39  13.613  -4.754   1.767
  299    HA   PHE  39           HA       PHE  39  14.490  -7.460   1.266
  300   1HB   PHE  39          HB2       PHE  39  14.130  -6.784   3.507
  301   2HB   PHE  39          HB1       PHE  39  12.562  -6.076   3.130
  302    HD1  PHE  39           HD1      PHE  39  10.610  -7.306   3.526
  303    HD2  PHE  39           HD2      PHE  39  14.355  -9.369   3.105
  304    HE1  PHE  39           HE1      PHE  39   9.502  -9.443   4.121
  305    HE2  PHE  39           HE2      PHE  39  13.245 -11.506   3.699
  306    HZ   PHE  39           HZ       PHE  39  10.818 -11.543   4.207
  307    H    ARG  40           HN       ARG  40  11.410  -5.751   0.714
  308    HA   ARG  40           HA       ARG  40  10.232  -8.242  -0.409
  309   1HB   ARG  40          HB2       ARG  40   9.289  -5.688   0.781
  310   2HB   ARG  40          HB1       ARG  40   8.255  -6.399  -0.454
  311   1HG   ARG  40          HG2       ARG  40   8.930  -8.595   1.072
  312   2HG   ARG  40          HG1       ARG  40   8.801  -7.320   2.283
  313   1HD   ARG  40          HD2       ARG  40   6.591  -8.235   2.072
  314   2HD   ARG  40          HD1       ARG  40   6.555  -6.712   1.162
  315    HE   ARG  40           HE       ARG  40   7.344  -9.081  -0.405
  316   1HH1  ARG  40          HH21      ARG  40   6.173  -6.646  -1.654
  317   2HH1  ARG  40          HH22      ARG  40   4.540  -7.130  -1.966
  318   1HH2  ARG  40          HH11      ARG  40   4.656  -9.852   0.192
  319   2HH2  ARG  40          HH12      ARG  40   3.678  -8.949  -0.916
  320    H    TYR  41           HN       TYR  41  10.423  -4.772  -1.364
  321    HA   TYR  41           HA       TYR  41   9.723  -5.402  -4.130
  322   1HB   TYR  41          HB2       TYR  41  10.648  -2.923  -2.670
  323   2HB   TYR  41          HB1       TYR  41  10.229  -2.922  -4.379
  324    HD1  TYR  41           HD1      TYR  41   7.941  -3.032  -5.106
  325    HD2  TYR  41           HD2      TYR  41   8.936  -3.464  -0.949
  326    HE1  TYR  41           HE1      TYR  41   5.545  -2.796  -4.508
  327    HE2  TYR  41           HE2      TYR  41   6.540  -3.237  -0.352
  328    HH   TYR  41           HH       TYR  41   4.116  -3.700  -2.264
  329    H    GLY  42           HN       GLY  42  12.713  -4.576  -2.396
  330   1HA   GLY  42          HA2       GLY  42  14.864  -5.429  -3.105
  331   2HA   GLY  42          HA1       GLY  42  14.245  -5.556  -4.747
  332    H    ASP  43           HN       ASP  43  13.367  -2.595  -3.253
  333    HA   ASP  43           HA       ASP  43  15.508  -1.193  -4.799
  334   1HB   ASP  43          HB2       ASP  43  12.891  -0.043  -3.811
  335   2HB   ASP  43          HB1       ASP  43  13.914   0.558  -5.104
  336    H    CYS  44           HN       CYS  44  16.367   0.790  -3.822
  337    HA   CYS  44           HA       CYS  44  17.314   2.027  -2.045
  338   1HB   CYS  44          HB2       CYS  44  15.104   0.881  -0.332
  339   2HB   CYS  44          HB1       CYS  44  15.886   2.443  -0.177
  340    H    CYS  45           HN       CYS  45  18.297  -0.603  -2.578
  341    HA   CYS  45           HA       CYS  45  18.687  -1.939   0.029
  342   1HB   CYS  45          HB2       CYS  45  19.470  -2.467  -2.847
  343   2HB   CYS  45          HB1       CYS  45  20.025  -3.490  -1.525
  344    H    HIS  46           HN       HIS  46  20.876  -0.805  -2.573
  345    HA   HIS  46           HA       HIS  46  23.079  -0.514  -0.621
  346   1HB   HIS  46          HB2       HIS  46  22.733  -0.468  -3.612
  347   2HB   HIS  46          HB1       HIS  46  24.214   0.169  -2.898
  348    HD1  HIS  46           HD1      HIS  46  25.574  -1.546  -1.325
  349    HD2  HIS  46           HD2      HIS  46  22.624  -3.253  -3.726
  350    HE1  HIS  46           HE1      HIS  46  26.037  -4.037  -1.369
  351    H    LEU  47           HN       LEU  47  21.694   1.301   0.427
  352    HA   LEU  47           HA       LEU  47  21.809   3.886  -1.041
  353   1HB   LEU  47          HB2       LEU  47  19.915   2.700   0.525
  354   2HB   LEU  47          HB1       LEU  47  20.739   3.701   1.721
  355    HG   LEU  47           HG       LEU  47  20.501   5.423  -0.423
  356   1HD1  LEU  47          HD11      LEU  47  19.057   3.828  -1.619
  357   2HD1  LEU  47          HD12      LEU  47  18.137   5.253  -1.134
  358   3HD1  LEU  47          HD13      LEU  47  17.977   3.749  -0.225
  359   1HD2  LEU  47          HD21      LEU  47  20.022   6.245   1.721
  360   2HD2  LEU  47          HD22      LEU  47  18.888   4.941   2.073
  361   3HD2  LEU  47          HD23      LEU  47  18.428   6.233   0.965
  Start of MODEL   15
    1   1H    HIS   1           HT1      HIS   1 -25.165  -4.999  12.128
    2   2H    HIS   1           HT2      HIS   1 -25.073  -3.925  10.815
    3   3H    HIS   1           HT3      HIS   1 -26.044  -3.548  12.156
    4    HA   HIS   1           HA       HIS   1 -24.064  -2.240  12.334
    5   1HB   HIS   1          HB2       HIS   1 -25.155  -3.521  14.293
    6   2HB   HIS   1          HB1       HIS   1 -23.786  -4.628  14.174
    7    HD1  HIS   1           HD1      HIS   1 -21.490  -3.781  14.956
    8    HD2  HIS   1           HD2      HIS   1 -24.459  -0.861  15.147
    9    HE1  HIS   1           HE1      HIS   1 -20.505  -1.841  16.251
   10    H    SER   2           HN       SER   2 -21.775  -2.090  12.148
   11    HA   SER   2           HA       SER   2 -20.298  -4.557  11.329
   12   1HB   SER   2          HB2       SER   2 -20.977  -2.135   9.770
   13   2HB   SER   2          HB1       SER   2 -19.293  -2.639   9.652
   14    HG   SER   2           HG       SER   2 -19.908  -4.289   8.510
   15    H    SER   3           HN       SER   3 -18.059  -4.486  11.846
   16    HA   SER   3           HA       SER   3 -17.095  -2.046  13.290
   17   1HB   SER   3          HB2       SER   3 -17.877  -4.422  14.458
   18   2HB   SER   3          HB1       SER   3 -16.141  -4.655  14.278
   19    HG   SER   3           HG       SER   3 -17.571  -2.826  15.816
   20    H    GLY   4           HN       GLY   4 -15.796  -1.457  11.465
   21   1HA   GLY   4          HA2       GLY   4 -13.184  -1.999  11.253
   22   2HA   GLY   4          HA1       GLY   4 -13.840  -3.419  10.439
   23    H    TYR   5           HN       TYR   5 -12.794  -2.659   8.459
   24    HA   TYR   5           HA       TYR   5 -13.932  -0.185   7.245
   25   1HB   TYR   5          HB2       TYR   5 -11.401  -1.259   7.376
   26   2HB   TYR   5          HB1       TYR   5 -11.932  -1.786   5.779
   27    HD1  TYR   5           HD1      TYR   5 -11.350   1.159   7.950
   28    HD2  TYR   5           HD2      TYR   5 -12.294  -0.212   3.990
   29    HE1  TYR   5           HE1      TYR   5 -10.956   3.442   7.067
   30    HE2  TYR   5           HE2      TYR   5 -11.898   2.071   3.106
   31    HH   TYR   5           HH       TYR   5 -12.029   4.538   4.270
   32    H    THR   6           HN       THR   6 -14.957  -0.262   5.175
   33    HA   THR   6           HA       THR   6 -15.933  -2.976   4.346
   34    HB   THR   6           HB       THR   6 -17.286  -0.259   4.204
   35    HG1  THR   6           HG1      THR   6 -17.674  -0.757   6.205
   36   1HG2  THR   6          HG21      THR   6 -18.283  -3.041   3.528
   37   2HG2  THR   6          HG22      THR   6 -18.006  -1.726   2.386
   38   3HG2  THR   6          HG23      THR   6 -19.291  -1.596   3.587
   39    H    ARG   7           HN       ARG   7 -15.631  -3.503   2.199
   40    HA   ARG   7           HA       ARG   7 -14.031  -1.723   0.517
   41   1HB   ARG   7          HB2       ARG   7 -14.043  -3.667  -0.997
   42   2HB   ARG   7          HB1       ARG   7 -13.704  -4.183   0.654
   43   1HG   ARG   7          HG2       ARG   7 -16.548  -4.192   0.278
   44   2HG   ARG   7          HG1       ARG   7 -15.807  -5.064  -1.064
   45   1HD   ARG   7          HD2       ARG   7 -14.354  -6.134   0.920
   46   2HD   ARG   7          HD1       ARG   7 -15.810  -5.728   1.850
   47    HE   ARG   7           HE       ARG   7 -17.107  -6.976   0.053
   48   1HH1  ARG   7          HH11      ARG   7 -15.662  -8.955   1.732
   49   2HH1  ARG   7          HH12      ARG   7 -14.827  -9.914   0.557
   50   1HH2  ARG   7          HH21      ARG   7 -15.200  -7.577  -1.991
   51   2HH2  ARG   7          HH22      ARG   7 -14.566  -9.131  -1.564
   52    HA   PRO   8           HA       PRO   8 -17.404   0.132  -1.648
   53   1HB   PRO   8          HB2       PRO   8 -16.147   0.754  -3.999
   54   2HB   PRO   8          HB1       PRO   8 -15.869   1.645  -2.489
   55   1HG   PRO   8          HG2       PRO   8 -14.211  -0.470  -3.771
   56   2HG   PRO   8          HG1       PRO   8 -13.708   1.007  -2.933
   57   1HD   PRO   8          HD2       PRO   8 -13.630  -1.461  -1.788
   58   2HD   PRO   8          HD1       PRO   8 -13.853   0.039  -0.862
   59    H    LEU   9           HN       LEU   9 -18.797  -0.229  -3.536
   60    HA   LEU   9           HA       LEU   9 -19.183  -2.994  -4.208
   61   1HB   LEU   9          HB2       LEU   9 -20.681  -0.752  -4.241
   62   2HB   LEU   9          HB1       LEU   9 -20.264  -0.827  -5.952
   63    HG   LEU   9           HG       LEU   9 -20.994  -3.459  -5.005
   64   1HD1  LEU   9          HD11      LEU   9 -22.318  -2.260  -3.319
   65   2HD1  LEU   9          HD12      LEU   9 -23.381  -2.982  -4.526
   66   3HD1  LEU   9          HD13      LEU   9 -23.035  -1.254  -4.578
   67   1HD2  LEU   9          HD21      LEU   9 -22.379  -1.574  -6.941
   68   2HD2  LEU   9          HD22      LEU   9 -22.541  -3.329  -6.887
   69   3HD2  LEU   9          HD23      LEU   9 -21.007  -2.600  -7.360
   70    H    ARG  10           HN       ARG  10 -18.751  -4.101  -6.183
   71    HA   ARG  10           HA       ARG  10 -16.326  -3.464  -7.564
   72   1HB   ARG  10          HB2       ARG  10 -18.574  -5.409  -7.766
   73   2HB   ARG  10          HB1       ARG  10 -17.584  -5.210  -9.211
   74   1HG   ARG  10          HG2       ARG  10 -16.211  -6.726  -8.221
   75   2HG   ARG  10          HG1       ARG  10 -15.663  -5.352  -7.260
   76   1HD   ARG  10          HD2       ARG  10 -16.911  -5.987  -5.390
   77   2HD   ARG  10          HD1       ARG  10 -18.091  -6.891  -6.362
   78    HE   ARG  10           HE       ARG  10 -15.300  -7.819  -5.804
   79   1HH1  ARG  10          HH11      ARG  10 -17.708  -9.159  -4.567
   80   2HH1  ARG  10          HH12      ARG  10 -17.943 -10.510  -5.625
   81   1HH2  ARG  10          HH21      ARG  10 -15.957  -9.204  -8.161
   82   2HH2  ARG  10          HH22      ARG  10 -16.948 -10.535  -7.667
   83    H    LYS  11           HN       LYS  11 -16.206  -1.583  -8.765
   84    HA   LYS  11           HA       LYS  11 -18.307  -1.140 -10.846
   85   1HB   LYS  11          HB2       LYS  11 -18.278   0.340  -8.706
   86   2HB   LYS  11          HB1       LYS  11 -16.828   1.061  -9.404
   87   1HG   LYS  11          HG2       LYS  11 -18.035   1.744 -11.384
   88   2HG   LYS  11          HG1       LYS  11 -19.468   0.848 -10.876
   89   1HD   LYS  11          HD2       LYS  11 -19.116   2.409  -8.694
   90   2HD   LYS  11          HD1       LYS  11 -18.440   3.471  -9.930
   91   1HE   LYS  11          HE2       LYS  11 -20.660   2.743 -11.246
   92   2HE   LYS  11          HE1       LYS  11 -21.256   2.521  -9.589
   93   1HZ   LYS  11          HZ1       LYS  11 -20.421   4.738  -9.041
   94   2HZ   LYS  11          HZ2       LYS  11 -21.568   4.810 -10.292
   95   3HZ   LYS  11          HZ3       LYS  11 -19.914   4.958 -10.646
   96    HA   PRO  12           HA       PRO  12 -14.745  -1.072 -13.494
   97   1HB   PRO  12          HB2       PRO  12 -15.968  -0.086 -15.740
   98   2HB   PRO  12          HB1       PRO  12 -16.173  -1.758 -15.183
   99   1HG   PRO  12          HG2       PRO  12 -17.993   0.571 -14.889
  100   2HG   PRO  12          HG1       PRO  12 -18.374  -1.132 -15.184
  101   1HD   PRO  12          HD2       PRO  12 -18.589   0.093 -12.743
  102   2HD   PRO  12          HD1       PRO  12 -18.345  -1.652 -12.965
  103    H    SER  13           HN       SER  13 -14.297   0.869 -15.483
  104    HA   SER  13           HA       SER  13 -13.313   3.001 -15.732
  105   1HB   SER  13          HB2       SER  13 -15.910   3.268 -15.417
  106   2HB   SER  13          HB1       SER  13 -15.462   3.985 -13.874
  107    HG   SER  13           HG       SER  13 -15.234   5.708 -15.086
  108    H    ARG  14           HN       ARG  14 -11.916   1.591 -13.879
  109    HA   ARG  14           HA       ARG  14 -11.726   3.094 -11.350
  110   1HB   ARG  14          HB2       ARG  14 -10.602   0.590 -12.557
  111   2HB   ARG  14          HB1       ARG  14  -9.774   1.305 -11.173
  112   1HG   ARG  14          HG2       ARG  14 -11.678   1.092  -9.778
  113   2HG   ARG  14          HG1       ARG  14 -12.753   0.820 -11.149
  114   1HD   ARG  14          HD2       ARG  14 -11.596  -1.345 -11.600
  115   2HD   ARG  14          HD1       ARG  14 -10.601  -1.083 -10.153
  116    HE   ARG  14           HE       ARG  14 -13.592  -1.295 -10.084
  117   1HH1  ARG  14          HH21      ARG  14 -11.997  -0.049  -7.769
  118   2HH1  ARG  14          HH22      ARG  14 -11.868  -1.402  -6.695
  119   1HH2  ARG  14          HH11      ARG  14 -12.785  -3.735  -9.103
  120   2HH2  ARG  14          HH12      ARG  14 -12.319  -3.497  -7.452
  121    HA   PRO  15           HA       PRO  15  -8.316   5.631 -12.496
  122   1HB   PRO  15          HB2       PRO  15  -6.800   5.620 -10.223
  123   2HB   PRO  15          HB1       PRO  15  -8.351   6.473 -10.345
  124   1HG   PRO  15          HG2       PRO  15  -7.724   3.860  -9.078
  125   2HG   PRO  15          HG1       PRO  15  -8.850   5.124  -8.564
  126   1HD   PRO  15          HD2       PRO  15  -9.608   2.812  -9.823
  127   2HD   PRO  15          HD1       PRO  15 -10.541   4.323  -9.868
  128    H    ILE  16           HN       ILE  16  -5.761   5.652 -12.300
  129    HA   ILE  16           HA       ILE  16  -4.716   3.440 -13.782
  130    HB   ILE  16           HB       ILE  16  -2.534   4.557 -13.332
  131   1HG1  ILE  16          HG12      ILE  16  -3.886   6.701 -11.758
  132   2HG1  ILE  16          HG11      ILE  16  -3.516   5.202 -10.905
  133   1HG2  ILE  16          HG21      ILE  16  -4.586   6.716 -13.770
  134   2HG2  ILE  16          HG22      ILE  16  -4.363   5.433 -14.960
  135   3HG2  ILE  16          HG23      ILE  16  -3.021   6.502 -14.553
  136   1HD1  ILE  16          HD11      ILE  16  -1.578   7.011 -12.368
  137   2HD1  ILE  16          HD12      ILE  16  -1.153   5.392 -11.811
  138   3HD1  ILE  16          HD13      ILE  16  -1.605   6.636 -10.645
  139    H    PHE  17           HN       PHE  17  -2.608   2.298 -12.926
  140    HA   PHE  17           HA       PHE  17  -3.285   0.418 -10.922
  141   1HB   PHE  17          HB2       PHE  17  -0.720   1.374 -12.188
  142   2HB   PHE  17          HB1       PHE  17  -0.700   0.103 -10.970
  143    HD1  PHE  17           HD1      PHE  17  -2.040  -2.003 -11.346
  144    HD2  PHE  17           HD2      PHE  17  -1.454   0.940 -14.420
  145    HE1  PHE  17           HE1      PHE  17  -2.710  -3.662 -13.063
  146    HE2  PHE  17           HE2      PHE  17  -2.122  -0.720 -16.136
  147    HZ   PHE  17           HZ       PHE  17  -2.751  -3.020 -15.458
  148    H    ILE  18           HN       ILE  18  -2.543   0.184  -8.743
  149    HA   ILE  18           HA       ILE  18  -2.180   2.739  -7.297
  150    HB   ILE  18           HB       ILE  18  -2.711   1.380  -5.340
  151   1HG1  ILE  18          HG12      ILE  18  -2.885  -1.095  -7.045
  152   2HG1  ILE  18          HG11      ILE  18  -1.331  -0.624  -6.359
  153   1HG2  ILE  18          HG21      ILE  18  -4.493   0.275  -7.499
  154   2HG2  ILE  18          HG22      ILE  18  -4.488   2.003  -7.150
  155   3HG2  ILE  18          HG23      ILE  18  -4.925   0.850  -5.889
  156   1HD1  ILE  18          HD11      ILE  18  -2.264  -2.046  -4.718
  157   2HD1  ILE  18          HD12      ILE  18  -3.874  -1.353  -4.910
  158   3HD1  ILE  18          HD13      ILE  18  -2.604  -0.425  -4.115
  159    H    ARG  19           HN       ARG  19  -0.706   2.163  -5.156
  160    HA   ARG  19           HA       ARG  19   1.978   2.387  -5.912
  161   1HB   ARG  19          HB2       ARG  19   2.386   2.327  -3.611
  162   2HB   ARG  19          HB1       ARG  19   0.672   2.717  -3.651
  163   1HG   ARG  19          HG2       ARG  19   1.609  -0.151  -3.483
  164   2HG   ARG  19          HG1       ARG  19   1.454   0.845  -2.041
  165   1HD   ARG  19          HD2       ARG  19  -0.918   1.096  -3.704
  166   2HD   ARG  19          HD1       ARG  19  -0.612  -0.595  -3.265
  167    HE   ARG  19           HE       ARG  19  -0.366   0.259  -0.871
  168   1HH1  ARG  19          HH21      ARG  19  -0.569   3.164  -1.342
  169   2HH1  ARG  19          HH22      ARG  19  -2.246   3.491  -1.061
  170   1HH2  ARG  19          HH11      ARG  19  -3.206   0.159  -1.346
  171   2HH2  ARG  19          HH12      ARG  19  -3.748   1.779  -1.062
  172    HA   PRO  20           HA       PRO  20   3.214  -1.631  -7.187
  173   1HB   PRO  20          HB2       PRO  20   5.905  -1.416  -6.707
  174   2HB   PRO  20          HB1       PRO  20   5.087  -0.639  -8.079
  175   1HG   PRO  20          HG2       PRO  20   5.943   0.528  -5.478
  176   2HG   PRO  20          HG1       PRO  20   6.002   1.227  -7.102
  177   1HD   PRO  20          HD2       PRO  20   4.093   1.873  -5.280
  178   2HD   PRO  20          HD1       PRO  20   3.819   1.911  -7.031
  179    H    ILE  21           HN       ILE  21   4.573  -3.523  -6.364
  180    HA   ILE  21           HA       ILE  21   3.755  -4.211  -3.662
  181    HB   ILE  21           HB       ILE  21   5.003  -5.461  -6.062
  182   1HG1  ILE  21          HG12      ILE  21   2.548  -5.431  -5.534
  183   2HG1  ILE  21          HG11      ILE  21   3.214  -7.044  -5.756
  184   1HG2  ILE  21          HG21      ILE  21   5.178  -6.761  -3.326
  185   2HG2  ILE  21          HG22      ILE  21   6.551  -6.196  -4.278
  186   3HG2  ILE  21          HG23      ILE  21   5.563  -7.533  -4.863
  187   1HD1  ILE  21          HD11      ILE  21   1.670  -6.416  -3.647
  188   2HD1  ILE  21          HD12      ILE  21   3.237  -5.956  -2.983
  189   3HD1  ILE  21          HD13      ILE  21   2.966  -7.607  -3.539
  190    H    GLY  22           HN       GLY  22   5.390  -5.241  -2.157
  191   1HA   GLY  22          HA2       GLY  22   7.660  -5.356  -1.277
  192   2HA   GLY  22          HA1       GLY  22   8.061  -3.930  -2.232
  193    H    CYS  23           HN       CYS  23   6.468  -2.020  -1.669
  194    HA   CYS  23           HA       CYS  23   6.944  -1.267   1.077
  195   1HB   CYS  23          HB2       CYS  23   5.548  -0.213  -1.342
  196   2HB   CYS  23          HB1       CYS  23   5.170   0.549   0.197
  197    H    ASP  24           HN       ASP  24   4.194  -2.703  -0.602
  198    HA   ASP  24           HA       ASP  24   2.350  -2.321   1.654
  199   1HB   ASP  24          HB2       ASP  24   2.212  -2.823  -1.104
  200   2HB   ASP  24          HB1       ASP  24   1.611  -4.300  -0.354
  201    H    VAL  25           HN       VAL  25   4.990  -4.158   1.591
  202    HA   VAL  25           HA       VAL  25   3.740  -6.378   3.112
  203    HB   VAL  25           HB       VAL  25   5.917  -6.712   1.016
  204   1HG1  VAL  25          HG11      VAL  25   4.785  -9.138   1.281
  205   2HG1  VAL  25          HG12      VAL  25   4.455  -8.506   2.894
  206   3HG1  VAL  25          HG13      VAL  25   6.115  -8.602   2.308
  207   1HG2  VAL  25          HG21      VAL  25   3.999  -7.880  -0.261
  208   2HG2  VAL  25          HG22      VAL  25   3.994  -6.117  -0.253
  209   3HG2  VAL  25          HG23      VAL  25   2.912  -7.006   0.819
  210    H    CYS  26           HN       CYS  26   4.699  -4.535   4.618
  211    HA   CYS  26           HA       CYS  26   7.401  -4.031   5.073
  212   1HB   CYS  26          HB2       CYS  26   5.094  -4.509   6.978
  213   2HB   CYS  26          HB1       CYS  26   6.641  -3.859   7.505
  214    H    TYR  27           HN       TYR  27   5.686  -7.047   5.626
  215    HA   TYR  27           HA       TYR  27   8.032  -8.160   7.097
  216   1HB   TYR  27          HB2       TYR  27   5.318  -9.425   6.659
  217   2HB   TYR  27          HB1       TYR  27   6.492  -9.798   7.916
  218    HD1  TYR  27           HD1      TYR  27   3.595  -7.889   7.086
  219    HD2  TYR  27           HD2      TYR  27   7.104  -7.866   9.563
  220    HE1  TYR  27           HE1      TYR  27   2.538  -6.207   8.568
  221    HE2  TYR  27           HE2      TYR  27   6.046  -6.184  11.046
  222    HH   TYR  27           HH       TYR  27   4.010  -4.292  10.508
  223    H    GLY  28           HN       GLY  28   9.394  -9.479   5.981
  224   1HA   GLY  28          HA2       GLY  28   9.645 -11.491   4.556
  225   2HA   GLY  28          HA1       GLY  28   8.363 -10.849   3.532
  226    H    ILE  29           HN       ILE  29   9.504  -8.075   3.705
  227    HA   ILE  29           HA       ILE  29  11.410  -8.370   1.494
  228    HB   ILE  29           HB       ILE  29  11.186  -5.940   1.341
  229   1HG1  ILE  29          HG12      ILE  29   9.595  -6.107   3.923
  230   2HG1  ILE  29          HG11      ILE  29  11.252  -5.512   3.810
  231   1HG2  ILE  29          HG21      ILE  29   9.355  -7.355   0.462
  232   2HG2  ILE  29          HG22      ILE  29   8.764  -5.791   1.021
  233   3HG2  ILE  29          HG23      ILE  29   8.526  -7.229   2.013
  234   1HD1  ILE  29          HD11      ILE  29   8.757  -4.311   2.597
  235   2HD1  ILE  29          HD12      ILE  29  10.372  -3.861   2.051
  236   3HD1  ILE  29          HD13      ILE  29   9.891  -3.562   3.721
  237    HA   PRO  30           HA       PRO  30  15.086  -7.816   3.786
  238   1HB   PRO  30          HB2       PRO  30  16.594  -6.307   2.062
  239   2HB   PRO  30          HB1       PRO  30  16.264  -8.036   1.831
  240   1HG   PRO  30          HG2       PRO  30  15.072  -5.690   0.490
  241   2HG   PRO  30          HG1       PRO  30  15.364  -7.316  -0.129
  242   1HD   PRO  30          HD2       PRO  30  12.902  -6.339   0.690
  243   2HD   PRO  30          HD1       PRO  30  13.320  -8.055   0.535
  244    H    SER  31           HN       SER  31  16.303  -6.307   5.046
  245    HA   SER  31           HA       SER  31  14.897  -4.107   6.141
  246   1HB   SER  31          HB2       SER  31  16.980  -5.551   6.887
  247   2HB   SER  31          HB1       SER  31  17.897  -4.251   6.132
  248    HG   SER  31           HG       SER  31  16.777  -4.285   8.522
  249    H    SER  32           HN       SER  32  17.397  -4.148   3.584
  250    HA   SER  32           HA       SER  32  17.727  -1.308   3.375
  251   1HB   SER  32          HB2       SER  32  19.065  -3.337   2.400
  252   2HB   SER  32          HB1       SER  32  17.928  -3.231   1.059
  253    HG   SER  32           HG       SER  32  19.951  -1.958   0.923
  254    H    THR  33           HN       THR  33  15.570  -3.566   1.618
  255    HA   THR  33           HA       THR  33  14.339  -1.550  -0.043
  256    HB   THR  33           HB       THR  33  13.370  -4.237   0.991
  257    HG1  THR  33           HG1      THR  33  14.411  -3.601  -1.561
  258   1HG2  THR  33          HG21      THR  33  12.188  -2.250  -0.882
  259   2HG2  THR  33          HG22      THR  33  11.391  -3.432   0.155
  260   3HG2  THR  33          HG23      THR  33  12.109  -3.942  -1.373
  261    H    ALA  34           HN       ALA  34  13.511  -2.955   3.127
  262    HA   ALA  34           HA       ALA  34  11.029  -1.607   3.526
  263   1HB   ALA  34          HB1       ALA  34  13.116  -2.967   5.164
  264   2HB   ALA  34          HB2       ALA  34  11.385  -3.291   5.064
  265   3HB   ALA  34          HB3       ALA  34  11.975  -1.941   6.034
  266    H    ARG  35           HN       ARG  35  14.383  -0.603   4.206
  267    HA   ARG  35           HA       ARG  35  13.768   1.803   5.651
  268   1HB   ARG  35          HB2       ARG  35  15.982   0.752   5.606
  269   2HB   ARG  35          HB1       ARG  35  16.096   1.007   3.866
  270   1HG   ARG  35          HG2       ARG  35  16.513   3.263   4.079
  271   2HG   ARG  35          HG1       ARG  35  15.572   3.405   5.564
  272   1HD   ARG  35          HD2       ARG  35  17.740   1.662   6.156
  273   2HD   ARG  35          HD1       ARG  35  18.418   3.057   5.293
  274    HE   ARG  35           HE       ARG  35  17.207   4.515   6.939
  275   1HH1  ARG  35          HH11      ARG  35  15.447   2.324   8.064
  276   2HH1  ARG  35          HH12      ARG  35  16.226   1.990   9.574
  277   1HH2  ARG  35          HH21      ARG  35  19.184   3.594   8.701
  278   2HH2  ARG  35          HH22      ARG  35  18.351   2.712   9.936
  279    H    LEU  36           HN       LEU  36  14.397   1.200   2.187
  280    HA   LEU  36           HA       LEU  36  14.056   3.913   1.294
  281   1HB   LEU  36          HB2       LEU  36  14.778   1.453   0.237
  282   2HB   LEU  36          HB1       LEU  36  13.233   1.768  -0.551
  283    HG   LEU  36           HG       LEU  36  15.066   2.688  -1.895
  284   1HD1  LEU  36          HD11      LEU  36  12.851   3.900  -1.703
  285   2HD1  LEU  36          HD12      LEU  36  14.210   4.917  -2.182
  286   3HD1  LEU  36          HD13      LEU  36  13.615   4.965  -0.523
  287   1HD2  LEU  36          HD21      LEU  36  16.573   4.363  -1.045
  288   2HD2  LEU  36          HD22      LEU  36  16.596   3.023   0.101
  289   3HD2  LEU  36          HD23      LEU  36  15.679   4.483   0.469
  290    H    CYS  37           HN       CYS  37  11.779   1.213   1.718
  291    HA   CYS  37           HA       CYS  37   9.473   2.393   0.506
  292   1HB   CYS  37          HB2       CYS  37  10.165   0.193   2.360
  293   2HB   CYS  37          HB1       CYS  37   8.521   0.799   2.517
  294    H    CYS  38           HN       CYS  38  10.896   2.764   3.733
  295    HA   CYS  38           HA       CYS  38   8.586   4.228   4.807
  296   1HB   CYS  38          HB2       CYS  38   9.934   2.816   6.246
  297   2HB   CYS  38          HB1       CYS  38  11.409   3.644   5.757
  298    H    PHE  39           HN       PHE  39  11.815   4.967   3.541
  299    HA   PHE  39           HA       PHE  39  11.827   7.773   4.189
  300   1HB   PHE  39          HB2       PHE  39  13.908   6.762   3.778
  301   2HB   PHE  39          HB1       PHE  39  13.320   5.911   2.353
  302    HD1  PHE  39           HD1      PHE  39  13.939   9.378   3.640
  303    HD2  PHE  39           HD2      PHE  39  13.735   6.787   0.221
  304    HE1  PHE  39           HE1      PHE  39  14.765  11.218   2.197
  305    HE2  PHE  39           HE2      PHE  39  14.561   8.626  -1.222
  306    HZ   PHE  39           HZ       PHE  39  15.075  10.842  -0.234
  307    H    ARG  40           HN       ARG  40  10.785   5.966   1.298
  308    HA   ARG  40           HA       ARG  40  10.045   8.524  -0.027
  309   1HB   ARG  40          HB2       ARG  40  10.807   5.792  -0.808
  310   2HB   ARG  40          HB1       ARG  40   9.493   6.462  -1.770
  311   1HG   ARG  40          HG2       ARG  40  12.121   7.880  -1.246
  312   2HG   ARG  40          HG1       ARG  40  11.745   6.986  -2.719
  313   1HD   ARG  40          HD2       ARG  40   9.598   8.549  -2.748
  314   2HD   ARG  40          HD1       ARG  40  10.628   9.602  -1.759
  315    HE   ARG  40           HE       ARG  40  12.362   8.999  -3.725
  316   1HH1  ARG  40          HH21      ARG  40   9.879   8.087  -5.303
  317   2HH1  ARG  40          HH22      ARG  40   9.563   9.502  -6.250
  318   1HH2  ARG  40          HH11      ARG  40  11.588  11.565  -4.318
  319   2HH2  ARG  40          HH12      ARG  40  10.535  11.479  -5.690
  320    H    TYR  41           HN       TYR  41   8.475   5.304   0.371
  321    HA   TYR  41           HA       TYR  41   5.842   6.424  -0.155
  322   1HB   TYR  41          HB2       TYR  41   6.934   3.765   0.744
  323   2HB   TYR  41          HB1       TYR  41   5.202   4.048   0.601
  324    HD1  TYR  41           HD1      TYR  41   4.157   4.458  -1.577
  325    HD2  TYR  41           HD2      TYR  41   8.371   3.705  -1.221
  326    HE1  TYR  41           HE1      TYR  41   4.291   4.062  -4.022
  327    HE2  TYR  41           HE2      TYR  41   8.508   3.316  -3.667
  328    HH   TYR  41           HH       TYR  41   5.599   3.440  -5.725
  329    H    GLY  42           HN       GLY  42   7.566   5.373   2.774
  330   1HA   GLY  42          HA2       GLY  42   7.182   6.471   4.907
  331   2HA   GLY  42          HA1       GLY  42   5.552   6.864   4.378
  332    H    ASP  43           HN       ASP  43   6.427   3.638   3.604
  333    HA   ASP  43           HA       ASP  43   4.795   2.653   5.911
  334   1HB   ASP  43          HB2       ASP  43   5.426   1.241   3.310
  335   2HB   ASP  43          HB1       ASP  43   4.152   0.853   4.453
  336    H    CYS  44           HN       CYS  44   5.468   0.605   6.879
  337    HA   CYS  44           HA       CYS  44   7.054  -0.857   7.839
  338   1HB   CYS  44          HB2       CYS  44   8.725  -0.203   5.400
  339   2HB   CYS  44          HB1       CYS  44   8.783  -1.668   6.364
  340    H    CYS  45           HN       CYS  45   7.057   1.868   8.638
  341    HA   CYS  45           HA       CYS  45   9.858   2.792   8.746
  342   1HB   CYS  45          HB2       CYS  45   7.171   3.796   9.709
  343   2HB   CYS  45          HB1       CYS  45   8.671   4.625  10.113
  344    H    HIS  46           HN       HIS  46   7.322   2.210  11.211
  345    HA   HIS  46           HA       HIS  46   9.398   1.748  13.266
  346   1HB   HIS  46          HB2       HIS  46   6.410   2.129  13.173
  347   2HB   HIS  46          HB1       HIS  46   7.174   1.516  14.639
  348    HD1  HIS  46           HD1      HIS  46   6.646   4.609  12.681
  349    HD2  HIS  46           HD2      HIS  46   9.112   3.368  15.805
  350    HE1  HIS  46           HE1      HIS  46   7.640   6.709  13.687
  351    H    LEU  47           HN       LEU  47  10.114  -0.299  12.109
  352    HA   LEU  47           HA       LEU  47   8.265  -2.612  12.484
  353   1HB   LEU  47          HB2       LEU  47   9.416  -2.071  10.286
  354   2HB   LEU  47          HB1       LEU  47  10.946  -2.449  11.076
  355    HG   LEU  47           HG       LEU  47   9.749  -4.690  11.732
  356   1HD1  LEU  47          HD11      LEU  47   8.131  -3.743   9.347
  357   2HD1  LEU  47          HD12      LEU  47   7.516  -4.079  10.965
  358   3HD1  LEU  47          HD13      LEU  47   8.128  -5.395   9.963
  359   1HD2  LEU  47          HD21      LEU  47  11.687  -4.537  10.226
  360   2HD2  LEU  47          HD22      LEU  47  10.631  -4.076   8.891
  361   3HD2  LEU  47          HD23      LEU  47  10.516  -5.692   9.589
  Start of MODEL   16
    1   1H    HIS   1           HT1      HIS   1 -27.858  -0.650  -0.977
    2   2H    HIS   1           HT2      HIS   1 -26.952   0.061   0.271
    3   3H    HIS   1           HT3      HIS   1 -27.114  -1.629   0.192
    4    HA   HIS   1           HA       HIS   1 -25.565   0.135  -1.636
    5   1HB   HIS   1          HB2       HIS   1 -24.984  -2.142   0.283
    6   2HB   HIS   1          HB1       HIS   1 -23.790  -1.526  -0.857
    7    HD1  HIS   1           HD1      HIS   1 -23.082   1.036  -0.552
    8    HD2  HIS   1           HD2      HIS   1 -25.330  -0.568   2.572
    9    HE1  HIS   1           HE1      HIS   1 -22.832   2.628   1.402
   10    H    SER   2           HN       SER   2 -25.046  -0.720  -3.665
   11    HA   SER   2           HA       SER   2 -26.290  -3.357  -4.371
   12   1HB   SER   2          HB2       SER   2 -27.026  -1.019  -5.342
   13   2HB   SER   2          HB1       SER   2 -25.582  -1.192  -6.336
   14    HG   SER   2           HG       SER   2 -27.387  -2.104  -7.366
   15    H    SER   3           HN       SER   3 -24.923  -4.921  -5.171
   16    HA   SER   3           HA       SER   3 -22.930  -5.983  -5.844
   17   1HB   SER   3          HB2       SER   3 -23.524  -4.002  -7.592
   18   2HB   SER   3          HB1       SER   3 -21.944  -3.443  -7.051
   19    HG   SER   3           HG       SER   3 -21.898  -4.914  -8.863
   20    H    GLY   4           HN       GLY   4 -22.376  -5.861  -3.443
   21   1HA   GLY   4          HA2       GLY   4 -20.463  -3.816  -2.603
   22   2HA   GLY   4          HA1       GLY   4 -20.970  -5.211  -1.653
   23    H    TYR   5           HN       TYR   5 -18.967  -4.334  -4.475
   24    HA   TYR   5           HA       TYR   5 -17.515  -6.862  -4.494
   25   1HB   TYR   5          HB2       TYR   5 -17.793  -4.478  -6.068
   26   2HB   TYR   5          HB1       TYR   5 -16.076  -4.745  -5.772
   27    HD1  TYR   5           HD1      TYR   5 -19.091  -6.006  -7.412
   28    HD2  TYR   5           HD2      TYR   5 -14.991  -6.869  -6.463
   29    HE1  TYR   5           HE1      TYR   5 -19.081  -7.819  -9.102
   30    HE2  TYR   5           HE2      TYR   5 -14.982  -8.683  -8.154
   31    HH   TYR   5           HH       TYR   5 -17.256 -10.197  -9.234
   32    H    THR   6           HN       THR   6 -15.364  -7.217  -3.770
   33    HA   THR   6           HA       THR   6 -14.522  -5.490  -1.512
   34    HB   THR   6           HB       THR   6 -14.687  -7.912  -1.188
   35    HG1  THR   6           HG1      THR   6 -12.866  -8.005  -0.112
   36   1HG2  THR   6          HG21      THR   6 -14.160  -9.331  -2.849
   37   2HG2  THR   6          HG22      THR   6 -12.464  -8.877  -2.684
   38   3HG2  THR   6          HG23      THR   6 -13.507  -7.999  -3.803
   39    H    ARG   7           HN       ARG   7 -13.680  -3.668  -2.707
   40    HA   ARG   7           HA       ARG   7 -10.916  -4.045  -3.642
   41   1HB   ARG   7          HB2       ARG   7 -12.552  -4.530  -5.554
   42   2HB   ARG   7          HB1       ARG   7 -12.981  -2.822  -5.484
   43   1HG   ARG   7          HG2       ARG   7 -11.290  -2.833  -7.101
   44   2HG   ARG   7          HG1       ARG   7 -10.397  -2.428  -5.636
   45   1HD   ARG   7          HD2       ARG   7  -9.635  -4.713  -5.379
   46   2HD   ARG   7          HD1       ARG   7 -10.696  -5.262  -6.692
   47    HE   ARG   7           HE       ARG   7  -9.350  -3.638  -8.167
   48   1HH1  ARG   7          HH11      ARG   7  -7.609  -2.655  -5.904
   49   2HH1  ARG   7          HH12      ARG   7  -6.175  -3.601  -6.126
   50   1HH2  ARG   7          HH21      ARG   7  -7.719  -5.927  -8.199
   51   2HH2  ARG   7          HH22      ARG   7  -6.238  -5.463  -7.431
   52    HA   PRO   8           HA       PRO   8 -10.980  -0.020  -1.722
   53   1HB   PRO   8          HB2       PRO   8  -8.312   0.515  -1.993
   54   2HB   PRO   8          HB1       PRO   8  -8.953  -0.595  -0.766
   55   1HG   PRO   8          HG2       PRO   8  -7.631  -1.195  -3.354
   56   2HG   PRO   8          HG1       PRO   8  -7.543  -2.058  -1.812
   57   1HD   PRO   8          HD2       PRO   8  -9.067  -2.852  -3.963
   58   2HD   PRO   8          HD1       PRO   8  -9.376  -3.323  -2.279
   59    H    LEU   9           HN       LEU   9 -11.365   1.988  -2.628
   60    HA   LEU   9           HA       LEU   9 -10.967   2.341  -5.526
   61   1HB   LEU   9          HB2       LEU   9 -12.228   4.033  -3.342
   62   2HB   LEU   9          HB1       LEU   9 -12.286   4.426  -5.060
   63    HG   LEU   9           HG       LEU   9 -13.214   1.726  -4.103
   64   1HD1  LEU   9          HD11      LEU   9 -14.342   3.612  -2.793
   65   2HD1  LEU   9          HD12      LEU   9 -15.418   2.544  -3.694
   66   3HD1  LEU   9          HD13      LEU   9 -15.021   4.140  -4.333
   67   1HD2  LEU   9          HD21      LEU   9 -14.476   1.754  -6.142
   68   2HD2  LEU   9          HD22      LEU   9 -12.869   2.350  -6.557
   69   3HD2  LEU   9          HD23      LEU   9 -14.207   3.483  -6.362
   70    H    ARG  10           HN       ARG  10  -9.773   4.144  -6.425
   71    HA   ARG  10           HA       ARG  10  -7.235   4.691  -5.267
   72   1HB   ARG  10          HB2       ARG  10  -7.148   6.447  -7.067
   73   2HB   ARG  10          HB1       ARG  10  -7.682   4.873  -7.652
   74   1HG   ARG  10          HG2       ARG  10  -9.887   5.570  -7.930
   75   2HG   ARG  10          HG1       ARG  10  -9.742   6.853  -6.729
   76   1HD   ARG  10          HD2       ARG  10  -7.993   7.858  -8.442
   77   2HD   ARG  10          HD1       ARG  10  -8.879   6.853  -9.607
   78    HE   ARG  10           HE       ARG  10  -9.963   9.179  -8.175
   79   1HH1  ARG  10          HH11      ARG  10 -10.601   8.707 -11.016
   80   2HH1  ARG  10          HH12      ARG  10 -12.203   8.052 -10.955
   81   1HH2  ARG  10          HH21      ARG  10 -12.032   7.260  -7.573
   82   2HH2  ARG  10          HH22      ARG  10 -13.017   7.230  -8.997
   83    H    LYS  11           HN       LYS  11  -6.481   6.345  -3.967
   84    HA   LYS  11           HA       LYS  11  -6.583   8.046  -2.333
   85   1HB   LYS  11          HB2       LYS  11  -6.860   9.180  -4.602
   86   2HB   LYS  11          HB1       LYS  11  -8.593   9.219  -4.276
   87   1HG   LYS  11          HG2       LYS  11  -7.291  10.194  -1.943
   88   2HG   LYS  11          HG1       LYS  11  -6.552  11.008  -3.322
   89   1HD   LYS  11          HD2       LYS  11  -8.581  11.949  -4.021
   90   2HD   LYS  11          HD1       LYS  11  -9.545  10.752  -3.156
   91   1HE   LYS  11          HE2       LYS  11  -9.050  11.754  -1.027
   92   2HE   LYS  11          HE1       LYS  11  -7.801  12.795  -1.740
   93   1HZ   LYS  11          HZ1       LYS  11 -10.058  13.853  -1.427
   94   2HZ   LYS  11          HZ2       LYS  11 -10.623  12.828  -2.658
   95   3HZ   LYS  11          HZ3       LYS  11  -9.403  13.966  -2.988
   96    HA   PRO  12           HA       PRO  12 -10.698   6.552  -0.758
   97   1HB   PRO  12          HB2       PRO  12  -9.759   5.010   1.296
   98   2HB   PRO  12          HB1       PRO  12  -9.991   4.391  -0.350
   99   1HG   PRO  12          HG2       PRO  12  -7.499   5.146   1.050
  100   2HG   PRO  12          HG1       PRO  12  -7.774   3.916  -0.190
  101   1HD   PRO  12          HD2       PRO  12  -6.639   6.423  -0.607
  102   2HD   PRO  12          HD1       PRO  12  -7.292   5.356  -1.866
  103    H    SER  13           HN       SER  13 -11.097   6.462   1.932
  104    HA   SER  13           HA       SER  13  -9.986   9.053   2.943
  105   1HB   SER  13          HB2       SER  13 -12.702   7.735   3.188
  106   2HB   SER  13          HB1       SER  13 -12.233   9.140   4.139
  107    HG   SER  13           HG       SER  13 -13.348   9.434   1.994
  108    H    ARG  14           HN       ARG  14  -8.400   6.995   3.594
  109    HA   ARG  14           HA       ARG  14  -9.283   5.706   6.099
  110   1HB   ARG  14          HB2       ARG  14  -6.714   5.630   4.482
  111   2HB   ARG  14          HB1       ARG  14  -7.046   4.605   5.877
  112   1HG   ARG  14          HG2       ARG  14  -9.224   4.531   3.934
  113   2HG   ARG  14          HG1       ARG  14  -7.691   4.026   3.223
  114   1HD   ARG  14          HD2       ARG  14  -8.846   2.907   5.807
  115   2HD   ARG  14          HD1       ARG  14  -8.904   2.096   4.231
  116    HE   ARG  14           HE       ARG  14  -6.607   2.154   5.943
  117   1HH1  ARG  14          HH11      ARG  14  -7.213   0.475   3.393
  118   2HH1  ARG  14          HH12      ARG  14  -5.848   0.904   2.417
  119   1HH2  ARG  14          HH21      ARG  14  -4.979   3.645   4.371
  120   2HH2  ARG  14          HH22      ARG  14  -4.583   2.710   2.969
  121    HA   PRO  15           HA       PRO  15  -7.463   9.159   8.335
  122   1HB   PRO  15          HB2       PRO  15  -8.230   8.318  10.819
  123   2HB   PRO  15          HB1       PRO  15  -9.336   9.122   9.688
  124   1HG   PRO  15          HG2       PRO  15  -9.077   6.239  10.354
  125   2HG   PRO  15          HG1       PRO  15 -10.525   7.191   9.993
  126   1HD   PRO  15          HD2       PRO  15  -9.303   5.504   8.208
  127   2HD   PRO  15          HD1       PRO  15 -10.316   6.887   7.745
  128    H    ILE  16           HN       ILE  16  -5.952   9.250  10.321
  129    HA   ILE  16           HA       ILE  16  -3.580   7.810   9.916
  130    HB   ILE  16           HB       ILE  16  -3.009   8.556  12.228
  131   1HG1  ILE  16          HG12      ILE  16  -5.973   9.198  12.318
  132   2HG1  ILE  16          HG11      ILE  16  -5.092   8.101  13.377
  133   1HG2  ILE  16          HG21      ILE  16  -4.618  10.760  10.957
  134   2HG2  ILE  16          HG22      ILE  16  -3.213  10.097  10.122
  135   3HG2  ILE  16          HG23      ILE  16  -3.025  10.840  11.710
  136   1HD1  ILE  16          HD11      ILE  16  -5.344  10.109  14.632
  137   2HD1  ILE  16          HD12      ILE  16  -4.900  11.115  13.254
  138   3HD1  ILE  16          HD13      ILE  16  -3.677  10.128  14.056
  139    H    PHE  17           HN       PHE  17  -2.877   5.782  10.454
  140    HA   PHE  17           HA       PHE  17  -4.300   4.202  12.528
  141   1HB   PHE  17          HB2       PHE  17  -5.101   4.059   9.950
  142   2HB   PHE  17          HB1       PHE  17  -3.798   2.872   9.908
  143    HD1  PHE  17           HD1      PHE  17  -6.612   3.858  12.203
  144    HD2  PHE  17           HD2      PHE  17  -4.387   0.673  10.371
  145    HE1  PHE  17           HE1      PHE  17  -8.087   2.195  13.302
  146    HE2  PHE  17           HE2      PHE  17  -5.861  -0.990  11.471
  147    HZ   PHE  17           HZ       PHE  17  -7.711  -0.229  12.936
  148    H    ILE  18           HN       ILE  18  -3.134   1.948  12.659
  149    HA   ILE  18           HA       ILE  18  -0.335   2.405  13.211
  150    HB   ILE  18           HB       ILE  18  -0.365   0.029  13.824
  151   1HG1  ILE  18          HG12      ILE  18  -3.101  -0.045  12.507
  152   2HG1  ILE  18          HG11      ILE  18  -1.640  -0.761  11.830
  153   1HG2  ILE  18          HG21      ILE  18  -3.093   1.074  14.570
  154   2HG2  ILE  18          HG22      ILE  18  -1.633   1.858  15.173
  155   3HG2  ILE  18          HG23      ILE  18  -1.948   0.166  15.558
  156   1HD1  ILE  18          HD11      ILE  18  -2.565  -2.597  12.923
  157   2HD1  ILE  18          HD12      ILE  18  -3.233  -1.614  14.226
  158   3HD1  ILE  18          HD13      ILE  18  -1.504  -1.959  14.180
  159    H    ARG  19           HN       ARG  19   1.323   0.747  12.285
  160    HA   ARG  19           HA       ARG  19   1.876   1.268   9.590
  161   1HB   ARG  19          HB2       ARG  19   3.590   0.512  11.003
  162   2HB   ARG  19          HB1       ARG  19   2.651  -0.864  11.563
  163   1HG   ARG  19          HG2       ARG  19   2.868  -1.298   8.813
  164   2HG   ARG  19          HG1       ARG  19   4.444  -0.658   9.268
  165   1HD   ARG  19          HD2       ARG  19   4.778  -2.917   9.742
  166   2HD   ARG  19          HD1       ARG  19   4.164  -2.361  11.310
  167    HE   ARG  19           HE       ARG  19   2.311  -3.450   9.221
  168   1HH1  ARG  19          HH11      ARG  19   1.043  -2.437  11.663
  169   2HH1  ARG  19          HH12      ARG  19   0.950  -3.836  12.678
  170   1HH2  ARG  19          HH21      ARG  19   3.295  -5.637  10.847
  171   2HH2  ARG  19          HH22      ARG  19   2.229  -5.660  12.212
  172    HA   PRO  20           HA       PRO  20  -1.294  -1.333   7.756
  173   1HB   PRO  20          HB2       PRO  20  -0.910  -0.375   5.219
  174   2HB   PRO  20          HB1       PRO  20  -1.859   0.485   6.450
  175   1HG   PRO  20          HG2       PRO  20   0.923   0.968   5.526
  176   2HG   PRO  20          HG1       PRO  20  -0.324   2.124   6.009
  177   1HD   PRO  20          HD2       PRO  20   1.765   1.365   7.615
  178   2HD   PRO  20          HD1       PRO  20   0.213   1.969   8.219
  179    H    ILE  21           HN       ILE  21  -1.229  -2.859   5.814
  180    HA   ILE  21           HA       ILE  21   1.208  -4.467   5.898
  181    HB   ILE  21           HB       ILE  21  -1.605  -4.626   4.930
  182   1HG1  ILE  21          HG12      ILE  21  -0.760  -5.465   7.141
  183   2HG1  ILE  21          HG11      ILE  21  -1.560  -6.691   6.165
  184   1HG2  ILE  21          HG21      ILE  21   0.558  -6.451   3.835
  185   2HG2  ILE  21          HG22      ILE  21  -0.394  -5.302   2.894
  186   3HG2  ILE  21          HG23      ILE  21  -1.178  -6.691   3.646
  187   1HD1  ILE  21          HD11      ILE  21   0.438  -7.788   5.657
  188   2HD1  ILE  21          HD12      ILE  21   0.746  -7.243   7.305
  189   3HD1  ILE  21          HD13      ILE  21   1.415  -6.348   5.941
  190    H    GLY  22           HN       GLY  22   2.135  -5.298   3.798
  191   1HA   GLY  22          HA2       GLY  22   2.557  -4.947   1.402
  192   2HA   GLY  22          HA1       GLY  22   2.110  -3.258   1.623
  193    H    CYS  23           HN       CYS  23   3.531  -2.334   3.620
  194    HA   CYS  23           HA       CYS  23   6.294  -2.314   2.655
  195   1HB   CYS  23          HB2       CYS  23   4.677  -0.992   4.823
  196   2HB   CYS  23          HB1       CYS  23   6.416  -0.772   4.765
  197    H    ASP  24           HN       ASP  24   4.538  -4.173   4.955
  198    HA   ASP  24           HA       ASP  24   6.735  -4.671   6.810
  199   1HB   ASP  24          HB2       ASP  24   4.203  -6.275   6.383
  200   2HB   ASP  24          HB1       ASP  24   5.134  -6.119   7.864
  201    H    VAL  25           HN       VAL  25   6.266  -5.730   3.646
  202    HA   VAL  25           HA       VAL  25   7.965  -8.112   4.127
  203    HB   VAL  25           HB       VAL  25   5.463  -8.129   2.403
  204   1HG1  VAL  25          HG11      VAL  25   5.948 -10.323   1.965
  205   2HG1  VAL  25          HG12      VAL  25   6.641 -10.596   3.564
  206   3HG1  VAL  25          HG13      VAL  25   7.595  -9.800   2.314
  207   1HG2  VAL  25          HG21      VAL  25   5.869  -8.988   5.285
  208   2HG2  VAL  25          HG22      VAL  25   4.525  -9.561   4.298
  209   3HG2  VAL  25          HG23      VAL  25   4.681  -7.843   4.663
  210    H    CYS  26           HN       CYS  26   9.412  -6.333   3.232
  211    HA   CYS  26           HA       CYS  26   9.325  -5.167   0.700
  212   1HB   CYS  26          HB2       CYS  26  11.514  -6.289   2.439
  213   2HB   CYS  26          HB1       CYS  26  11.913  -5.559   0.890
  214    H    TYR  27           HN       TYR  27   9.858  -8.550   1.483
  215    HA   TYR  27           HA       TYR  27  10.579  -9.125  -1.359
  216   1HB   TYR  27          HB2       TYR  27  10.706 -11.035   0.977
  217   2HB   TYR  27          HB1       TYR  27  11.630 -11.082  -0.519
  218    HD1  TYR  27           HD1      TYR  27  11.552  -9.932   2.885
  219    HD2  TYR  27           HD2      TYR  27  13.316  -9.182  -0.961
  220    HE1  TYR  27           HE1      TYR  27  13.361  -8.630   3.969
  221    HE2  TYR  27           HE2      TYR  27  15.125  -7.880   0.125
  222    HH   TYR  27           HH       TYR  27  15.244  -6.521   2.484
  223    H    GLY  28           HN       GLY  28   9.010 -10.027  -2.620
  224   1HA   GLY  28          HA2       GLY  28   7.366 -11.862  -2.896
  225   2HA   GLY  28          HA1       GLY  28   6.784 -11.500  -1.274
  226    H    ILE  29           HN       ILE  29   6.965  -8.532  -1.829
  227    HA   ILE  29           HA       ILE  29   4.287  -8.264  -2.975
  228    HB   ILE  29           HB       ILE  29   4.571  -5.904  -2.361
  229   1HG1  ILE  29          HG12      ILE  29   7.440  -6.637  -1.689
  230   2HG1  ILE  29          HG11      ILE  29   6.951  -5.724  -3.117
  231   1HG2  ILE  29          HG21      ILE  29   5.120  -6.217   0.058
  232   2HG2  ILE  29          HG22      ILE  29   5.677  -7.847  -0.316
  233   3HG2  ILE  29          HG23      ILE  29   3.985  -7.416  -0.559
  234   1HD1  ILE  29          HD11      ILE  29   6.748  -3.818  -1.931
  235   2HD1  ILE  29          HD12      ILE  29   7.541  -4.660  -0.601
  236   3HD1  ILE  29          HD13      ILE  29   5.781  -4.615  -0.691
  237    HA   PRO  30           HA       PRO  30   5.392  -7.204  -7.069
  238   1HB   PRO  30          HB2       PRO  30   3.522  -5.289  -7.667
  239   2HB   PRO  30          HB1       PRO  30   3.157  -7.023  -7.557
  240   1HG   PRO  30          HG2       PRO  30   2.605  -4.849  -5.634
  241   2HG   PRO  30          HG1       PRO  30   1.695  -6.324  -5.961
  242   1HD   PRO  30          HD2       PRO  30   3.358  -5.934  -3.782
  243   2HD   PRO  30          HD1       PRO  30   2.842  -7.513  -4.402
  244    H    SER  31           HN       SER  31   6.410  -5.581  -8.386
  245    HA   SER  31           HA       SER  31   8.179  -3.795  -7.079
  246   1HB   SER  31          HB2       SER  31   8.189  -4.819  -9.447
  247   2HB   SER  31          HB1       SER  31   7.150  -3.472  -9.902
  248    HG   SER  31           HG       SER  31   9.835  -3.504  -9.129
  249    H    SER  32           HN       SER  32   5.007  -3.147  -8.596
  250    HA   SER  32           HA       SER  32   5.039  -0.303  -8.378
  251   1HB   SER  32          HB2       SER  32   3.420  -1.840  -9.618
  252   2HB   SER  32          HB1       SER  32   2.648  -2.144  -8.065
  253    HG   SER  32           HG       SER  32   2.936   0.328  -9.433
  254    H    THR  33           HN       THR  33   3.793  -2.769  -6.101
  255    HA   THR  33           HA       THR  33   3.027  -0.867  -4.056
  256    HB   THR  33           HB       THR  33   3.775  -3.809  -3.940
  257    HG1  THR  33           HG1      THR  33   1.511  -4.066  -4.084
  258   1HG2  THR  33          HG21      THR  33   2.799  -1.880  -1.913
  259   2HG2  THR  33          HG22      THR  33   3.705  -3.378  -1.699
  260   3HG2  THR  33          HG23      THR  33   1.960  -3.431  -1.954
  261    H    ALA  34           HN       ALA  34   5.950  -2.798  -4.682
  262    HA   ALA  34           HA       ALA  34   7.404  -2.105  -2.320
  263   1HB   ALA  34          HB1       ALA  34   8.312  -2.801  -5.134
  264   2HB   ALA  34          HB2       ALA  34   7.974  -3.953  -3.842
  265   3HB   ALA  34          HB3       ALA  34   9.343  -2.850  -3.704
  266    H    ARG  35           HN       ARG  35   7.132  -0.500  -5.499
  267    HA   ARG  35           HA       ARG  35   9.149   1.503  -5.043
  268   1HB   ARG  35          HB2       ARG  35   8.077   0.847  -7.238
  269   2HB   ARG  35          HB1       ARG  35   6.616   1.683  -6.711
  270   1HG   ARG  35          HG2       ARG  35   8.237   3.704  -6.305
  271   2HG   ARG  35          HG1       ARG  35   9.310   2.833  -7.401
  272   1HD   ARG  35          HD2       ARG  35   8.135   3.652  -9.155
  273   2HD   ARG  35          HD1       ARG  35   6.695   2.801  -8.564
  274    HE   ARG  35           HE       ARG  35   6.780   4.982  -6.906
  275   1HH1  ARG  35          HH21      ARG  35   8.356   6.406  -9.035
  276   2HH1  ARG  35          HH22      ARG  35   7.103   7.151  -9.971
  277   1HH2  ARG  35          HH11      ARG  35   4.577   5.156  -8.658
  278   2HH2  ARG  35          HH12      ARG  35   4.955   6.440  -9.756
  279    H    LEU  36           HN       LEU  36   5.629   1.444  -4.473
  280    HA   LEU  36           HA       LEU  36   5.416   4.141  -3.471
  281   1HB   LEU  36          HB2       LEU  36   3.668   2.314  -4.278
  282   2HB   LEU  36          HB1       LEU  36   3.642   1.894  -2.565
  283    HG   LEU  36           HG       LEU  36   3.402   4.781  -3.331
  284   1HD1  LEU  36          HD11      LEU  36   1.774   3.809  -4.808
  285   2HD1  LEU  36          HD12      LEU  36   0.891   4.419  -3.409
  286   3HD1  LEU  36          HD13      LEU  36   1.220   2.693  -3.561
  287   1HD2  LEU  36          HD21      LEU  36   2.580   2.963  -1.080
  288   2HD2  LEU  36          HD22      LEU  36   1.714   4.479  -1.330
  289   3HD2  LEU  36          HD23      LEU  36   3.448   4.496  -1.010
  290    H    CYS  37           HN       CYS  37   5.977   0.987  -1.901
  291    HA   CYS  37           HA       CYS  37   5.852   1.890   0.819
  292   1HB   CYS  37          HB2       CYS  37   6.766  -0.455  -0.730
  293   2HB   CYS  37          HB1       CYS  37   7.606  -0.222   0.799
  294    H    CYS  38           HN       CYS  38   8.402   2.012  -1.618
  295    HA   CYS  38           HA       CYS  38  10.469   2.799   0.338
  296   1HB   CYS  38          HB2       CYS  38  11.074   1.370  -1.523
  297   2HB   CYS  38          HB1       CYS  38  10.348   2.483  -2.678
  298    H    PHE  39           HN       PHE  39   8.484   4.249  -2.218
  299    HA   PHE  39           HA       PHE  39   9.713   6.862  -2.159
  300   1HB   PHE  39          HB2       PHE  39   8.563   6.282  -4.121
  301   2HB   PHE  39          HB1       PHE  39   7.197   5.610  -3.236
  302    HD1  PHE  39           HD1      PHE  39   5.302   6.934  -2.729
  303    HD2  PHE  39           HD2      PHE  39   8.936   8.818  -4.036
  304    HE1  PHE  39           HE1      PHE  39   4.113   9.102  -2.908
  305    HE2  PHE  39           HE2      PHE  39   7.746  10.986  -4.215
  306    HZ   PHE  39           HZ       PHE  39   5.335  11.128  -3.651
  307    H    ARG  40           HN       ARG  40   6.843   5.481  -0.541
  308    HA   ARG  40           HA       ARG  40   6.359   8.087   0.807
  309   1HB   ARG  40          HB2       ARG  40   4.837   5.662   0.083
  310   2HB   ARG  40          HB1       ARG  40   4.399   6.367   1.636
  311   1HG   ARG  40          HG2       ARG  40   4.742   8.456  -0.334
  312   2HG   ARG  40          HG1       ARG  40   3.595   7.252  -0.920
  313   1HD   ARG  40          HD2       ARG  40   2.090   8.444   0.340
  314   2HD   ARG  40          HD1       ARG  40   2.783   7.530   1.692
  315    HE   ARG  40           HE       ARG  40   3.874  10.195   0.850
  316   1HH1  ARG  40          HH21      ARG  40   5.502   8.785   2.839
  317   2HH1  ARG  40          HH22      ARG  40   4.854   9.327   4.350
  318   1HH2  ARG  40          HH11      ARG  40   1.899  10.515   2.953
  319   2HH2  ARG  40          HH12      ARG  40   2.806  10.314   4.415
  320    H    TYR  41           HN       TYR  41   6.678   4.635   1.789
  321    HA   TYR  41           HA       TYR  41   6.991   5.407   4.599
  322   1HB   TYR  41          HB2       TYR  41   7.127   2.807   3.066
  323   2HB   TYR  41          HB1       TYR  41   7.319   2.899   4.813
  324    HD1  TYR  41           HD1      TYR  41   5.438   3.252   6.259
  325    HD2  TYR  41           HD2      TYR  41   4.987   3.509   1.994
  326    HE1  TYR  41           HE1      TYR  41   2.974   3.270   6.522
  327    HE2  TYR  41           HE2      TYR  41   2.521   3.533   2.256
  328    HH   TYR  41           HH       TYR  41   0.840   2.806   3.912
  329    H    GLY  42           HN       GLY  42   9.108   4.207   2.008
  330   1HA   GLY  42          HA2       GLY  42  11.440   4.865   1.894
  331   2HA   GLY  42          HA1       GLY  42  11.439   5.070   3.641
  332    H    ASP  43           HN       ASP  43   9.834   2.196   2.684
  333    HA   ASP  43           HA       ASP  43  12.244   0.602   3.453
  334   1HB   ASP  43          HB2       ASP  43   9.341  -0.249   3.490
  335   2HB   ASP  43          HB1       ASP  43  10.685  -0.995   4.335
  336    H    CYS  44           HN       CYS  44  12.508  -1.483   2.333
  337    HA   CYS  44           HA       CYS  44  12.661  -2.823   0.392
  338   1HB   CYS  44          HB2       CYS  44  10.112  -1.466  -0.499
  339   2HB   CYS  44          HB1       CYS  44  10.642  -3.099  -0.856
  340    H    CYS  45           HN       CYS  45  13.987  -0.273   0.446
  341    HA   CYS  45           HA       CYS  45  13.573   0.975  -2.199
  342   1HB   CYS  45          HB2       CYS  45  15.329   1.476   0.216
  343   2HB   CYS  45          HB1       CYS  45  15.488   2.418  -1.264
  344    H    HIS  46           HN       HIS  46  16.446  -0.273  -0.455
  345    HA   HIS  46           HA       HIS  46  17.765  -0.847  -3.046
  346   1HB   HIS  46          HB2       HIS  46  18.570  -0.712  -0.139
  347   2HB   HIS  46          HB1       HIS  46  19.653  -1.419  -1.338
  348    HD1  HIS  46           HD1      HIS  46  20.530   0.174  -3.245
  349    HD2  HIS  46           HD2      HIS  46  18.334   2.098  -0.269
  350    HE1  HIS  46           HE1      HIS  46  20.944   2.656  -3.540
  351    H    LEU  47           HN       LEU  47  15.875  -2.586  -3.189
  352    HA   LEU  47           HA       LEU  47  16.242  -5.031  -1.621
  353   1HB   LEU  47          HB2       LEU  47  14.218  -3.843  -3.055
  354   2HB   LEU  47          HB1       LEU  47  14.732  -5.119  -4.158
  355    HG   LEU  47           HG       LEU  47  14.650  -6.650  -2.050
  356   1HD1  LEU  47          HD11      LEU  47  12.490  -4.842  -1.094
  357   2HD1  LEU  47          HD12      LEU  47  14.143  -4.342  -0.739
  358   3HD1  LEU  47          HD13      LEU  47  13.555  -5.906  -0.176
  359   1HD2  LEU  47          HD21      LEU  47  12.093  -5.543  -3.256
  360   2HD2  LEU  47          HD22      LEU  47  12.272  -7.114  -2.474
  361   3HD2  LEU  47          HD23      LEU  47  13.106  -6.785  -3.992
  Start of MODEL   17
    1   1H    HIS   1           HT1      HIS   1 -16.382  -9.913 -12.732
    2   2H    HIS   1           HT2      HIS   1 -17.853 -10.116 -11.905
    3   3H    HIS   1           HT3      HIS   1 -16.959  -8.683 -11.717
    4    HA   HIS   1           HA       HIS   1 -17.308  -8.180 -14.106
    5   1HB   HIS   1          HB2       HIS   1 -18.821 -10.778 -13.770
    6   2HB   HIS   1          HB1       HIS   1 -19.190  -9.668 -15.089
    7    HD1  HIS   1           HD1      HIS   1 -17.095  -9.066 -16.704
    8    HD2  HIS   1           HD2      HIS   1 -16.595 -12.384 -14.228
    9    HE1  HIS   1           HE1      HIS   1 -15.140 -10.373 -17.643
   10    H    SER   2           HN       SER   2 -19.237  -6.933 -14.700
   11    HA   SER   2           HA       SER   2 -21.113  -5.586 -14.233
   12   1HB   SER   2          HB2       SER   2 -21.732  -7.899 -12.366
   13   2HB   SER   2          HB1       SER   2 -22.885  -6.690 -12.918
   14    HG   SER   2           HG       SER   2 -23.106  -7.825 -14.661
   15    H    SER   3           HN       SER   3 -22.260  -4.452 -12.312
   16    HA   SER   3           HA       SER   3 -20.661  -4.281  -9.830
   17   1HB   SER   3          HB2       SER   3 -20.328  -1.800 -10.247
   18   2HB   SER   3          HB1       SER   3 -19.411  -2.851 -11.322
   19    HG   SER   3           HG       SER   3 -20.502  -1.194 -12.464
   20    H    GLY   4           HN       GLY   4 -21.801  -3.121  -8.150
   21   1HA   GLY   4          HA2       GLY   4 -24.128  -1.576  -8.415
   22   2HA   GLY   4          HA1       GLY   4 -24.673  -3.251  -8.325
   23    H    TYR   5           HN       TYR   5 -25.498  -3.398  -6.274
   24    HA   TYR   5           HA       TYR   5 -25.567  -3.432  -3.920
   25   1HB   TYR   5          HB2       TYR   5 -23.383  -4.743  -4.768
   26   2HB   TYR   5          HB1       TYR   5 -22.576  -3.457  -3.873
   27    HD1  TYR   5           HD1      TYR   5 -24.661  -6.450  -3.639
   28    HD2  TYR   5           HD2      TYR   5 -23.007  -3.147  -1.445
   29    HE1  TYR   5           HE1      TYR   5 -25.166  -7.612  -1.508
   30    HE2  TYR   5           HE2      TYR   5 -23.513  -4.309   0.686
   31    HH   TYR   5           HH       TYR   5 -23.923  -7.277   1.105
   32    H    THR   6           HN       THR   6 -26.264  -1.120  -4.040
   33    HA   THR   6           HA       THR   6 -24.236   0.951  -3.496
   34    HB   THR   6           HB       THR   6 -27.265   1.134  -3.431
   35    HG1  THR   6           HG1      THR   6 -25.486   1.356  -5.633
   36   1HG2  THR   6          HG21      THR   6 -26.864   3.465  -4.051
   37   2HG2  THR   6          HG22      THR   6 -25.127   3.170  -4.120
   38   3HG2  THR   6          HG23      THR   6 -25.976   3.081  -2.576
   39    H    ARG   7           HN       ARG   7 -23.504  -0.148  -1.437
   40    HA   ARG   7           HA       ARG   7 -25.015   0.925   0.868
   41   1HB   ARG   7          HB2       ARG   7 -25.138  -1.792  -0.036
   42   2HB   ARG   7          HB1       ARG   7 -24.292  -1.764   1.510
   43   1HG   ARG   7          HG2       ARG   7 -26.744  -0.088   1.299
   44   2HG   ARG   7          HG1       ARG   7 -26.978  -1.836   1.339
   45   1HD   ARG   7          HD2       ARG   7 -25.278  -1.718   3.368
   46   2HD   ARG   7          HD1       ARG   7 -25.836  -0.035   3.455
   47    HE   ARG   7           HE       ARG   7 -28.121  -0.858   3.761
   48   1HH1  ARG   7          HH11      ARG   7 -28.076  -3.446   2.380
   49   2HH1  ARG   7          HH12      ARG   7 -27.975  -4.591   3.675
   50   1HH2  ARG   7          HH21      ARG   7 -26.930  -2.244   6.017
   51   2HH2  ARG   7          HH22      ARG   7 -27.322  -3.908   5.741
   52    HA   PRO   8           HA       PRO   8 -20.370   1.026   1.199
   53   1HB   PRO   8          HB2       PRO   8 -20.153   3.731   1.540
   54   2HB   PRO   8          HB1       PRO   8 -20.165   2.956  -0.056
   55   1HG   PRO   8          HG2       PRO   8 -22.341   4.391   1.368
   56   2HG   PRO   8          HG1       PRO   8 -21.956   4.348  -0.359
   57   1HD   PRO   8          HD2       PRO   8 -23.979   2.904   0.820
   58   2HD   PRO   8          HD1       PRO   8 -23.194   2.466  -0.710
   59    H    LEU   9           HN       LEU   9 -19.533   0.705   3.236
   60    HA   LEU   9           HA       LEU   9 -21.157   1.240   5.602
   61   1HB   LEU   9          HB2       LEU   9 -19.272  -0.600   4.858
   62   2HB   LEU   9          HB1       LEU   9 -18.312   0.463   5.886
   63    HG   LEU   9           HG       LEU   9 -20.471   0.253   7.459
   64   1HD1  LEU   9          HD11      LEU   9 -20.364  -2.492   6.208
   65   2HD1  LEU   9          HD12      LEU   9 -21.493  -1.267   5.628
   66   3HD1  LEU   9          HD13      LEU   9 -21.581  -1.828   7.298
   67   1HD2  LEU   9          HD21      LEU   9 -18.311  -1.869   7.215
   68   2HD2  LEU   9          HD22      LEU   9 -19.281  -1.553   8.653
   69   3HD2  LEU   9          HD23      LEU   9 -18.146  -0.335   8.070
   70    H    ARG  10           HN       ARG  10 -21.298   3.527   5.836
   71    HA   ARG  10           HA       ARG  10 -18.994   5.287   5.722
   72   1HB   ARG  10          HB2       ARG  10 -21.841   5.482   6.732
   73   2HB   ARG  10          HB1       ARG  10 -20.724   6.841   6.845
   74   1HG   ARG  10          HG2       ARG  10 -20.672   5.642   4.190
   75   2HG   ARG  10          HG1       ARG  10 -22.296   6.169   4.629
   76   1HD   ARG  10          HD2       ARG  10 -21.572   8.225   3.922
   77   2HD   ARG  10          HD1       ARG  10 -20.761   8.293   5.499
   78    HE   ARG  10           HE       ARG  10 -19.400   7.110   3.106
   79   1HH1  ARG  10          HH11      ARG  10 -19.151  10.105   3.600
   80   2HH1  ARG  10          HH12      ARG  10 -17.665  10.181   4.485
   81   1HH2  ARG  10          HH21      ARG  10 -17.632   6.786   5.229
   82   2HH2  ARG  10          HH22      ARG  10 -16.800   8.294   5.410
   83    H    LYS  11           HN       LYS  11 -17.380   5.077   7.249
   84    HA   LYS  11           HA       LYS  11 -18.163   5.067  10.121
   85   1HB   LYS  11          HB2       LYS  11 -17.741   2.737   9.181
   86   2HB   LYS  11          HB1       LYS  11 -16.069   3.235   8.920
   87   1HG   LYS  11          HG2       LYS  11 -15.609   2.733  11.063
   88   2HG   LYS  11          HG1       LYS  11 -16.742   3.982  11.578
   89   1HD   LYS  11          HD2       LYS  11 -17.679   1.225  10.773
   90   2HD   LYS  11          HD1       LYS  11 -17.184   1.591  12.426
   91   1HE   LYS  11          HE2       LYS  11 -18.899   3.294  12.638
   92   2HE   LYS  11          HE1       LYS  11 -19.314   3.151  10.918
   93   1HZ   LYS  11          HZ1       LYS  11 -19.870   0.822  11.281
   94   2HZ   LYS  11          HZ2       LYS  11 -20.810   1.819  12.285
   95   3HZ   LYS  11          HZ3       LYS  11 -19.491   0.964  12.928
   96    HA   PRO  12           HA       PRO  12 -14.904   8.116   9.907
   97   1HB   PRO  12          HB2       PRO  12 -15.064   8.923  12.517
   98   2HB   PRO  12          HB1       PRO  12 -16.223   9.437  11.276
   99   1HG   PRO  12          HG2       PRO  12 -16.508   7.380  13.393
  100   2HG   PRO  12          HG1       PRO  12 -17.713   8.491  12.724
  101   1HD   PRO  12          HD2       PRO  12 -17.497   5.827  12.064
  102   2HD   PRO  12          HD1       PRO  12 -18.275   7.059  11.050
  103    H    SER  13           HN       SER  13 -13.060   8.609  11.796
  104    HA   SER  13           HA       SER  13 -11.037   7.782  12.693
  105   1HB   SER  13          HB2       SER  13 -13.068   7.003  14.199
  106   2HB   SER  13          HB1       SER  13 -12.617   5.404  13.620
  107    HG   SER  13           HG       SER  13 -11.441   5.805  15.461
  108    H    ARG  14           HN       ARG  14 -11.162   7.212  10.033
  109    HA   ARG  14           HA       ARG  14 -10.962   4.394   9.385
  110   1HB   ARG  14          HB2       ARG  14 -10.267   7.002   8.024
  111   2HB   ARG  14          HB1       ARG  14  -9.958   5.450   7.250
  112   1HG   ARG  14          HG2       ARG  14 -12.676   6.136   8.374
  113   2HG   ARG  14          HG1       ARG  14 -12.215   6.589   6.733
  114   1HD   ARG  14          HD2       ARG  14 -11.727   3.750   7.550
  115   2HD   ARG  14          HD1       ARG  14 -13.402   4.240   7.231
  116    HE   ARG  14           HE       ARG  14 -12.626   5.051   4.993
  117   1HH1  ARG  14          HH11      ARG  14 -12.326   2.153   4.801
  118   2HH1  ARG  14          HH12      ARG  14 -10.672   1.943   4.329
  119   1HH2  ARG  14          HH21      ARG  14  -9.728   5.157   5.264
  120   2HH2  ARG  14          HH22      ARG  14  -9.193   3.651   4.598
  121    HA   PRO  15           HA       PRO  15  -6.739   3.661  10.450
  122   1HB   PRO  15          HB2       PRO  15  -6.110   1.727   8.626
  123   2HB   PRO  15          HB1       PRO  15  -7.161   1.429  10.024
  124   1HG   PRO  15          HG2       PRO  15  -7.883   1.890   7.178
  125   2HG   PRO  15          HG1       PRO  15  -8.613   0.802   8.367
  126   1HD   PRO  15          HD2       PRO  15  -9.685   3.212   7.639
  127   2HD   PRO  15          HD1       PRO  15  -9.976   2.426   9.206
  128    H    ILE  16           HN       ILE  16  -4.541   3.260   9.124
  129    HA   ILE  16           HA       ILE  16  -3.793   5.685   7.866
  130    HB   ILE  16           HB       ILE  16  -1.774   4.379   7.175
  131   1HG1  ILE  16          HG12      ILE  16  -3.162   1.975   8.386
  132   2HG1  ILE  16          HG11      ILE  16  -3.173   2.285   6.651
  133   1HG2  ILE  16          HG21      ILE  16  -1.020   3.943   9.387
  134   2HG2  ILE  16          HG22      ILE  16  -2.644   3.543   9.946
  135   3HG2  ILE  16          HG23      ILE  16  -2.232   5.213   9.558
  136   1HD1  ILE  16          HD11      ILE  16  -1.323   0.778   7.223
  137   2HD1  ILE  16          HD12      ILE  16  -0.706   1.953   8.385
  138   3HD1  ILE  16          HD13      ILE  16  -0.689   2.325   6.661
  139    H    PHE  17           HN       PHE  17  -2.963   5.880   5.561
  140    HA   PHE  17           HA       PHE  17  -5.012   5.564   3.643
  141   1HB   PHE  17          HB2       PHE  17  -2.057   6.078   3.606
  142   2HB   PHE  17          HB1       PHE  17  -2.892   5.827   2.076
  143    HD1  PHE  17           HD1      PHE  17  -4.859   7.289   1.475
  144    HD2  PHE  17           HD2      PHE  17  -2.306   8.117   4.830
  145    HE1  PHE  17           HE1      PHE  17  -5.710   9.616   1.549
  146    HE2  PHE  17           HE2      PHE  17  -3.157  10.444   4.902
  147    HZ   PHE  17           HZ       PHE  17  -4.859  11.194   3.262
  148    H    ILE  18           HN       ILE  18  -5.150   4.158   1.792
  149    HA   ILE  18           HA       ILE  18  -4.356   1.375   2.362
  150    HB   ILE  18           HB       ILE  18  -5.888   0.893   0.465
  151   1HG1  ILE  18          HG12      ILE  18  -6.078   3.921   0.283
  152   2HG1  ILE  18          HG11      ILE  18  -5.376   2.857  -0.929
  153   1HG2  ILE  18          HG21      ILE  18  -7.878   1.472   1.600
  154   2HG2  ILE  18          HG22      ILE  18  -7.198   2.981   2.207
  155   3HG2  ILE  18          HG23      ILE  18  -6.659   1.440   2.875
  156   1HD1  ILE  18          HD11      ILE  18  -8.023   1.928  -0.281
  157   2HD1  ILE  18          HD12      ILE  18  -7.399   2.484  -1.834
  158   3HD1  ILE  18          HD13      ILE  18  -8.088   3.641  -0.695
  159    H    ARG  19           HN       ARG  19  -2.024   2.387   1.968
  160    HA   ARG  19           HA       ARG  19  -1.040   2.943  -0.628
  161   1HB   ARG  19          HB2       ARG  19   1.009   2.910   0.441
  162   2HB   ARG  19          HB1       ARG  19  -0.037   2.979   1.853
  163   1HG   ARG  19          HG2       ARG  19   0.873   0.339   0.690
  164   2HG   ARG  19          HG1       ARG  19   1.849   1.223   1.859
  165   1HD   ARG  19          HD2       ARG  19  -0.502   1.298   3.173
  166   2HD   ARG  19          HD1       ARG  19  -0.730  -0.213   2.269
  167    HE   ARG  19           HE       ARG  19   1.412  -1.018   3.240
  168   1HH1  ARG  19          HH11      ARG  19   1.962   2.013   4.040
  169   2HH1  ARG  19          HH12      ARG  19   1.951   1.839   5.762
  170   1HH2  ARG  19          HH21      ARG  19   0.563  -1.347   5.696
  171   2HH2  ARG  19          HH22      ARG  19   1.158  -0.071   6.705
  172    HA   PRO  20           HA       PRO  20  -1.189  -0.895  -2.740
  173   1HB   PRO  20          HB2       PRO  20   0.981  -0.622  -4.395
  174   2HB   PRO  20          HB1       PRO  20  -0.550   0.242  -4.639
  175   1HG   PRO  20          HG2       PRO  20   1.992   1.209  -3.430
  176   2HG   PRO  20          HG1       PRO  20   0.863   2.046  -4.503
  177   1HD   PRO  20          HD2       PRO  20   0.941   2.462  -1.820
  178   2HD   PRO  20          HD1       PRO  20  -0.535   2.638  -2.790
  179    H    ILE  21           HN       ILE  21   0.098  -2.882  -3.145
  180    HA   ILE  21           HA       ILE  21   1.679  -3.630  -0.822
  181    HB   ILE  21           HB       ILE  21   0.449  -4.884  -3.240
  182   1HG1  ILE  21          HG12      ILE  21  -0.742  -4.595  -1.077
  183   2HG1  ILE  21          HG11      ILE  21  -0.590  -6.284  -1.545
  184   1HG2  ILE  21          HG21      ILE  21   2.516  -6.302  -1.528
  185   2HG2  ILE  21          HG22      ILE  21   2.702  -5.890  -3.233
  186   3HG2  ILE  21          HG23      ILE  21   1.485  -7.065  -2.737
  187   1HD1  ILE  21          HD11      ILE  21   1.594  -6.229  -0.103
  188   2HD1  ILE  21          HD12      ILE  21   0.036  -6.334   0.715
  189   3HD1  ILE  21          HD13      ILE  21   0.875  -4.787   0.614
  190    H    GLY  22           HN       GLY  22   3.755  -4.858  -1.144
  191   1HA   GLY  22          HA2       GLY  22   5.802  -5.242  -2.415
  192   2HA   GLY  22          HA1       GLY  22   5.427  -3.814  -3.375
  193    H    CYS  23           HN       CYS  23   5.100  -1.797  -1.807
  194    HA   CYS  23           HA       CYS  23   7.663  -1.202  -0.656
  195   1HB   CYS  23          HB2       CYS  23   4.966   0.053  -0.886
  196   2HB   CYS  23          HB1       CYS  23   6.079   0.755   0.281
  197    H    ASP  24           HN       ASP  24   4.661  -2.400   0.759
  198    HA   ASP  24           HA       ASP  24   5.597  -1.968   3.516
  199   1HB   ASP  24          HB2       ASP  24   3.178  -2.055   2.336
  200   2HB   ASP  24          HB1       ASP  24   3.297  -3.739   2.840
  201    H    VAL  25           HN       VAL  25   6.784  -4.001   1.338
  202    HA   VAL  25           HA       VAL  25   7.170  -6.206   3.291
  203    HB   VAL  25           HB       VAL  25   6.691  -6.589   0.316
  204   1HG1  VAL  25          HG11      VAL  25   7.109  -8.359   2.687
  205   2HG1  VAL  25          HG12      VAL  25   7.674  -8.552   1.028
  206   3HG1  VAL  25          HG13      VAL  25   5.997  -8.914   1.435
  207   1HG2  VAL  25          HG21      VAL  25   4.740  -6.580   2.628
  208   2HG2  VAL  25          HG22      VAL  25   4.418  -7.492   1.153
  209   3HG2  VAL  25          HG23      VAL  25   4.606  -5.740   1.082
  210    H    CYS  26           HN       CYS  26   9.078  -4.449   3.271
  211    HA   CYS  26           HA       CYS  26  11.033  -4.201   1.301
  212   1HB   CYS  26          HB2       CYS  26  11.234  -4.529   4.307
  213   2HB   CYS  26          HB1       CYS  26  12.601  -4.040   3.313
  214    H    TYR  27           HN       TYR  27  10.297  -7.050   3.223
  215    HA   TYR  27           HA       TYR  27  12.736  -8.427   2.196
  216   1HB   TYR  27          HB2       TYR  27  10.798  -9.533   4.221
  217   2HB   TYR  27          HB1       TYR  27  12.523  -9.843   4.069
  218    HD1  TYR  27           HD1      TYR  27  10.061  -8.041   5.859
  219    HD2  TYR  27           HD2      TYR  27  14.083  -7.712   4.380
  220    HE1  TYR  27           HE1      TYR  27  10.522  -6.249   7.509
  221    HE2  TYR  27           HE2      TYR  27  14.541  -5.919   6.032
  222    HH   TYR  27           HH       TYR  27  13.473  -5.296   8.415
  223    H    GLY  28           HN       GLY  28  12.463  -9.798   0.495
  224   1HA   GLY  28          HA2       GLY  28  11.273 -11.803  -0.368
  225   2HA   GLY  28          HA1       GLY  28   9.762 -11.012   0.073
  226    H    ILE  29           HN       ILE  29  10.745  -8.367  -0.953
  227    HA   ILE  29           HA       ILE  29   9.969  -8.799  -3.753
  228    HB   ILE  29           HB       ILE  29   9.870  -6.356  -3.815
  229   1HG1  ILE  29          HG12      ILE  29  11.080  -6.417  -1.031
  230   2HG1  ILE  29          HG11      ILE  29  11.966  -5.978  -2.492
  231   1HG2  ILE  29          HG21      ILE  29   8.014  -7.569  -2.732
  232   2HG2  ILE  29          HG22      ILE  29   8.257  -5.983  -2.001
  233   3HG2  ILE  29          HG23      ILE  29   8.835  -7.432  -1.178
  234   1HD1  ILE  29          HD11      ILE  29  10.093  -4.240  -2.877
  235   2HD1  ILE  29          HD12      ILE  29  11.264  -3.901  -1.603
  236   3HD1  ILE  29          HD13      ILE  29   9.666  -4.521  -1.189
  237    HA   PRO  30           HA       PRO  30  13.967  -8.603  -5.504
  238   1HB   PRO  30          HB2       PRO  30  13.476  -7.242  -7.834
  239   2HB   PRO  30          HB1       PRO  30  13.007  -8.932  -7.562
  240   1HG   PRO  30          HG2       PRO  30  11.355  -6.484  -7.528
  241   2HG   PRO  30          HG1       PRO  30  10.923  -8.132  -7.987
  242   1HD   PRO  30          HD2       PRO  30  10.267  -6.921  -5.579
  243   2HD   PRO  30          HD1       PRO  30  10.274  -8.668  -5.877
  244    H    SER  31           HN       SER  31  15.773  -7.205  -5.907
  245    HA   SER  31           HA       SER  31  15.968  -4.876  -4.301
  246   1HB   SER  31          HB2       SER  31  17.709  -6.503  -5.434
  247   2HB   SER  31          HB1       SER  31  17.684  -5.308  -6.728
  248    HG   SER  31           HG       SER  31  19.196  -5.101  -4.777
  249    H    SER  32           HN       SER  32  15.305  -5.176  -7.803
  250    HA   SER  32           HA       SER  32  15.469  -2.388  -8.436
  251   1HB   SER  32          HB2       SER  32  15.316  -4.510  -9.933
  252   2HB   SER  32          HB1       SER  32  13.574  -4.364  -9.718
  253    HG   SER  32           HG       SER  32  15.393  -2.597 -10.958
  254    H    THR  33           HN       THR  33  12.680  -4.417  -7.466
  255    HA   THR  33           HA       THR  33  10.752  -2.259  -7.517
  256    HB   THR  33           HB       THR  33  10.860  -4.885  -5.992
  257    HG1  THR  33           HG1      THR  33   9.549  -4.193  -8.416
  258   1HG2  THR  33          HG21      THR  33   8.224  -4.406  -6.364
  259   2HG2  THR  33          HG22      THR  33   8.806  -2.750  -6.198
  260   3HG2  THR  33          HG23      THR  33   9.093  -3.918  -4.909
  261    H    ALA  34           HN       ALA  34  12.807  -3.695  -4.990
  262    HA   ALA  34           HA       ALA  34  11.854  -2.160  -2.775
  263   1HB   ALA  34          HB1       ALA  34  13.949  -2.904  -1.743
  264   2HB   ALA  34          HB2       ALA  34  14.636  -3.248  -3.330
  265   3HB   ALA  34          HB3       ALA  34  13.293  -4.216  -2.722
  266    H    ARG  35           HN       ARG  35  14.445  -1.526  -5.159
  267    HA   ARG  35           HA       ARG  35  15.444   0.893  -3.986
  268   1HB   ARG  35          HB2       ARG  35  15.382  -0.296  -6.764
  269   2HB   ARG  35          HB1       ARG  35  16.047   1.313  -6.502
  270   1HG   ARG  35          HG2       ARG  35  17.432   0.213  -4.604
  271   2HG   ARG  35          HG1       ARG  35  17.015  -1.313  -5.383
  272   1HD   ARG  35          HD2       ARG  35  19.177  -0.489  -6.245
  273   2HD   ARG  35          HD1       ARG  35  17.958  -0.427  -7.533
  274    HE   ARG  35           HE       ARG  35  17.975   2.036  -6.011
  275   1HH1  ARG  35          HH21      ARG  35  17.756   1.698  -9.036
  276   2HH1  ARG  35          HH22      ARG  35  19.229   2.441  -9.563
  277   1HH2  ARG  35          HH11      ARG  35  20.700   2.364  -6.414
  278   2HH2  ARG  35          HH12      ARG  35  20.903   2.820  -8.072
  279    H    LEU  36           HN       LEU  36  12.865   0.330  -6.395
  280    HA   LEU  36           HA       LEU  36  12.185   3.083  -6.858
  281   1HB   LEU  36          HB2       LEU  36  11.567   0.905  -8.115
  282   2HB   LEU  36          HB1       LEU  36  10.293   0.721  -6.911
  283    HG   LEU  36           HG       LEU  36  10.446   3.410  -8.124
  284   1HD1  LEU  36          HD11      LEU  36   9.357   2.680 -10.226
  285   2HD1  LEU  36          HD12      LEU  36   9.608   0.996  -9.764
  286   3HD1  LEU  36          HD13      LEU  36  10.994   2.037 -10.093
  287   1HD2  LEU  36          HD21      LEU  36   8.663   2.296  -6.559
  288   2HD2  LEU  36          HD22      LEU  36   8.076   1.550  -8.045
  289   3HD2  LEU  36          HD23      LEU  36   8.109   3.307  -7.894
  290    H    CYS  37           HN       CYS  37  11.036   0.674  -4.508
  291    HA   CYS  37           HA       CYS  37   8.913   2.192  -3.340
  292   1HB   CYS  37          HB2       CYS  37  10.562  -0.191  -2.763
  293   2HB   CYS  37          HB1       CYS  37   9.894   0.597  -1.338
  294    H    CYS  38           HN       CYS  38  12.411   2.207  -2.780
  295    HA   CYS  38           HA       CYS  38  12.227   3.851  -0.354
  296   1HB   CYS  38          HB2       CYS  38  14.014   2.240  -0.606
  297   2HB   CYS  38          HB1       CYS  38  14.467   2.908  -2.171
  298    H    PHE  39           HN       PHE  39  13.026   4.311  -3.783
  299    HA   PHE  39           HA       PHE  39  13.821   7.071  -3.603
  300   1HB   PHE  39          HB2       PHE  39  14.534   5.891  -5.497
  301   2HB   PHE  39          HB1       PHE  39  12.962   5.137  -5.740
  302    HD1  PHE  39           HD1      PHE  39  14.439   8.596  -5.606
  303    HD2  PHE  39           HD2      PHE  39  11.672   5.916  -7.508
  304    HE1  PHE  39           HE1      PHE  39  13.829  10.373  -7.224
  305    HE2  PHE  39           HE2      PHE  39  11.064   7.693  -9.125
  306    HZ   PHE  39           HZ       PHE  39  12.141   9.922  -8.984
  307    H    ARG  40           HN       ARG  40  10.675   5.508  -4.178
  308    HA   ARG  40           HA       ARG  40   9.408   8.184  -4.497
  309   1HB   ARG  40          HB2       ARG  40   8.774   5.345  -5.188
  310   2HB   ARG  40          HB1       ARG  40   7.427   6.460  -4.971
  311   1HG   ARG  40          HG2       ARG  40   9.783   7.164  -6.720
  312   2HG   ARG  40          HG1       ARG  40   8.413   6.250  -7.348
  313   1HD   ARG  40          HD2       ARG  40   7.026   8.077  -7.327
  314   2HD   ARG  40          HD1       ARG  40   7.712   8.700  -5.813
  315    HE   ARG  40           HE       ARG  40   9.721   9.403  -7.182
  316   1HH1  ARG  40          HH11      ARG  40   8.686   7.896  -9.664
  317   2HH1  ARG  40          HH12      ARG  40   8.139   9.220 -10.637
  318   1HH2  ARG  40          HH21      ARG  40   8.156  11.495  -8.007
  319   2HH2  ARG  40          HH22      ARG  40   7.837  11.268  -9.694
  320    H    TYR  41           HN       TYR  41   8.636   5.151  -2.715
  321    HA   TYR  41           HA       TYR  41   6.847   6.579  -0.903
  322   1HB   TYR  41          HB2       TYR  41   7.936   3.766  -1.069
  323   2HB   TYR  41          HB1       TYR  41   6.789   4.271   0.167
  324    HD1  TYR  41           HD1      TYR  41   4.470   4.610  -0.343
  325    HD2  TYR  41           HD2      TYR  41   7.301   3.853  -3.484
  326    HE1  TYR  41           HE1      TYR  41   2.604   4.270  -1.941
  327    HE2  TYR  41           HE2      TYR  41   5.437   3.517  -5.084
  328    HH   TYR  41           HH       TYR  41   3.107   2.975  -5.110
  329    H    GLY  42           HN       GLY  42  10.118   5.208  -0.673
  330   1HA   GLY  42          HA2       GLY  42  11.798   6.213   0.763
  331   2HA   GLY  42          HA1       GLY  42  10.513   6.799   1.810
  332    H    ASP  43           HN       ASP  43   9.990   3.557   0.838
  333    HA   ASP  43           HA       ASP  43  10.946   2.605   3.508
  334   1HB   ASP  43          HB2       ASP  43   8.948   1.269   1.672
  335   2HB   ASP  43          HB1       ASP  43   9.164   1.015   3.396
  336    H    CYS  44           HN       CYS  44  11.909   0.454   3.582
  337    HA   CYS  44           HA       CYS  44  13.396  -1.224   2.842
  338   1HB   CYS  44          HB2       CYS  44  12.274  -0.641   0.093
  339   2HB   CYS  44          HB1       CYS  44  12.941  -2.157   0.672
  340    H    CYS  45           HN       CYS  45  14.380   1.419   3.082
  341    HA   CYS  45           HA       CYS  45  15.983   2.057   0.695
  342   1HB   CYS  45          HB2       CYS  45  15.571   3.207   3.458
  343   2HB   CYS  45          HB1       CYS  45  16.811   3.842   2.382
  344    H    HIS  46           HN       HIS  46  16.750   1.392   4.133
  345    HA   HIS  46           HA       HIS  46  19.311   0.132   3.229
  346   1HB   HIS  46          HB2       HIS  46  19.388   2.423   4.364
  347   2HB   HIS  46          HB1       HIS  46  18.817   1.614   5.824
  348    HD1  HIS  46           HD1      HIS  46  20.386  -0.575   6.521
  349    HD2  HIS  46           HD2      HIS  46  22.137   2.343   4.111
  350    HE1  HIS  46           HE1      HIS  46  22.890  -0.904   6.702
  351    H    LEU  47           HN       LEU  47  18.968  -2.045   3.506
  352    HA   LEU  47           HA       LEU  47  17.316  -3.062   5.735
  353   1HB   LEU  47          HB2       LEU  47  17.850  -3.825   3.128
  354   2HB   LEU  47          HB1       LEU  47  18.822  -4.960   4.064
  355    HG   LEU  47           HG       LEU  47  16.085  -4.501   5.097
  356   1HD1  LEU  47          HD11      LEU  47  15.273  -6.242   3.342
  357   2HD1  LEU  47          HD12      LEU  47  16.639  -5.680   2.379
  358   3HD1  LEU  47          HD13      LEU  47  15.371  -4.550   2.854
  359   1HD2  LEU  47          HD21      LEU  47  17.862  -6.186   5.886
  360   2HD2  LEU  47          HD22      LEU  47  17.498  -7.087   4.415
  361   3HD2  LEU  47          HD23      LEU  47  16.239  -6.821   5.619
  Start of MODEL   18
    1   1H    HIS   1           HT1      HIS   1 -22.825 -18.274  -0.174
    2   2H    HIS   1           HT2      HIS   1 -22.018 -16.802  -0.441
    3   3H    HIS   1           HT3      HIS   1 -21.365 -18.252  -1.036
    4    HA   HIS   1           HA       HIS   1 -23.011 -18.471  -2.686
    5   1HB   HIS   1          HB2       HIS   1 -25.080 -17.235  -2.575
    6   2HB   HIS   1          HB1       HIS   1 -24.778 -17.864  -0.958
    7    HD1  HIS   1           HD1      HIS   1 -25.110 -14.705  -2.877
    8    HD2  HIS   1           HD2      HIS   1 -23.863 -15.848   0.934
    9    HE1  HIS   1           HE1      HIS   1 -25.005 -12.588  -1.492
   10    H    SER   2           HN       SER   2 -23.392 -16.964  -4.582
   11    HA   SER   2           HA       SER   2 -22.642 -15.304  -6.085
   12   1HB   SER   2          HB2       SER   2 -23.363 -14.027  -3.858
   13   2HB   SER   2          HB1       SER   2 -21.637 -13.691  -3.768
   14    HG   SER   2           HG       SER   2 -22.617 -12.081  -4.968
   15    H    SER   3           HN       SER   3 -20.534 -13.942  -6.557
   16    HA   SER   3           HA       SER   3 -18.061 -15.100  -5.429
   17   1HB   SER   3          HB2       SER   3 -19.372 -16.068  -7.828
   18   2HB   SER   3          HB1       SER   3 -17.781 -15.423  -8.221
   19    HG   SER   3           HG       SER   3 -17.848 -17.681  -7.545
   20    H    GLY   4           HN       GLY   4 -16.526 -13.494  -5.428
   21   1HA   GLY   4          HA2       GLY   4 -15.315 -11.851  -6.961
   22   2HA   GLY   4          HA1       GLY   4 -16.915 -11.197  -7.298
   23    H    TYR   5           HN       TYR   5 -15.307  -9.327  -6.396
   24    HA   TYR   5           HA       TYR   5 -16.175  -8.900  -3.576
   25   1HB   TYR   5          HB2       TYR   5 -13.811  -7.979  -3.181
   26   2HB   TYR   5          HB1       TYR   5 -13.947  -9.727  -3.333
   27    HD1  TYR   5           HD1      TYR   5 -12.754  -6.632  -4.922
   28    HD2  TYR   5           HD2      TYR   5 -13.154 -10.888  -5.352
   29    HE1  TYR   5           HE1      TYR   5 -11.144  -6.594  -6.806
   30    HE2  TYR   5           HE2      TYR   5 -11.545 -10.848  -7.238
   31    HH   TYR   5           HH       TYR   5 -10.841  -8.546  -9.002
   32    H    THR   6           HN       THR   6 -17.054  -6.888  -3.350
   33    HA   THR   6           HA       THR   6 -16.140  -4.664  -5.111
   34    HB   THR   6           HB       THR   6 -19.030  -5.546  -4.776
   35    HG1  THR   6           HG1      THR   6 -18.270  -6.981  -6.163
   36   1HG2  THR   6          HG21      THR   6 -17.695  -3.393  -6.434
   37   2HG2  THR   6          HG22      THR   6 -18.901  -3.173  -5.166
   38   3HG2  THR   6          HG23      THR   6 -19.355  -3.931  -6.692
   39    H    ARG   7           HN       ARG   7 -16.519  -2.588  -4.166
   40    HA   ARG   7           HA       ARG   7 -17.873  -2.500  -1.518
   41   1HB   ARG   7          HB2       ARG   7 -14.990  -2.156  -2.165
   42   2HB   ARG   7          HB1       ARG   7 -15.671  -0.998  -1.022
   43   1HG   ARG   7          HG2       ARG   7 -16.549  -2.880   0.339
   44   2HG   ARG   7          HG1       ARG   7 -15.805  -4.019  -0.782
   45   1HD   ARG   7          HD2       ARG   7 -14.106  -1.879   0.489
   46   2HD   ARG   7          HD1       ARG   7 -14.490  -3.356   1.394
   47    HE   ARG   7           HE       ARG   7 -13.705  -4.460  -0.924
   48   1HH1  ARG   7          HH11      ARG   7 -12.454  -1.854  -1.763
   49   2HH1  ARG   7          HH12      ARG   7 -10.824  -2.043  -1.208
   50   1HH2  ARG   7          HH21      ARG   7 -11.582  -4.691   0.916
   51   2HH2  ARG   7          HH22      ARG   7 -10.328  -3.660   0.316
   52    HA   PRO   8           HA       PRO   8 -19.309   1.354  -3.100
   53   1HB   PRO   8          HB2       PRO   8 -19.897   2.646  -0.761
   54   2HB   PRO   8          HB1       PRO   8 -20.883   1.320  -1.407
   55   1HG   PRO   8          HG2       PRO   8 -18.858   1.287   0.769
   56   2HG   PRO   8          HG1       PRO   8 -20.388   0.407   0.635
   57   1HD   PRO   8          HD2       PRO   8 -17.932  -0.706   0.156
   58   2HD   PRO   8          HD1       PRO   8 -19.449  -1.298  -0.554
   59    H    LEU   9           HN       LEU   9 -18.545   3.481  -3.485
   60    HA   LEU   9           HA       LEU   9 -15.761   4.006  -2.730
   61   1HB   LEU   9          HB2       LEU   9 -16.922   4.397  -4.986
   62   2HB   LEU   9          HB1       LEU   9 -17.692   5.793  -4.232
   63    HG   LEU   9           HG       LEU   9 -14.833   5.762  -3.695
   64   1HD1  LEU   9          HD11      LEU   9 -15.686   5.900  -6.604
   65   2HD1  LEU   9          HD12      LEU   9 -14.784   4.568  -5.880
   66   3HD1  LEU   9          HD13      LEU   9 -14.059   6.173  -5.980
   67   1HD2  LEU   9          HD21      LEU   9 -16.490   7.725  -5.305
   68   2HD2  LEU   9          HD22      LEU   9 -15.009   8.053  -4.405
   69   3HD2  LEU   9          HD23      LEU   9 -16.500   7.680  -3.541
   70    H    ARG  10           HN       ARG  10 -15.869   4.416  -0.444
   71    HA   ARG  10           HA       ARG  10 -16.663   7.156   0.275
   72   1HB   ARG  10          HB2       ARG  10 -18.465   4.994   0.561
   73   2HB   ARG  10          HB1       ARG  10 -17.867   5.338   2.184
   74   1HG   ARG  10          HG2       ARG  10 -18.747   7.481   2.208
   75   2HG   ARG  10          HG1       ARG  10 -18.664   7.649   0.454
   76   1HD   ARG  10          HD2       ARG  10 -20.545   5.640   1.706
   77   2HD   ARG  10          HD1       ARG  10 -21.021   7.339   1.515
   78    HE   ARG  10           HE       ARG  10 -20.469   5.443  -0.692
   79   1HH1  ARG  10          HH21      ARG  10 -22.899   7.263  -0.467
   80   2HH1  ARG  10          HH22      ARG  10 -22.525   8.480  -1.641
   81   1HH2  ARG  10          HH11      ARG  10 -19.158   7.612  -1.843
   82   2HH2  ARG  10          HH12      ARG  10 -20.394   8.680  -2.424
   83    H    LYS  11           HN       LYS  11 -16.018   7.627   2.567
   84    HA   LYS  11           HA       LYS  11 -13.376   6.796   3.176
   85   1HB   LYS  11          HB2       LYS  11 -14.614   8.850   3.953
   86   2HB   LYS  11          HB1       LYS  11 -15.500   7.825   5.084
   87   1HG   LYS  11          HG2       LYS  11 -13.715   7.604   6.486
   88   2HG   LYS  11          HG1       LYS  11 -12.558   7.511   5.157
   89   1HD   LYS  11          HD2       LYS  11 -13.005  10.018   4.807
   90   2HD   LYS  11          HD1       LYS  11 -13.785   9.982   6.389
   91   1HE   LYS  11          HE2       LYS  11 -11.670   9.015   7.353
   92   2HE   LYS  11          HE1       LYS  11 -10.898   9.258   5.773
   93   1HZ   LYS  11          HZ1       LYS  11 -11.564  11.603   5.876
   94   2HZ   LYS  11          HZ2       LYS  11 -10.535  11.189   7.163
   95   3HZ   LYS  11          HZ3       LYS  11 -12.205  11.357   7.428
   96    HA   PRO  12           HA       PRO  12 -14.531   2.779   4.840
   97   1HB   PRO  12          HB2       PRO  12 -11.977   1.800   4.950
   98   2HB   PRO  12          HB1       PRO  12 -12.922   1.867   3.451
   99   1HG   PRO  12          HG2       PRO  12 -10.741   3.640   4.394
  100   2HG   PRO  12          HG1       PRO  12 -11.140   3.111   2.754
  101   1HD   PRO  12          HD2       PRO  12 -11.755   5.586   3.804
  102   2HD   PRO  12          HD1       PRO  12 -12.579   4.835   2.422
  103    H    SER  13           HN       SER  13 -12.758   1.505   6.647
  104    HA   SER  13           HA       SER  13 -13.347   2.797   9.135
  105   1HB   SER  13          HB2       SER  13 -11.578   0.530   8.216
  106   2HB   SER  13          HB1       SER  13 -11.646   0.987   9.914
  107    HG   SER  13           HG       SER  13 -13.182  -0.630   9.370
  108    H    ARG  14           HN       ARG  14 -11.482   3.230  10.782
  109    HA   ARG  14           HA       ARG  14  -9.959   5.486  10.031
  110   1HB   ARG  14          HB2       ARG  14  -9.920   3.468  12.255
  111   2HB   ARG  14          HB1       ARG  14  -8.624   4.661  12.169
  112   1HG   ARG  14          HG2       ARG  14 -10.494   6.419  11.940
  113   2HG   ARG  14          HG1       ARG  14 -11.589   5.144  12.477
  114   1HD   ARG  14          HD2       ARG  14  -9.772   4.850  14.402
  115   2HD   ARG  14          HD1       ARG  14  -9.425   6.546  14.007
  116    HE   ARG  14           HE       ARG  14 -12.077   5.509  14.907
  117   1HH1  ARG  14          HH21      ARG  14 -10.265   7.542  16.359
  118   2HH1  ARG  14          HH22      ARG  14 -11.111   9.016  16.026
  119   1HH2  ARG  14          HH11      ARG  14 -13.043   7.639  13.485
  120   2HH2  ARG  14          HH12      ARG  14 -12.690   9.071  14.392
  121    HA   PRO  15           HA       PRO  15  -6.348   3.972   8.044
  122   1HB   PRO  15          HB2       PRO  15  -4.371   5.518   9.142
  123   2HB   PRO  15          HB1       PRO  15  -5.556   6.137   7.973
  124   1HG   PRO  15          HG2       PRO  15  -5.506   6.404  10.940
  125   2HG   PRO  15          HG1       PRO  15  -5.955   7.594   9.707
  126   1HD   PRO  15          HD2       PRO  15  -7.781   6.209  11.161
  127   2HD   PRO  15          HD1       PRO  15  -8.091   6.779   9.507
  128    H    ILE  16           HN       ILE  16  -4.391   2.725   8.363
  129    HA   ILE  16           HA       ILE  16  -4.450   1.021  10.731
  130    HB   ILE  16           HB       ILE  16  -2.628  -0.144   9.533
  131   1HG1  ILE  16          HG12      ILE  16  -2.704   1.555   7.145
  132   2HG1  ILE  16          HG11      ILE  16  -2.029   2.391   8.544
  133   1HG2  ILE  16          HG21      ILE  16  -4.612   0.700   7.432
  134   2HG2  ILE  16          HG22      ILE  16  -5.139  -0.223   8.840
  135   3HG2  ILE  16          HG23      ILE  16  -3.937  -0.900   7.741
  136   1HD1  ILE  16          HD11      ILE  16  -1.115  -0.407   8.032
  137   2HD1  ILE  16          HD12      ILE  16  -0.226   0.959   8.707
  138   3HD1  ILE  16          HD13      ILE  16  -0.506   0.862   6.969
  139    H    PHE  17           HN       PHE  17  -1.908   0.461  11.367
  140    HA   PHE  17           HA       PHE  17  -1.093   2.561  13.144
  141   1HB   PHE  17          HB2       PHE  17   0.030  -0.050  12.152
  142   2HB   PHE  17          HB1       PHE  17   1.009   0.983  13.190
  143    HD1  PHE  17           HD1      PHE  17  -1.876  -1.244  13.014
  144    HD2  PHE  17           HD2      PHE  17   0.215   1.588  15.477
  145    HE1  PHE  17           HE1      PHE  17  -3.108  -2.063  15.003
  146    HE2  PHE  17           HE2      PHE  17  -1.019   0.769  17.466
  147    HZ   PHE  17           HZ       PHE  17  -2.680  -1.057  17.229
  148    H    ILE  18           HN       ILE  18   1.482   3.039  13.048
  149    HA   ILE  18           HA       ILE  18   1.934   5.029  11.110
  150    HB   ILE  18           HB       ILE  18   3.610   3.378  12.975
  151   1HG1  ILE  18          HG12      ILE  18   2.239   5.229  13.827
  152   2HG1  ILE  18          HG11      ILE  18   3.952   5.588  14.012
  153   1HG2  ILE  18          HG21      ILE  18   4.720   5.446  11.052
  154   2HG2  ILE  18          HG22      ILE  18   5.098   3.723  11.049
  155   3HG2  ILE  18          HG23      ILE  18   5.601   4.733  12.402
  156   1HD1  ILE  18          HD11      ILE  18   3.092   7.589  13.128
  157   2HD1  ILE  18          HD12      ILE  18   1.987   6.743  12.045
  158   3HD1  ILE  18          HD13      ILE  18   3.716   6.767  11.699
  159    H    ARG  19           HN       ARG  19   3.638   5.050   9.423
  160    HA   ARG  19           HA       ARG  19   3.217   3.383   7.256
  161   1HB   ARG  19          HB2       ARG  19   4.428   5.422   7.052
  162   2HB   ARG  19          HB1       ARG  19   5.648   4.901   8.212
  163   1HG   ARG  19          HG2       ARG  19   5.496   2.988   6.066
  164   2HG   ARG  19          HG1       ARG  19   5.707   4.603   5.394
  165   1HD   ARG  19          HD2       ARG  19   7.404   3.787   7.738
  166   2HD   ARG  19          HD1       ARG  19   7.836   3.214   6.114
  167    HE   ARG  19           HE       ARG  19   7.935   5.578   5.386
  168   1HH1  ARG  19          HH11      ARG  19   6.281   6.892   7.448
  169   2HH1  ARG  19          HH12      ARG  19   7.460   7.592   8.506
  170   1HH2  ARG  19          HH21      ARG  19  10.073   5.636   7.312
  171   2HH2  ARG  19          HH22      ARG  19   9.613   6.874   8.433
  172    HA   PRO  20           HA       PRO  20   4.993  -0.456   8.658
  173   1HB   PRO  20          HB2       PRO  20   4.429  -1.857   6.370
  174   2HB   PRO  20          HB1       PRO  20   3.220  -1.507   7.622
  175   1HG   PRO  20          HG2       PRO  20   3.661  -0.186   5.000
  176   2HG   PRO  20          HG1       PRO  20   2.152  -0.522   5.858
  177   1HD   PRO  20          HD2       PRO  20   3.364   1.939   5.785
  178   2HD   PRO  20          HD1       PRO  20   2.267   1.403   7.069
  179    H    ILE  21           HN       ILE  21   6.728  -1.923   7.804
  180    HA   ILE  21           HA       ILE  21   8.891  -0.372   6.591
  181    HB   ILE  21           HB       ILE  21   8.685  -3.241   7.566
  182   1HG1  ILE  21          HG12      ILE  21  10.183  -1.655   9.338
  183   2HG1  ILE  21          HG11      ILE  21   8.775  -0.679   8.933
  184   1HG2  ILE  21          HG21      ILE  21  11.198  -2.924   7.857
  185   2HG2  ILE  21          HG22      ILE  21  11.044  -1.478   6.861
  186   3HG2  ILE  21          HG23      ILE  21  10.639  -3.058   6.190
  187   1HD1  ILE  21          HD11      ILE  21   8.820  -2.686  10.829
  188   2HD1  ILE  21          HD12      ILE  21   8.129  -3.502   9.427
  189   3HD1  ILE  21          HD13      ILE  21   7.366  -2.045  10.066
  190    H    GLY  22           HN       GLY  22  10.220  -1.348   4.828
  191   1HA   GLY  22          HA2       GLY  22  10.405  -2.871   2.918
  192   2HA   GLY  22          HA1       GLY  22   8.649  -2.987   2.899
  193    H    CYS  23           HN       CYS  23   7.623  -0.643   2.711
  194    HA   CYS  23           HA       CYS  23   8.337   0.390   0.119
  195   1HB   CYS  23          HB2       CYS  23   6.459   1.032   2.347
  196   2HB   CYS  23          HB1       CYS  23   6.690   2.259   1.109
  197    H    ASP  24           HN       ASP  24   9.186   1.394   3.395
  198    HA   ASP  24           HA       ASP  24  10.351   3.938   2.480
  199   1HB   ASP  24          HB2       ASP  24   9.196   3.120   4.758
  200   2HB   ASP  24          HB1       ASP  24  10.868   2.766   5.176
  201    H    VAL  25           HN       VAL  25  11.378   0.985   1.828
  202    HA   VAL  25           HA       VAL  25  14.249   1.666   2.153
  203    HB   VAL  25           HB       VAL  25  13.030  -1.069   2.687
  204   1HG1  VAL  25          HG11      VAL  25  15.379  -1.120   3.952
  205   2HG1  VAL  25          HG12      VAL  25  15.780   0.106   2.749
  206   3HG1  VAL  25          HG13      VAL  25  15.256  -1.497   2.233
  207   1HG2  VAL  25          HG21      VAL  25  13.665  -0.493   5.113
  208   2HG2  VAL  25          HG22      VAL  25  12.228   0.302   4.470
  209   3HG2  VAL  25          HG23      VAL  25  13.751   1.185   4.576
  210    H    CYS  26           HN       CYS  26  13.323   2.234  -0.172
  211    HA   CYS  26           HA       CYS  26  12.657   0.411  -2.168
  212   1HB   CYS  26          HB2       CYS  26  14.463   2.843  -2.186
  213   2HB   CYS  26          HB1       CYS  26  13.922   2.053  -3.661
  214    H    TYR  27           HN       TYR  27  15.769   0.754  -0.575
  215    HA   TYR  27           HA       TYR  27  17.045  -1.043  -2.585
  216   1HB   TYR  27          HB2       TYR  27  18.295   0.493  -0.290
  217   2HB   TYR  27          HB1       TYR  27  19.124  -0.208  -1.676
  218    HD1  TYR  27           HD1      TYR  27  17.647   2.743  -0.357
  219    HD2  TYR  27           HD2      TYR  27  18.336   0.639  -4.039
  220    HE1  TYR  27           HE1      TYR  27  17.309   4.847  -1.624
  221    HE2  TYR  27           HE2      TYR  27  17.998   2.744  -5.305
  222    HH   TYR  27           HH       TYR  27  16.561   5.080  -4.628
  223    H    GLY  28           HN       GLY  28  17.371  -3.153  -2.038
  224   1HA   GLY  28          HA2       GLY  28  18.223  -4.789  -0.390
  225   2HA   GLY  28          HA1       GLY  28  17.358  -3.895   0.857
  226    H    ILE  29           HN       ILE  29  14.961  -3.584  -0.943
  227    HA   ILE  29           HA       ILE  29  13.739  -6.179  -0.284
  228    HB   ILE  29           HB       ILE  29  11.653  -5.025  -0.798
  229   1HG1  ILE  29          HG12      ILE  29  13.371  -2.722  -1.782
  230   2HG1  ILE  29          HG11      ILE  29  12.500  -3.838  -2.835
  231   1HG2  ILE  29          HG21      ILE  29  12.783  -4.537   1.363
  232   2HG2  ILE  29          HG22      ILE  29  11.796  -3.190   0.798
  233   3HG2  ILE  29          HG23      ILE  29  13.550  -3.134   0.619
  234   1HD1  ILE  29          HD11      ILE  29  11.387  -1.781  -0.939
  235   2HD1  ILE  29          HD12      ILE  29  10.414  -3.173  -1.412
  236   3HD1  ILE  29          HD13      ILE  29  10.996  -2.047  -2.637
  237    HA   PRO  30           HA       PRO  30  13.776  -7.818  -4.337
  238   1HB   PRO  30          HB2       PRO  30  11.383  -9.153  -4.403
  239   2HB   PRO  30          HB1       PRO  30  12.800  -9.718  -3.497
  240   1HG   PRO  30          HG2       PRO  30  10.341  -8.400  -2.528
  241   2HG   PRO  30          HG1       PRO  30  11.379  -9.582  -1.728
  242   1HD   PRO  30          HD2       PRO  30  11.361  -6.856  -1.211
  243   2HD   PRO  30          HD1       PRO  30  12.674  -7.970  -0.788
  244    H    SER  31           HN       SER  31  12.883  -7.573  -6.466
  245    HA   SER  31           HA       SER  31  11.753  -5.049  -7.096
  246   1HB   SER  31          HB2       SER  31  13.035  -6.843  -8.496
  247   2HB   SER  31          HB1       SER  31  11.433  -7.498  -8.821
  248    HG   SER  31           HG       SER  31  11.911  -5.996 -10.401
  249    H    SER  32           HN       SER  32  10.155  -8.232  -6.721
  250    HA   SER  32           HA       SER  32   7.555  -7.452  -7.608
  251   1HB   SER  32          HB2       SER  32   8.621  -9.766  -6.970
  252   2HB   SER  32          HB1       SER  32   8.036  -9.392  -5.351
  253    HG   SER  32           HG       SER  32   6.576 -10.577  -6.842
  254    H    THR  33           HN       THR  33   9.014  -7.379  -4.338
  255    HA   THR  33           HA       THR  33   6.679  -6.267  -3.032
  256    HB   THR  33           HB       THR  33   9.645  -6.198  -2.371
  257    HG1  THR  33           HG1      THR  33   7.651  -7.857  -1.253
  258   1HG2  THR  33          HG21      THR  33   7.221  -5.248  -0.918
  259   2HG2  THR  33          HG22      THR  33   8.872  -4.628  -0.879
  260   3HG2  THR  33          HG23      THR  33   8.454  -6.079   0.031
  261    H    ALA  34           HN       ALA  34   9.623  -4.885  -4.480
  262    HA   ALA  34           HA       ALA  34   9.140  -2.145  -3.822
  263   1HB   ALA  34          HB1       ALA  34  10.563  -2.024  -6.126
  264   2HB   ALA  34          HB2       ALA  34  10.785  -3.730  -5.735
  265   3HB   ALA  34          HB3       ALA  34  11.288  -2.489  -4.587
  266    H    ARG  35           HN       ARG  35   8.085  -4.143  -6.583
  267    HA   ARG  35           HA       ARG  35   6.934  -2.029  -8.155
  268   1HB   ARG  35          HB2       ARG  35   7.454  -4.393  -8.873
  269   2HB   ARG  35          HB1       ARG  35   6.077  -4.937  -7.916
  270   1HG   ARG  35          HG2       ARG  35   4.675  -4.429  -9.600
  271   2HG   ARG  35          HG1       ARG  35   5.235  -2.756  -9.588
  272   1HD   ARG  35          HD2       ARG  35   6.394  -3.082 -11.508
  273   2HD   ARG  35          HD1       ARG  35   7.232  -4.482 -10.811
  274    HE   ARG  35           HE       ARG  35   5.118  -5.801 -11.365
  275   1HH1  ARG  35          HH21      ARG  35   3.392  -3.590 -12.296
  276   2HH1  ARG  35          HH22      ARG  35   3.595  -3.634 -14.015
  277   1HH2  ARG  35          HH11      ARG  35   6.488  -5.557 -13.886
  278   2HH2  ARG  35          HH12      ARG  35   5.355  -4.753 -14.919
  279    H    LEU  36           HN       LEU  36   5.541  -4.204  -5.683
  280    HA   LEU  36           HA       LEU  36   2.857  -3.174  -5.777
  281   1HB   LEU  36          HB2       LEU  36   4.259  -5.201  -4.511
  282   2HB   LEU  36          HB1       LEU  36   3.865  -4.124  -3.174
  283    HG   LEU  36           HG       LEU  36   2.092  -5.804  -3.499
  284   1HD1  LEU  36          HD11      LEU  36   0.229  -4.303  -3.467
  285   2HD1  LEU  36          HD12      LEU  36   1.086  -3.112  -4.445
  286   3HD1  LEU  36          HD13      LEU  36   1.589  -3.413  -2.781
  287   1HD2  LEU  36          HD21      LEU  36   0.878  -6.024  -5.528
  288   2HD2  LEU  36          HD22      LEU  36   2.566  -5.940  -6.032
  289   3HD2  LEU  36          HD23      LEU  36   1.530  -4.520  -6.177
  290    H    CYS  37           HN       CYS  37   5.730  -2.260  -3.891
  291    HA   CYS  37           HA       CYS  37   4.521  -0.365  -2.124
  292   1HB   CYS  37          HB2       CYS  37   7.200  -1.108  -3.142
  293   2HB   CYS  37          HB1       CYS  37   7.062   0.551  -2.571
  294    H    CYS  38           HN       CYS  38   5.662  -0.079  -5.475
  295    HA   CYS  38           HA       CYS  38   5.399   2.838  -5.550
  296   1HB   CYS  38          HB2       CYS  38   7.051   1.704  -6.911
  297   2HB   CYS  38          HB1       CYS  38   5.825   0.651  -7.610
  298    H    PHE  39           HN       PHE  39   3.514   0.025  -6.617
  299    HA   PHE  39           HA       PHE  39   1.484   1.463  -8.060
  300   1HB   PHE  39          HB2       PHE  39   1.761  -0.843  -8.502
  301   2HB   PHE  39          HB1       PHE  39   1.775  -1.259  -6.790
  302    HD1  PHE  39           HD1      PHE  39  -0.406  -0.023  -9.548
  303    HD2  PHE  39           HD2      PHE  39  -0.237  -1.774  -5.629
  304    HE1  PHE  39           HE1      PHE  39  -2.849  -0.436  -9.629
  305    HE2  PHE  39           HE2      PHE  39  -2.680  -2.188  -5.710
  306    HZ   PHE  39           HZ       PHE  39  -3.987  -1.518  -7.709
  307    H    ARG  40           HN       ARG  40   1.730   0.411  -4.664
  308    HA   ARG  40           HA       ARG  40  -0.946   1.569  -4.097
  309   1HB   ARG  40          HB2       ARG  40   0.890  -0.442  -2.935
  310   2HB   ARG  40          HB1       ARG  40  -0.050   0.483  -1.769
  311   1HG   ARG  40          HG2       ARG  40  -1.570  -0.488  -4.114
  312   2HG   ARG  40          HG1       ARG  40  -0.981  -1.745  -3.028
  313   1HD   ARG  40          HD2       ARG  40  -2.944  -1.255  -1.913
  314   2HD   ARG  40          HD1       ARG  40  -1.940   0.023  -1.199
  315    HE   ARG  40           HE       ARG  40  -2.795   1.226  -3.496
  316   1HH1  ARG  40          HH21      ARG  40  -5.107  -0.685  -3.546
  317   2HH1  ARG  40          HH22      ARG  40  -6.310   0.176  -2.646
  318   1HH2  ARG  40          HH11      ARG  40  -4.031   2.408  -1.256
  319   2HH2  ARG  40          HH12      ARG  40  -5.696   1.940  -1.340
  320    H    TYR  41           HN       TYR  41   2.264   1.676  -2.471
  321    HA   TYR  41           HA       TYR  41   1.560   4.104  -1.026
  322   1HB   TYR  41          HB2       TYR  41   4.058   2.460  -1.411
  323   2HB   TYR  41          HB1       TYR  41   4.047   3.921  -0.427
  324    HD1  TYR  41           HD1      TYR  41   2.951   3.982   1.726
  325    HD2  TYR  41           HD2      TYR  41   2.697   0.494  -0.769
  326    HE1  TYR  41           HE1      TYR  41   2.037   2.685   3.634
  327    HE2  TYR  41           HE2      TYR  41   1.778  -0.801   1.136
  328    HH   TYR  41           HH       TYR  41   0.408  -0.016   3.403
  329    H    GLY  42           HN       GLY  42   3.620   3.364  -3.829
  330   1HA   GLY  42          HA2       GLY  42   3.881   4.957  -5.647
  331   2HA   GLY  42          HA1       GLY  42   3.591   6.263  -4.506
  332    H    ASP  43           HN       ASP  43   5.699   3.878  -3.231
  333    HA   ASP  43           HA       ASP  43   8.035   5.671  -3.755
  334   1HB   ASP  43          HB2       ASP  43   7.774   3.536  -1.628
  335   2HB   ASP  43          HB1       ASP  43   8.886   4.893  -1.658
  336    H    CYS  44           HN       CYS  44  10.110   4.623  -4.158
  337    HA   CYS  44           HA       CYS  44  11.521   3.071  -5.242
  338   1HB   CYS  44          HB2       CYS  44   9.410   1.032  -4.502
  339   2HB   CYS  44          HB1       CYS  44  11.126   0.752  -4.732
  340    H    CYS  45           HN       CYS  45   9.590   4.511  -6.795
  341    HA   CYS  45           HA       CYS  45   8.322   2.648  -8.682
  342   1HB   CYS  45          HB2       CYS  45   8.586   5.642  -8.367
  343   2HB   CYS  45          HB1       CYS  45   7.830   4.936  -9.792
  344    H    HIS  46           HN       HIS  46  10.700   5.303  -9.037
  345    HA   HIS  46           HA       HIS  46  11.630   4.238 -11.611
  346   1HB   HIS  46          HB2       HIS  46  12.182   6.621  -9.852
  347   2HB   HIS  46          HB1       HIS  46  13.262   6.260 -11.199
  348    HD1  HIS  46           HD1      HIS  46  12.126   6.179 -13.623
  349    HD2  HIS  46           HD2      HIS  46   9.749   7.783 -10.597
  350    HE1  HIS  46           HE1      HIS  46  10.228   7.400 -14.773
  351    H    LEU  47           HN       LEU  47  12.535   2.182 -10.946
  352    HA   LEU  47           HA       LEU  47  15.017   2.368  -9.274
  353   1HB   LEU  47          HB2       LEU  47  12.704   0.637  -9.313
  354   2HB   LEU  47          HB1       LEU  47  14.161  -0.315  -9.597
  355    HG   LEU  47           HG       LEU  47  14.302   1.737  -7.444
  356   1HD1  LEU  47          HD11      LEU  47  13.337  -0.675  -6.267
  357   2HD1  LEU  47          HD12      LEU  47  12.194  -0.202  -7.522
  358   3HD1  LEU  47          HD13      LEU  47  12.596   0.924  -6.227
  359   1HD2  LEU  47          HD21      LEU  47  16.092   0.013  -8.257
  360   2HD2  LEU  47          HD22      LEU  47  15.145  -1.154  -7.335
  361   3HD2  LEU  47          HD23      LEU  47  15.861   0.237  -6.523
  Start of MODEL   19
    1   1H    HIS   1           HT1      HIS   1  25.379   4.941   6.316
    2   2H    HIS   1           HT2      HIS   1  26.124   3.489   5.840
    3   3H    HIS   1           HT3      HIS   1  24.432   3.633   5.801
    4    HA   HIS   1           HA       HIS   1  24.617   5.351   4.065
    5   1HB   HIS   1          HB2       HIS   1  27.185   5.466   5.123
    6   2HB   HIS   1          HB1       HIS   1  27.436   4.692   3.558
    7    HD1  HIS   1           HD1      HIS   1  27.236   7.947   5.007
    8    HD2  HIS   1           HD2      HIS   1  25.894   6.290   1.424
    9    HE1  HIS   1           HE1      HIS   1  26.809   9.886   3.436
   10    H    SER   2           HN       SER   2  24.402   4.588   1.897
   11    HA   SER   2           HA       SER   2  24.383   1.664   1.589
   12   1HB   SER   2          HB2       SER   2  23.481   2.397  -0.712
   13   2HB   SER   2          HB1       SER   2  22.530   2.874   0.690
   14    HG   SER   2           HG       SER   2  24.321   4.424  -0.866
   15    H    SER   3           HN       SER   3  26.880   1.765   1.930
   16    HA   SER   3           HA       SER   3  28.532   2.719  -0.273
   17   1HB   SER   3          HB2       SER   3  29.040   0.819   2.041
   18   2HB   SER   3          HB1       SER   3  30.295   1.505   1.013
   19    HG   SER   3           HG       SER   3  30.229   3.046   2.460
   20    H    GLY   4           HN       GLY   4  29.001   1.623  -2.143
   21   1HA   GLY   4          HA2       GLY   4  29.637  -0.428  -3.316
   22   2HA   GLY   4          HA1       GLY   4  28.600  -1.328  -2.210
   23    H    TYR   5           HN       TYR   5  26.241   0.076  -2.284
   24    HA   TYR   5           HA       TYR   5  25.457   0.579  -5.083
   25   1HB   TYR   5          HB2       TYR   5  25.431  -1.854  -4.961
   26   2HB   TYR   5          HB1       TYR   5  24.500  -1.805  -3.464
   27    HD1  TYR   5           HD1      TYR   5  24.355  -0.621  -7.021
   28    HD2  TYR   5           HD2      TYR   5  22.163  -1.915  -3.560
   29    HE1  TYR   5           HE1      TYR   5  22.249  -0.547  -8.326
   30    HE2  TYR   5           HE2      TYR   5  20.058  -1.842  -4.867
   31    HH   TYR   5           HH       TYR   5  19.727  -2.004  -7.827
   32    H    THR   6           HN       THR   6  23.757   2.021  -5.108
   33    HA   THR   6           HA       THR   6  22.511   2.754  -2.507
   34    HB   THR   6           HB       THR   6  22.300   4.104  -5.217
   35    HG1  THR   6           HG1      THR   6  24.310   4.588  -4.954
   36   1HG2  THR   6          HG21      THR   6  20.674   4.840  -3.534
   37   2HG2  THR   6          HG22      THR   6  21.867   6.105  -3.824
   38   3HG2  THR   6          HG23      THR   6  21.976   5.106  -2.375
   39    H    ARG   7           HN       ARG   7  20.736   1.440  -2.125
   40    HA   ARG   7           HA       ARG   7  19.106   0.201  -4.115
   41   1HB   ARG   7          HB2       ARG   7  17.540  -0.106  -2.154
   42   2HB   ARG   7          HB1       ARG   7  19.198  -0.607  -1.835
   43   1HG   ARG   7          HG2       ARG   7  19.190   0.761  -0.045
   44   2HG   ARG   7          HG1       ARG   7  19.105   2.126  -1.157
   45   1HD   ARG   7          HD2       ARG   7  16.548   1.695  -1.197
   46   2HD   ARG   7          HD1       ARG   7  16.834   0.722   0.259
   47    HE   ARG   7           HE       ARG   7  17.208   2.736   1.429
   48   1HH1  ARG   7          HH21      ARG   7  15.744   4.299  -0.656
   49   2HH1  ARG   7          HH22      ARG   7  16.914   5.487  -1.122
   50   1HH2  ARG   7          HH11      ARG   7  19.598   3.777   0.275
   51   2HH2  ARG   7          HH12      ARG   7  19.102   5.196  -0.585
   52    HA   PRO   8           HA       PRO   8  16.953   3.966  -5.278
   53   1HB   PRO   8          HB2       PRO   8  15.692   2.894  -7.450
   54   2HB   PRO   8          HB1       PRO   8  17.392   3.400  -7.474
   55   1HG   PRO   8          HG2       PRO   8  16.232   0.679  -7.276
   56   2HG   PRO   8          HG1       PRO   8  17.713   1.223  -8.075
   57   1HD   PRO   8          HD2       PRO   8  17.615  -0.049  -5.627
   58   2HD   PRO   8          HD1       PRO   8  18.962   0.958  -6.198
   59    H    LEU   9           HN       LEU   9  14.603   4.473  -5.703
   60    HA   LEU   9           HA       LEU   9  12.315   4.371  -5.162
   61   1HB   LEU   9          HB2       LEU   9  12.846   2.034  -6.248
   62   2HB   LEU   9          HB1       LEU   9  12.662   1.437  -4.603
   63    HG   LEU   9           HG       LEU   9  10.539   1.333  -5.920
   64   1HD1  LEU   9          HD11      LEU   9  10.722   1.759  -3.362
   65   2HD1  LEU   9          HD12      LEU   9   9.167   2.035  -4.147
   66   3HD1  LEU   9          HD13      LEU   9  10.210   3.401  -3.754
   67   1HD2  LEU   9          HD21      LEU   9  11.192   3.597  -7.092
   68   2HD2  LEU   9          HD22      LEU   9  10.374   4.329  -5.711
   69   3HD2  LEU   9          HD23      LEU   9   9.494   3.237  -6.781
   70    H    ARG  10           HN       ARG  10  11.849   5.349  -3.240
   71    HA   ARG  10           HA       ARG  10  13.033   4.696  -0.705
   72   1HB   ARG  10          HB2       ARG  10  11.921   6.859  -1.520
   73   2HB   ARG  10          HB1       ARG  10  10.376   6.067  -1.213
   74   1HG   ARG  10          HG2       ARG  10  10.534   6.614   0.960
   75   2HG   ARG  10          HG1       ARG  10  12.012   5.660   1.085
   76   1HD   ARG  10          HD2       ARG  10  12.875   7.973  -0.197
   77   2HD   ARG  10          HD1       ARG  10  11.699   8.572   0.990
   78    HE   ARG  10           HE       ARG  10  13.005   7.543   2.756
   79   1HH1  ARG  10          HH21      ARG  10  14.920   8.707   0.423
   80   2HH1  ARG  10          HH22      ARG  10  16.223   7.581   0.597
   81   1HH2  ARG  10          HH11      ARG  10  14.426   5.413   2.635
   82   2HH2  ARG  10          HH12      ARG  10  15.943   5.711   1.854
   83    H    LYS  11           HN       LYS  11  12.713   2.618   0.077
   84    HA   LYS  11           HA       LYS  11  11.579   0.792   1.041
   85   1HB   LYS  11          HB2       LYS  11  10.277   2.870   1.931
   86   2HB   LYS  11          HB1       LYS  11   9.049   2.413   0.752
   87   1HG   LYS  11          HG2       LYS  11   8.255   1.053   2.389
   88   2HG   LYS  11          HG1       LYS  11   9.603   0.000   1.959
   89   1HD   LYS  11          HD2       LYS  11   9.902   0.259   4.267
   90   2HD   LYS  11          HD1       LYS  11  10.969   1.502   3.614
   91   1HE   LYS  11          HE2       LYS  11   9.557   3.245   4.251
   92   2HE   LYS  11          HE1       LYS  11   8.107   2.223   4.202
   93   1HZ   LYS  11          HZ1       LYS  11   8.912   1.006   6.112
   94   2HZ   LYS  11          HZ2       LYS  11   8.840   2.661   6.491
   95   3HZ   LYS  11          HZ3       LYS  11  10.335   1.929   6.152
   96    HA   PRO  12           HA       PRO  12  10.232  -0.405  -3.189
   97   1HB   PRO  12          HB2       PRO  12  11.705  -2.715  -3.275
   98   2HB   PRO  12          HB1       PRO  12  12.362  -1.128  -3.718
   99   1HG   PRO  12          HG2       PRO  12  12.703  -2.684  -1.214
  100   2HG   PRO  12          HG1       PRO  12  13.859  -1.655  -2.073
  101   1HD   PRO  12          HD2       PRO  12  12.490  -0.896   0.177
  102   2HD   PRO  12          HD1       PRO  12  13.140   0.238  -1.026
  103    H    SER  13           HN       SER  13   9.789  -3.102  -3.663
  104    HA   SER  13           HA       SER  13   7.325  -3.682  -2.464
  105   1HB   SER  13          HB2       SER  13   9.445  -5.184  -3.918
  106   2HB   SER  13          HB1       SER  13   8.207  -6.143  -3.110
  107    HG   SER  13           HG       SER  13   7.676  -5.503  -5.289
  108    H    ARG  14           HN       ARG  14   6.687  -4.593  -0.555
  109    HA   ARG  14           HA       ARG  14   8.784  -5.348   1.418
  110   1HB   ARG  14          HB2       ARG  14   5.829  -4.691   1.667
  111   2HB   ARG  14          HB1       ARG  14   6.910  -4.999   3.025
  112   1HG   ARG  14          HG2       ARG  14   7.965  -2.969   2.826
  113   2HG   ARG  14          HG1       ARG  14   7.778  -2.924   1.072
  114   1HD   ARG  14          HD2       ARG  14   5.150  -2.815   1.961
  115   2HD   ARG  14          HD1       ARG  14   6.018  -1.823   3.148
  116    HE   ARG  14           HE       ARG  14   6.735  -0.368   1.365
  117   1HH1  ARG  14          HH11      ARG  14   3.859  -0.746   0.540
  118   2HH1  ARG  14          HH12      ARG  14   4.022  -1.145  -1.138
  119   1HH2  ARG  14          HH21      ARG  14   7.408  -1.880  -0.906
  120   2HH2  ARG  14          HH22      ARG  14   6.037  -1.782  -1.961
  121    HA   PRO  15           HA       PRO  15   7.553  -9.593   1.378
  122   1HB   PRO  15          HB2       PRO  15   7.797 -10.276   4.013
  123   2HB   PRO  15          HB1       PRO  15   9.195  -9.977   2.961
  124   1HG   PRO  15          HG2       PRO  15   7.956  -8.217   5.007
  125   2HG   PRO  15          HG1       PRO  15   9.659  -8.419   4.570
  126   1HD   PRO  15          HD2       PRO  15   8.093  -6.312   3.765
  127   2HD   PRO  15          HD1       PRO  15   9.543  -6.870   2.904
  128    H    ILE  16           HN       ILE  16   5.979 -11.172   2.519
  129    HA   ILE  16           HA       ILE  16   3.315 -10.174   2.441
  130    HB   ILE  16           HB       ILE  16   2.740 -12.384   3.408
  131   1HG1  ILE  16          HG12      ILE  16   5.733 -12.696   3.806
  132   2HG1  ILE  16          HG11      ILE  16   4.578 -12.413   5.106
  133   1HG2  ILE  16          HG21      ILE  16   5.083 -12.864   1.584
  134   2HG2  ILE  16          HG22      ILE  16   3.667 -11.996   0.990
  135   3HG2  ILE  16          HG23      ILE  16   3.502 -13.645   1.592
  136   1HD1  ILE  16          HD11      ILE  16   4.933 -14.783   5.029
  137   2HD1  ILE  16          HD12      ILE  16   4.742 -14.819   3.276
  138   3HD1  ILE  16          HD13      ILE  16   3.349 -14.495   4.309
  139    H    PHE  17           HN       PHE  17   1.803  -9.723   4.138
  140    HA   PHE  17           HA       PHE  17   2.654  -9.685   6.942
  141   1HB   PHE  17          HB2       PHE  17   3.798  -7.717   6.033
  142   2HB   PHE  17          HB1       PHE  17   2.289  -7.135   5.331
  143    HD1  PHE  17           HD1      PHE  17   3.953  -7.959   8.570
  144    HD2  PHE  17           HD2      PHE  17   0.754  -5.860   6.616
  145    HE1  PHE  17           HE1      PHE  17   3.397  -6.823  10.701
  146    HE2  PHE  17           HE2      PHE  17   0.198  -4.724   8.748
  147    HZ   PHE  17           HZ       PHE  17   1.519  -5.205  10.791
  148    H    ILE  18           HN       ILE  18   0.889  -9.031   8.366
  149    HA   ILE  18           HA       ILE  18  -1.759  -9.713   7.332
  150    HB   ILE  18           HB       ILE  18  -2.386  -9.448   9.727
  151   1HG1  ILE  18          HG12      ILE  18   0.463  -8.423   9.977
  152   2HG1  ILE  18          HG11      ILE  18  -1.009  -7.518  10.304
  153   1HG2  ILE  18          HG21      ILE  18   0.286 -10.843   9.637
  154   2HG2  ILE  18          HG22      ILE  18  -1.094 -11.476   8.740
  155   3HG2  ILE  18          HG23      ILE  18  -1.180 -11.320  10.494
  156   1HD1  ILE  18          HD11      ILE  18  -1.552  -9.317  12.048
  157   2HD1  ILE  18          HD12      ILE  18  -0.229  -8.219  12.440
  158   3HD1  ILE  18          HD13      ILE  18   0.120  -9.848  11.861
  159    H    ARG  19           HN       ARG  19  -1.532  -7.736   5.807
  160    HA   ARG  19           HA       ARG  19  -1.612  -5.051   6.458
  161   1HB   ARG  19          HB2       ARG  19  -2.590  -4.764   4.332
  162   2HB   ARG  19          HB1       ARG  19  -1.810  -6.337   4.204
  163   1HG   ARG  19          HG2       ARG  19  -4.734  -5.969   4.935
  164   2HG   ARG  19          HG1       ARG  19  -4.167  -6.274   3.295
  165   1HD   ARG  19          HD2       ARG  19  -2.937  -8.332   4.376
  166   2HD   ARG  19          HD1       ARG  19  -4.130  -8.119   5.672
  167    HE   ARG  19           HE       ARG  19  -5.903  -8.504   4.059
  168   1HH1  ARG  19          HH11      ARG  19  -3.317 -10.343   3.441
  169   2HH1  ARG  19          HH12      ARG  19  -3.509 -10.464   1.724
  170   1HH2  ARG  19          HH21      ARG  19  -5.910  -7.955   1.549
  171   2HH2  ARG  19          HH22      ARG  19  -4.979  -9.104   0.649
  172    HA   PRO  20           HA       PRO  20  -5.182  -4.317   8.905
  173   1HB   PRO  20          HB2       PRO  20  -5.666  -1.704   8.231
  174   2HB   PRO  20          HB1       PRO  20  -4.338  -2.209   9.297
  175   1HG   PRO  20          HG2       PRO  20  -4.276  -1.474   6.416
  176   2HG   PRO  20          HG1       PRO  20  -3.105  -1.127   7.695
  177   1HD   PRO  20          HD2       PRO  20  -2.766  -3.099   5.845
  178   2HD   PRO  20          HD1       PRO  20  -2.067  -3.149   7.474
  179    H    ILE  21           HN       ILE  21  -7.477  -3.486   8.693
  180    HA   ILE  21           HA       ILE  21  -8.764  -4.659   6.363
  181    HB   ILE  21           HB       ILE  21  -9.468  -3.495   9.019
  182   1HG1  ILE  21          HG12      ILE  21  -9.024  -5.914   8.609
  183   2HG1  ILE  21          HG11      ILE  21 -10.634  -5.608   9.247
  184   1HG2  ILE  21          HG21      ILE  21 -11.059  -2.318   7.551
  185   2HG2  ILE  21          HG22      ILE  21 -11.884  -3.540   8.518
  186   3HG2  ILE  21          HG23      ILE  21 -11.529  -3.854   6.821
  187   1HD1  ILE  21          HD11      ILE  21 -11.396  -6.836   7.504
  188   2HD1  ILE  21          HD12      ILE  21  -9.844  -6.753   6.671
  189   3HD1  ILE  21          HD13      ILE  21 -11.007  -5.439   6.502
  190    H    GLY  22           HN       GLY  22 -10.519  -3.405   5.223
  191   1HA   GLY  22          HA2       GLY  22 -11.408  -1.256   4.456
  192   2HA   GLY  22          HA1       GLY  22  -9.862  -0.521   4.869
  193    H    CYS  23           HN       CYS  23  -7.965  -1.798   3.670
  194    HA   CYS  23           HA       CYS  23  -8.254  -1.275   0.859
  195   1HB   CYS  23          HB2       CYS  23  -6.250  -2.499   2.708
  196   2HB   CYS  23          HB1       CYS  23  -6.013  -2.739   0.982
  197    H    ASP  24           HN       ASP  24  -8.599  -4.220   2.766
  198    HA   ASP  24           HA       ASP  24  -8.738  -5.960   0.402
  199   1HB   ASP  24          HB2       ASP  24  -7.939  -6.322   2.916
  200   2HB   ASP  24          HB1       ASP  24  -9.631  -6.746   3.149
  201    H    VAL  25           HN       VAL  25 -10.835  -3.686   1.292
  202    HA   VAL  25           HA       VAL  25 -13.215  -5.293   0.544
  203    HB   VAL  25           HB       VAL  25 -13.172  -3.219   2.764
  204   1HG1  VAL  25          HG11      VAL  25 -15.264  -4.765   3.330
  205   2HG1  VAL  25          HG12      VAL  25 -15.184  -5.105   1.601
  206   3HG1  VAL  25          HG13      VAL  25 -15.394  -3.447   2.165
  207   1HG2  VAL  25          HG21      VAL  25 -13.383  -5.287   4.272
  208   2HG2  VAL  25          HG22      VAL  25 -11.783  -4.977   3.599
  209   3HG2  VAL  25          HG23      VAL  25 -12.810  -6.224   2.892
  210    H    CYS  26           HN       CYS  26 -12.202  -3.990  -1.433
  211    HA   CYS  26           HA       CYS  26 -12.352  -1.241  -1.835
  212   1HB   CYS  26          HB2       CYS  26 -13.117  -3.568  -3.619
  213   2HB   CYS  26          HB1       CYS  26 -12.959  -1.922  -4.219
  214    H    TYR  27           HN       TYR  27 -15.041  -3.481  -1.465
  215    HA   TYR  27           HA       TYR  27 -16.995  -1.382  -2.267
  216   1HB   TYR  27          HB2       TYR  27 -17.284  -4.325  -1.593
  217   2HB   TYR  27          HB1       TYR  27 -18.584  -3.294  -2.178
  218    HD1  TYR  27           HD1      TYR  27 -15.527  -5.107  -3.078
  219    HD2  TYR  27           HD2      TYR  27 -18.558  -2.405  -4.483
  220    HE1  TYR  27           HE1      TYR  27 -14.822  -5.532  -5.416
  221    HE2  TYR  27           HE2      TYR  27 -17.852  -2.832  -6.820
  222    HH   TYR  27           HH       TYR  27 -16.442  -5.150  -7.922
  223    H    GLY  28           HN       GLY  28 -18.054  -0.250  -0.696
  224   1HA   GLY  28          HA2       GLY  28 -19.377  -0.271   1.384
  225   2HA   GLY  28          HA1       GLY  28 -18.222  -1.422   2.046
  226    H    ILE  29           HN       ILE  29 -15.936   0.217   0.874
  227    HA   ILE  29           HA       ILE  29 -15.717   2.060   3.162
  228    HB   ILE  29           HB       ILE  29 -13.377   2.199   2.489
  229   1HG1  ILE  29          HG12      ILE  29 -14.162   0.584   0.041
  230   2HG1  ILE  29          HG11      ILE  29 -13.824   2.315   0.024
  231   1HG2  ILE  29          HG21      ILE  29 -12.765  -0.136   2.689
  232   2HG2  ILE  29          HG22      ILE  29 -14.356  -0.643   2.120
  233   3HG2  ILE  29          HG23      ILE  29 -14.193   0.158   3.682
  234   1HD1  ILE  29          HD11      ILE  29 -11.915   0.063   0.684
  235   2HD1  ILE  29          HD12      ILE  29 -11.562   1.748   1.067
  236   3HD1  ILE  29          HD13      ILE  29 -11.781   1.252  -0.611
  237    HA   PRO  30           HA       PRO  30 -16.518   5.733   0.936
  238   1HB   PRO  30          HB2       PRO  30 -14.810   7.487   2.171
  239   2HB   PRO  30          HB1       PRO  30 -16.308   6.885   2.908
  240   1HG   PRO  30          HG2       PRO  30 -13.506   6.117   3.429
  241   2HG   PRO  30          HG1       PRO  30 -14.894   6.132   4.518
  242   1HD   PRO  30          HD2       PRO  30 -13.814   3.866   3.326
  243   2HD   PRO  30          HD1       PRO  30 -15.435   3.982   4.034
  244    H    SER  31           HN       SER  31 -15.690   7.153  -0.683
  245    HA   SER  31           HA       SER  31 -13.744   6.127  -2.458
  246   1HB   SER  31          HB2       SER  31 -15.599   7.822  -2.838
  247   2HB   SER  31          HB1       SER  31 -14.549   9.028  -2.104
  248    HG   SER  31           HG       SER  31 -13.221   8.923  -3.792
  249    H    SER  32           HN       SER  32 -13.393   8.654   0.050
  250    HA   SER  32           HA       SER  32 -10.712   9.416  -0.570
  251   1HB   SER  32          HB2       SER  32 -12.559  10.375   1.050
  252   2HB   SER  32          HB1       SER  32 -11.786   9.329   2.239
  253    HG   SER  32           HG       SER  32 -10.977  11.590   1.947
  254    H    THR  33           HN       THR  33 -11.935   6.953   1.734
  255    HA   THR  33           HA       THR  33  -9.312   6.093   2.600
  256    HB   THR  33           HB       THR  33 -12.009   4.699   2.517
  257    HG1  THR  33           HG1      THR  33 -10.709   5.976   4.688
  258   1HG2  THR  33          HG21      THR  33 -10.654   2.906   2.994
  259   2HG2  THR  33          HG22      THR  33 -10.768   3.580   4.620
  260   3HG2  THR  33          HG23      THR  33  -9.354   3.919   3.621
  261    H    ALA  34           HN       ALA  34 -11.572   4.990   0.077
  262    HA   ALA  34           HA       ALA  34 -10.066   2.728  -0.817
  263   1HB   ALA  34          HB1       ALA  34 -11.988   4.600  -2.239
  264   2HB   ALA  34          HB2       ALA  34 -12.418   3.125  -1.373
  265   3HB   ALA  34          HB3       ALA  34 -11.481   3.031  -2.864
  266    H    ARG  35           HN       ARG  35  -9.968   6.175  -1.731
  267    HA   ARG  35           HA       ARG  35  -8.175   5.956  -3.954
  268   1HB   ARG  35          HB2       ARG  35  -9.530   7.952  -3.325
  269   2HB   ARG  35          HB1       ARG  35  -8.515   8.173  -1.901
  270   1HG   ARG  35          HG2       ARG  35  -6.945   9.241  -3.112
  271   2HG   ARG  35          HG1       ARG  35  -6.872   7.914  -4.272
  272   1HD   ARG  35          HD2       ARG  35  -8.832   8.825  -5.466
  273   2HD   ARG  35          HD1       ARG  35  -8.934  10.151  -4.292
  274    HE   ARG  35           HE       ARG  35  -7.057  11.149  -5.331
  275   1HH1  ARG  35          HH21      ARG  35  -8.023   9.210  -7.642
  276   2HH1  ARG  35          HH22      ARG  35  -6.481   8.643  -8.188
  277   1HH2  ARG  35          HH11      ARG  35  -4.765   9.827  -5.405
  278   2HH2  ARG  35          HH12      ARG  35  -4.629   8.997  -6.920
  279    H    LEU  36           HN       LEU  36  -7.569   6.499  -0.475
  280    HA   LEU  36           HA       LEU  36  -4.703   6.650  -0.632
  281   1HB   LEU  36          HB2       LEU  36  -6.584   7.076   1.259
  282   2HB   LEU  36          HB1       LEU  36  -6.050   5.471   1.758
  283    HG   LEU  36           HG       LEU  36  -4.022   7.611   1.148
  284   1HD1  LEU  36          HD11      LEU  36  -5.272   8.786   2.748
  285   2HD1  LEU  36          HD12      LEU  36  -4.091   7.931   3.740
  286   3HD1  LEU  36          HD13      LEU  36  -5.739   7.317   3.605
  287   1HD2  LEU  36          HD21      LEU  36  -4.149   4.975   2.550
  288   2HD2  LEU  36          HD22      LEU  36  -3.035   6.182   3.194
  289   3HD2  LEU  36          HD23      LEU  36  -2.878   5.640   1.523
  290    H    CYS  37           HN       CYS  37  -6.955   3.931  -0.203
  291    HA   CYS  37           HA       CYS  37  -5.075   1.859   0.363
  292   1HB   CYS  37          HB2       CYS  37  -7.862   2.175  -0.574
  293   2HB   CYS  37          HB1       CYS  37  -7.097   0.666  -1.057
  294    H    CYS  38           HN       CYS  38  -6.153   3.280  -2.717
  295    HA   CYS  38           HA       CYS  38  -4.757   1.301  -4.366
  296   1HB   CYS  38          HB2       CYS  38  -6.762   2.347  -5.181
  297   2HB   CYS  38          HB1       CYS  38  -6.135   3.957  -4.843
  298    H    PHE  39           HN       PHE  39  -4.187   4.596  -3.206
  299    HA   PHE  39           HA       PHE  39  -1.841   5.176  -4.749
  300   1HB   PHE  39          HB2       PHE  39  -2.978   6.988  -3.777
  301   2HB   PHE  39          HB1       PHE  39  -3.138   6.175  -2.223
  302    HD1  PHE  39           HD1      PHE  39  -1.602   6.594  -0.499
  303    HD2  PHE  39           HD2      PHE  39  -0.576   7.614  -4.543
  304    HE1  PHE  39           HE1      PHE  39   0.459   7.714   0.306
  305    HE2  PHE  39           HE2      PHE  39   1.485   8.733  -3.738
  306    HZ   PHE  39           HZ       PHE  39   2.003   8.782  -1.314
  307    H    ARG  40           HN       ARG  40  -2.251   3.719  -1.511
  308    HA   ARG  40           HA       ARG  40   0.702   3.387  -1.309
  309   1HB   ARG  40          HB2       ARG  40  -1.591   3.698   0.501
  310   2HB   ARG  40          HB1       ARG  40  -0.437   2.478   1.033
  311   1HG   ARG  40          HG2       ARG  40   1.224   4.518   0.218
  312   2HG   ARG  40          HG1       ARG  40  -0.141   5.402   0.902
  313   1HD   ARG  40          HD2       ARG  40   0.243   4.611   3.041
  314   2HD   ARG  40          HD1       ARG  40   0.901   3.068   2.461
  315    HE   ARG  40           HE       ARG  40   2.428   5.617   2.089
  316   1HH1  ARG  40          HH21      ARG  40   2.661   4.017   4.715
  317   2HH1  ARG  40          HH22      ARG  40   4.094   3.097   4.401
  318   1HH2  ARG  40          HH11      ARG  40   4.059   3.708   0.979
  319   2HH2  ARG  40          HH12      ARG  40   4.890   2.927   2.282
  320    H    TYR  41           HN       TYR  41  -2.221   1.357  -0.747
  321    HA   TYR  41           HA       TYR  41  -0.605  -1.079  -0.797
  322   1HB   TYR  41          HB2       TYR  41  -3.568  -0.503  -0.645
  323   2HB   TYR  41          HB1       TYR  41  -2.886  -2.122  -0.525
  324    HD1  TYR  41           HD1      TYR  41  -1.764  -2.867   1.469
  325    HD2  TYR  41           HD2      TYR  41  -3.031   1.220   1.080
  326    HE1  TYR  41           HE1      TYR  41  -1.319  -2.498   3.882
  327    HE2  TYR  41           HE2      TYR  41  -2.585   1.588   3.490
  328    HH   TYR  41           HH       TYR  41  -2.499   0.052   5.598
  329    H    GLY  42           HN       GLY  42  -2.855   0.540  -3.008
  330   1HA   GLY  42          HA2       GLY  42  -2.630   0.344  -5.409
  331   2HA   GLY  42          HA1       GLY  42  -1.849  -1.215  -5.184
  332    H    ASP  43           HN       ASP  43  -4.620  -0.913  -3.201
  333    HA   ASP  43           HA       ASP  43  -6.168  -2.602  -5.124
  334   1HB   ASP  43          HB2       ASP  43  -6.641  -2.310  -2.154
  335   2HB   ASP  43          HB1       ASP  43  -7.121  -3.634  -3.202
  336    H    CYS  44           HN       CYS  44  -8.473  -2.223  -5.286
  337    HA   CYS  44           HA       CYS  44 -10.396  -0.874  -5.511
  338   1HB   CYS  44          HB2       CYS  44  -9.214   0.755  -3.255
  339   2HB   CYS  44          HB1       CYS  44 -10.911   0.545  -3.644
  340    H    CYS  45           HN       CYS  45  -8.171  -0.313  -7.177
  341    HA   CYS  45           HA       CYS  45  -7.644   2.570  -7.223
  342   1HB   CYS  45          HB2       CYS  45  -6.994   0.163  -8.921
  343   2HB   CYS  45          HB1       CYS  45  -6.579   1.787  -9.461
  344    H    HIS  46           HN       HIS  46  -9.287   0.294  -9.446
  345    HA   HIS  46           HA       HIS  46 -10.492   2.456 -10.983
  346   1HB   HIS  46          HB2       HIS  46 -11.504   0.584 -12.224
  347   2HB   HIS  46          HB1       HIS  46  -9.798   0.264 -11.937
  348    HD1  HIS  46           HD1      HIS  46  -9.194  -1.722 -10.430
  349    HD2  HIS  46           HD2      HIS  46 -13.299  -1.035 -10.643
  350    HE1  HIS  46           HE1      HIS  46 -10.312  -3.722  -9.352
  351    H    LEU  47           HN       LEU  47 -13.111   1.355 -11.310
  352    HA   LEU  47           HA       LEU  47 -15.271   1.577 -10.409
  353   1HB   LEU  47          HB2       LEU  47 -14.049  -0.355  -9.147
  354   2HB   LEU  47          HB1       LEU  47 -14.027   0.766  -7.788
  355    HG   LEU  47           HG       LEU  47 -16.633   0.539  -9.171
  356   1HD1  LEU  47          HD11      LEU  47 -17.188  -1.612  -8.115
  357   2HD1  LEU  47          HD12      LEU  47 -15.534  -1.755  -7.518
  358   3HD1  LEU  47          HD13      LEU  47 -15.854  -1.810  -9.252
  359   1HD2  LEU  47          HD21      LEU  47 -15.585   0.657  -6.343
  360   2HD2  LEU  47          HD22      LEU  47 -17.274   0.267  -6.667
  361   3HD2  LEU  47          HD23      LEU  47 -16.613   1.817  -7.184
  Start of MODEL   20
    1   1H    HIS   1           HT1      HIS   1 -35.409  -2.489 -10.033
    2   2H    HIS   1           HT2      HIS   1 -36.180  -2.839  -8.560
    3   3H    HIS   1           HT3      HIS   1 -36.539  -3.752  -9.947
    4    HA   HIS   1           HA       HIS   1 -35.066  -4.978  -8.431
    5   1HB   HIS   1          HB2       HIS   1 -35.074  -5.357 -10.858
    6   2HB   HIS   1          HB1       HIS   1 -33.939  -4.027 -11.089
    7    HD1  HIS   1           HD1      HIS   1 -34.077  -7.301  -9.114
    8    HD2  HIS   1           HD2      HIS   1 -31.318  -4.879 -11.090
    9    HE1  HIS   1           HE1      HIS   1 -31.850  -8.497  -8.982
   10    H    SER   2           HN       SER   2 -33.521  -4.713  -6.874
   11    HA   SER   2           HA       SER   2 -31.868  -3.669  -5.550
   12   1HB   SER   2          HB2       SER   2 -30.812  -3.167  -8.352
   13   2HB   SER   2          HB1       SER   2 -29.846  -3.146  -6.880
   14    HG   SER   2           HG       SER   2 -30.065  -5.186  -8.252
   15    H    SER   3           HN       SER   3 -33.720  -1.970  -5.214
   16    HA   SER   3           HA       SER   3 -33.264   0.645  -6.496
   17   1HB   SER   3          HB2       SER   3 -35.133   1.221  -4.782
   18   2HB   SER   3          HB1       SER   3 -35.529   0.095  -6.076
   19    HG   SER   3           HG       SER   3 -34.794  -0.511  -3.397
   20    H    GLY   4           HN       GLY   4 -31.006   0.891  -5.691
   21   1HA   GLY   4          HA2       GLY   4 -29.633   2.205  -4.264
   22   2HA   GLY   4          HA1       GLY   4 -30.960   2.287  -3.108
   23    H    TYR   5           HN       TYR   5 -31.258   0.539  -1.627
   24    HA   TYR   5           HA       TYR   5 -30.599  -1.265  -0.254
   25   1HB   TYR   5          HB2       TYR   5 -30.249  -2.121  -2.769
   26   2HB   TYR   5          HB1       TYR   5 -28.559  -2.115  -2.269
   27    HD1  TYR   5           HD1      TYR   5 -31.891  -3.577  -1.661
   28    HD2  TYR   5           HD2      TYR   5 -27.746  -3.618  -0.533
   29    HE1  TYR   5           HE1      TYR   5 -32.246  -5.703  -0.436
   30    HE2  TYR   5           HE2      TYR   5 -28.101  -5.744   0.692
   31    HH   TYR   5           HH       TYR   5 -30.231  -6.880   1.821
   32    H    THR   6           HN       THR   6 -28.878  -1.803   1.210
   33    HA   THR   6           HA       THR   6 -26.915   0.334   1.594
   34    HB   THR   6           HB       THR   6 -27.381  -2.295   3.045
   35    HG1  THR   6           HG1      THR   6 -28.382   0.321   3.510
   36   1HG2  THR   6          HG21      THR   6 -26.317  -1.060   4.952
   37   2HG2  THR   6          HG22      THR   6 -25.920   0.241   3.830
   38   3HG2  THR   6          HG23      THR   6 -25.216  -1.361   3.608
   39    H    ARG   7           HN       ARG   7 -24.800   0.262   0.947
   40    HA   ARG   7           HA       ARG   7 -23.810  -1.911  -0.700
   41   1HB   ARG   7          HB2       ARG   7 -22.635   0.609   0.499
   42   2HB   ARG   7          HB1       ARG   7 -21.685  -0.472  -0.519
   43   1HG   ARG   7          HG2       ARG   7 -24.242   0.060  -1.763
   44   2HG   ARG   7          HG1       ARG   7 -23.431   1.578  -1.375
   45   1HD   ARG   7          HD2       ARG   7 -21.471   0.951  -2.631
   46   2HD   ARG   7          HD1       ARG   7 -22.058  -0.712  -2.823
   47    HE   ARG   7           HE       ARG   7 -23.400   1.673  -4.051
   48   1HH1  ARG   7          HH11      ARG   7 -25.096  -0.770  -3.812
   49   2HH1  ARG   7          HH12      ARG   7 -24.810  -1.574  -5.318
   50   1HH2  ARG   7          HH21      ARG   7 -21.940   0.250  -6.044
   51   2HH2  ARG   7          HH22      ARG   7 -23.017  -0.992  -6.590
   52    HA   PRO   8           HA       PRO   8 -22.026  -4.416   2.457
   53   1HB   PRO   8          HB2       PRO   8 -20.018  -5.614   1.031
   54   2HB   PRO   8          HB1       PRO   8 -21.731  -6.038   0.838
   55   1HG   PRO   8          HG2       PRO   8 -20.008  -4.302  -0.858
   56   2HG   PRO   8          HG1       PRO   8 -21.261  -5.459  -1.334
   57   1HD   PRO   8          HD2       PRO   8 -21.650  -2.763  -1.271
   58   2HD   PRO   8          HD1       PRO   8 -22.953  -3.948  -1.034
   59    H    LEU   9           HN       LEU   9 -20.531  -4.038   4.049
   60    HA   LEU   9           HA       LEU   9 -18.643  -3.221   5.184
   61   1HB   LEU   9          HB2       LEU   9 -17.620  -4.377   3.110
   62   2HB   LEU   9          HB1       LEU   9 -17.433  -2.750   2.459
   63    HG   LEU   9           HG       LEU   9 -16.240  -2.156   4.637
   64   1HD1  LEU   9          HD11      LEU   9 -16.850  -3.909   6.106
   65   2HD1  LEU   9          HD12      LEU   9 -15.178  -4.274   5.683
   66   3HD1  LEU   9          HD13      LEU   9 -16.496  -5.153   4.908
   67   1HD2  LEU   9          HD21      LEU   9 -14.120  -3.356   3.900
   68   2HD2  LEU   9          HD22      LEU   9 -14.941  -2.442   2.634
   69   3HD2  LEU   9          HD23      LEU   9 -15.107  -4.197   2.704
   70    H    ARG  10           HN       ARG  10 -18.076  -1.201   5.987
   71    HA   ARG  10           HA       ARG  10 -19.520   1.130   5.191
   72   1HB   ARG  10          HB2       ARG  10 -17.073   0.572   6.877
   73   2HB   ARG  10          HB1       ARG  10 -17.667   2.218   6.663
   74   1HG   ARG  10          HG2       ARG  10 -19.761   0.254   7.351
   75   2HG   ARG  10          HG1       ARG  10 -18.550   0.497   8.609
   76   1HD   ARG  10          HD2       ARG  10 -18.984   3.080   7.958
   77   2HD   ARG  10          HD1       ARG  10 -20.575   2.410   7.545
   78    HE   ARG  10           HE       ARG  10 -20.735   1.541   9.849
   79   1HH1  ARG  10          HH21      ARG  10 -17.912   1.377  10.655
   80   2HH1  ARG  10          HH22      ARG  10 -17.696   2.786  11.638
   81   1HH2  ARG  10          HH11      ARG  10 -20.562   4.365  10.462
   82   2HH2  ARG  10          HH12      ARG  10 -19.203   4.485  11.528
   83    H    LYS  11           HN       LYS  11 -19.046   2.696   3.676
   84    HA   LYS  11           HA       LYS  11 -17.955   3.839   1.945
   85   1HB   LYS  11          HB2       LYS  11 -15.473   2.728   3.295
   86   2HB   LYS  11          HB1       LYS  11 -15.566   4.137   2.246
   87   1HG   LYS  11          HG2       LYS  11 -17.350   4.965   4.005
   88   2HG   LYS  11          HG1       LYS  11 -16.524   3.824   5.068
   89   1HD   LYS  11          HD2       LYS  11 -14.364   4.925   4.558
   90   2HD   LYS  11          HD1       LYS  11 -15.209   6.085   3.531
   91   1HE   LYS  11          HE2       LYS  11 -16.589   6.758   5.536
   92   2HE   LYS  11          HE1       LYS  11 -15.544   5.724   6.530
   93   1HZ   LYS  11          HZ1       LYS  11 -13.616   6.933   5.689
   94   2HZ   LYS  11          HZ2       LYS  11 -14.694   7.990   6.467
   95   3HZ   LYS  11          HZ3       LYS  11 -14.625   7.942   4.771
   96    HA   PRO  12           HA       PRO  12 -17.567   0.015  -0.508
   97   1HB   PRO  12          HB2       PRO  12 -19.000   0.952  -2.644
   98   2HB   PRO  12          HB1       PRO  12 -19.760   0.256  -1.201
   99   1HG   PRO  12          HG2       PRO  12 -19.458   3.097  -1.995
  100   2HG   PRO  12          HG1       PRO  12 -20.787   2.294  -1.146
  101   1HD   PRO  12          HD2       PRO  12 -18.861   3.846   0.065
  102   2HD   PRO  12          HD1       PRO  12 -19.833   2.610   0.892
  103    H    SER  13           HN       SER  13 -17.330   0.369  -3.312
  104    HA   SER  13           HA       SER  13 -15.816   0.991  -5.001
  105   1HB   SER  13          HB2       SER  13 -16.627   3.265  -4.020
  106   2HB   SER  13          HB1       SER  13 -15.045   3.321  -3.250
  107    HG   SER  13           HG       SER  13 -14.436   4.083  -5.119
  108    H    ARG  14           HN       ARG  14 -13.288   1.849  -5.068
  109    HA   ARG  14           HA       ARG  14 -11.794  -0.248  -3.708
  110   1HB   ARG  14          HB2       ARG  14  -9.915   0.697  -5.005
  111   2HB   ARG  14          HB1       ARG  14 -11.343   0.506  -6.018
  112   1HG   ARG  14          HG2       ARG  14 -11.559   3.082  -4.879
  113   2HG   ARG  14          HG1       ARG  14  -9.876   2.919  -5.381
  114   1HD   ARG  14          HD2       ARG  14 -10.933   1.938  -7.597
  115   2HD   ARG  14          HD1       ARG  14 -12.366   2.839  -7.064
  116    HE   ARG  14           HE       ARG  14 -10.013   4.483  -6.798
  117   1HH1  ARG  14          HH21      ARG  14  -9.724   3.331  -9.580
  118   2HH1  ARG  14          HH22      ARG  14 -10.579   4.497 -10.532
  119   1HH2  ARG  14          HH11      ARG  14 -12.195   5.925  -7.804
  120   2HH2  ARG  14          HH12      ARG  14 -11.983   5.974  -9.523
  121    HA   PRO  15           HA       PRO  15 -10.765   2.182  -0.133
  122   1HB   PRO  15          HB2       PRO  15  -8.912   0.476   0.925
  123   2HB   PRO  15          HB1       PRO  15 -10.659   0.176   1.007
  124   1HG   PRO  15          HG2       PRO  15  -8.618  -1.009  -0.794
  125   2HG   PRO  15          HG1       PRO  15 -10.050  -1.750  -0.064
  126   1HD   PRO  15          HD2       PRO  15  -9.896  -0.903  -2.675
  127   2HD   PRO  15          HD1       PRO  15 -11.410  -1.084  -1.763
  128    H    ILE  16           HN       ILE  16  -8.787   3.174   0.838
  129    HA   ILE  16           HA       ILE  16  -7.024   4.270  -1.190
  130    HB   ILE  16           HB       ILE  16  -6.036   5.439   0.773
  131   1HG1  ILE  16          HG12      ILE  16  -8.022   4.172   2.605
  132   2HG1  ILE  16          HG11      ILE  16  -6.590   3.224   2.205
  133   1HG2  ILE  16          HG21      ILE  16  -8.019   6.669   1.389
  134   2HG2  ILE  16          HG22      ILE  16  -9.056   5.306   0.970
  135   3HG2  ILE  16          HG23      ILE  16  -8.195   6.180  -0.296
  136   1HD1  ILE  16          HD11      ILE  16  -6.099   4.526   4.190
  137   2HD1  ILE  16          HD12      ILE  16  -6.648   6.007   3.404
  138   3HD1  ILE  16          HD13      ILE  16  -5.180   5.204   2.846
  139    H    PHE  17           HN       PHE  17  -4.564   4.287  -0.741
  140    HA   PHE  17           HA       PHE  17  -3.526   1.610  -0.933
  141   1HB   PHE  17          HB2       PHE  17  -2.338   4.372  -0.599
  142   2HB   PHE  17          HB1       PHE  17  -1.327   2.939  -0.758
  143    HD1  PHE  17           HD1      PHE  17  -3.394   5.351  -2.499
  144    HD2  PHE  17           HD2      PHE  17  -1.572   1.472  -2.814
  145    HE1  PHE  17           HE1      PHE  17  -3.686   5.413  -4.960
  146    HE2  PHE  17           HE2      PHE  17  -1.864   1.536  -5.276
  147    HZ   PHE  17           HZ       PHE  17  -2.921   3.507  -6.348
  148    H    ILE  18           HN       ILE  18  -2.152   0.506   0.577
  149    HA   ILE  18           HA       ILE  18  -2.599   1.280   3.430
  150    HB   ILE  18           HB       ILE  18  -2.255  -1.125   3.862
  151   1HG1  ILE  18          HG12      ILE  18  -2.032  -1.485   0.863
  152   2HG1  ILE  18          HG11      ILE  18  -0.615  -1.375   1.905
  153   1HG2  ILE  18          HG21      ILE  18  -4.264  -1.947   2.782
  154   2HG2  ILE  18          HG22      ILE  18  -4.143  -0.716   1.525
  155   3HG2  ILE  18          HG23      ILE  18  -4.509  -0.248   3.186
  156   1HD1  ILE  18          HD11      ILE  18  -1.378  -3.738   1.446
  157   2HD1  ILE  18          HD12      ILE  18  -2.856  -3.369   2.333
  158   3HD1  ILE  18          HD13      ILE  18  -1.298  -3.324   3.158
  159    H    ARG  19           HN       ARG  19  -0.706   0.129   4.797
  160    HA   ARG  19           HA       ARG  19   1.520   0.153   5.476
  161   1HB   ARG  19          HB2       ARG  19   2.865  -0.836   3.943
  162   2HB   ARG  19          HB1       ARG  19   1.425  -0.877   2.940
  163   1HG   ARG  19          HG2       ARG  19   2.502   0.378   1.423
  164   2HG   ARG  19          HG1       ARG  19   2.552   1.697   2.579
  165   1HD   ARG  19          HD2       ARG  19   4.835   1.363   2.068
  166   2HD   ARG  19          HD1       ARG  19   4.633   0.431   3.562
  167    HE   ARG  19           HE       ARG  19   5.168  -1.459   2.259
  168   1HH1  ARG  19          HH21      ARG  19   4.855   0.970   0.009
  169   2HH1  ARG  19          HH22      ARG  19   4.247  -0.027  -1.269
  170   1HH2  ARG  19          HH11      ARG  19   3.793  -2.811   0.760
  171   2HH2  ARG  19          HH12      ARG  19   3.644  -2.174  -0.842
  172    HA   PRO  20           HA       PRO  20   2.550   4.406   5.753
  173   1HB   PRO  20          HB2       PRO  20   5.129   4.200   6.659
  174   2HB   PRO  20          HB1       PRO  20   3.705   3.895   7.678
  175   1HG   PRO  20          HG2       PRO  20   5.516   1.966   6.322
  176   2HG   PRO  20          HG1       PRO  20   4.747   1.866   7.911
  177   1HD   PRO  20          HD2       PRO  20   3.837   0.525   5.727
  178   2HD   PRO  20          HD1       PRO  20   2.791   1.046   7.062
  179    H    ILE  21           HN       ILE  21   4.439   5.936   5.121
  180    HA   ILE  21           HA       ILE  21   4.941   5.663   2.276
  181    HB   ILE  21           HB       ILE  21   5.314   7.635   4.483
  182   1HG1  ILE  21          HG12      ILE  21   3.301   7.482   2.988
  183   2HG1  ILE  21          HG11      ILE  21   4.086   9.056   2.976
  184   1HG2  ILE  21          HG21      ILE  21   7.539   7.688   3.426
  185   2HG2  ILE  21          HG22      ILE  21   6.633   9.153   3.051
  186   3HG2  ILE  21          HG23      ILE  21   6.788   7.880   1.842
  187   1HD1  ILE  21          HD11      ILE  21   3.485   7.516   0.734
  188   2HD1  ILE  21          HD12      ILE  21   5.215   7.267   0.965
  189   3HD1  ILE  21          HD13      ILE  21   4.576   8.900   0.776
  190    H    GLY  22           HN       GLY  22   7.175   6.011   1.397
  191   1HA   GLY  22          HA2       GLY  22   9.602   5.794   1.666
  192   2HA   GLY  22          HA1       GLY  22   9.307   4.750   3.053
  193    H    CYS  23           HN       CYS  23   7.812   2.790   2.389
  194    HA   CYS  23           HA       CYS  23   9.286   1.198   0.472
  195   1HB   CYS  23          HB2       CYS  23   6.840   0.946   2.176
  196   2HB   CYS  23          HB1       CYS  23   7.118  -0.271   0.941
  197    H    ASP  24           HN       ASP  24   6.363   3.144   0.261
  198    HA   ASP  24           HA       ASP  24   5.497   2.011  -2.294
  199   1HB   ASP  24          HB2       ASP  24   4.385   3.451  -0.219
  200   2HB   ASP  24          HB1       ASP  24   4.517   4.665  -1.486
  201    H    VAL  25           HN       VAL  25   8.198   3.729  -1.694
  202    HA   VAL  25           HA       VAL  25   8.101   5.132  -4.310
  203    HB   VAL  25           HB       VAL  25   9.335   6.268  -1.776
  204   1HG1  VAL  25          HG11      VAL  25   8.855   7.239  -4.577
  205   2HG1  VAL  25          HG12      VAL  25  10.297   7.396  -3.574
  206   3HG1  VAL  25          HG13      VAL  25   8.887   8.405  -3.254
  207   1HG2  VAL  25          HG21      VAL  25   7.024   6.241  -1.247
  208   2HG2  VAL  25          HG22      VAL  25   6.551   6.585  -2.911
  209   3HG2  VAL  25          HG23      VAL  25   7.284   7.849  -1.922
  210    H    CYS  26           HN       CYS  26   9.198   2.825  -4.475
  211    HA   CYS  26           HA       CYS  26  11.703   2.121  -3.478
  212   1HB   CYS  26          HB2       CYS  26  10.398   1.809  -6.186
  213   2HB   CYS  26          HB1       CYS  26  11.946   1.054  -5.825
  214    H    TYR  27           HN       TYR  27  10.976   4.678  -5.775
  215    HA   TYR  27           HA       TYR  27  13.879   5.041  -6.361
  216   1HB   TYR  27          HB2       TYR  27  11.545   6.490  -7.620
  217   2HB   TYR  27          HB1       TYR  27  13.148   6.224  -8.295
  218    HD1  TYR  27           HD1      TYR  27   9.790   5.019  -8.135
  219    HD2  TYR  27           HD2      TYR  27  13.851   3.748  -8.725
  220    HE1  TYR  27           HE1      TYR  27   8.982   2.941  -9.217
  221    HE2  TYR  27           HE2      TYR  27  13.042   1.669  -9.808
  222    HH   TYR  27           HH       TYR  27  10.361   1.202 -11.114
  223    H    GLY  28           HN       GLY  28  14.942   6.650  -5.296
  224   1HA   GLY  28          HA2       GLY  28  15.038   9.052  -4.715
  225   2HA   GLY  28          HA1       GLY  28  13.348   8.944  -4.232
  226    H    ILE  29           HN       ILE  29  13.887   6.284  -2.878
  227    HA   ILE  29           HA       ILE  29  14.691   7.421  -0.299
  228    HB   ILE  29           HB       ILE  29  14.003   5.236   0.566
  229   1HG1  ILE  29          HG12      ILE  29  13.713   4.397  -2.338
  230   2HG1  ILE  29          HG11      ILE  29  15.025   3.886  -1.276
  231   1HG2  ILE  29          HG21      ILE  29  12.243   6.856   0.005
  232   2HG2  ILE  29          HG22      ILE  29  11.685   5.207  -0.271
  233   3HG2  ILE  29          HG23      ILE  29  12.165   6.216  -1.636
  234   1HD1  ILE  29          HD11      ILE  29  13.420   2.128  -1.175
  235   2HD1  ILE  29          HD12      ILE  29  12.077   3.262  -1.021
  236   3HD1  ILE  29          HD13      ILE  29  13.203   3.041   0.318
  237    HA   PRO  30           HA       PRO  30  18.833   6.030  -0.248
  238   1HB   PRO  30          HB2       PRO  30  19.147   5.365   2.393
  239   2HB   PRO  30          HB1       PRO  30  19.068   7.037   1.800
  240   1HG   PRO  30          HG2       PRO  30  17.010   5.417   3.170
  241   2HG   PRO  30          HG1       PRO  30  17.296   7.158   3.222
  242   1HD   PRO  30          HD2       PRO  30  15.297   5.917   1.760
  243   2HD   PRO  30          HD1       PRO  30  15.917   7.551   1.461
  244    H    SER  31           HN       SER  31  20.187   4.140  -0.114
  245    HA   SER  31           HA       SER  31  19.000   1.670  -0.850
  246   1HB   SER  31          HB2       SER  31  21.423   2.664  -1.044
  247   2HB   SER  31          HB1       SER  31  21.679   1.869   0.506
  248    HG   SER  31           HG       SER  31  21.840   0.768  -1.828
  249    H    SER  32           HN       SER  32  20.107   2.804   2.355
  250    HA   SER  32           HA       SER  32  19.802   0.321   3.743
  251   1HB   SER  32          HB2       SER  32  20.897   2.587   4.418
  252   2HB   SER  32          HB1       SER  32  19.276   3.049   4.931
  253    HG   SER  32           HG       SER  32  20.595   2.052   6.587
  254    H    THR  33           HN       THR  33  17.515   3.029   3.252
  255    HA   THR  33           HA       THR  33  15.331   1.776   4.693
  256    HB   THR  33           HB       THR  33  15.405   3.900   2.522
  257    HG1  THR  33           HG1      THR  33  15.253   4.162   5.345
  258   1HG2  THR  33          HG21      THR  33  13.217   2.736   4.149
  259   2HG2  THR  33          HG22      THR  33  13.153   3.529   2.574
  260   3HG2  THR  33          HG23      THR  33  13.240   4.497   4.046
  261    H    ALA  34           HN       ALA  34  16.324   1.937   1.281
  262    HA   ALA  34           HA       ALA  34  14.099   0.548   0.144
  263   1HB   ALA  34          HB1       ALA  34  15.835   1.888  -1.059
  264   2HB   ALA  34          HB2       ALA  34  15.624   0.284  -1.761
  265   3HB   ALA  34          HB3       ALA  34  17.009   0.616  -0.722
  266    H    ARG  35           HN       ARG  35  17.198  -0.640   1.487
  267    HA   ARG  35           HA       ARG  35  16.834  -3.404   0.777
  268   1HB   ARG  35          HB2       ARG  35  18.954  -2.256   1.538
  269   2HB   ARG  35          HB1       ARG  35  18.287  -2.224   3.170
  270   1HG   ARG  35          HG2       ARG  35  18.545  -4.489   3.469
  271   2HG   ARG  35          HG1       ARG  35  18.269  -4.852   1.766
  272   1HD   ARG  35          HD2       ARG  35  20.784  -3.447   2.713
  273   2HD   ARG  35          HD1       ARG  35  20.670  -5.214   2.591
  274    HE   ARG  35           HE       ARG  35  20.443  -3.318   0.298
  275   1HH1  ARG  35          HH11      ARG  35  22.639  -5.243   0.225
  276   2HH1  ARG  35          HH12      ARG  35  21.995  -6.563  -0.692
  277   1HH2  ARG  35          HH21      ARG  35  18.688  -5.563  -0.298
  278   2HH2  ARG  35          HH22      ARG  35  19.747  -6.744  -0.992
  279    H    LEU  36           HN       LEU  36  15.984  -1.544   3.703
  280    HA   LEU  36           HA       LEU  36  14.871  -3.760   5.183
  281   1HB   LEU  36          HB2       LEU  36  15.590  -1.242   5.761
  282   2HB   LEU  36          HB1       LEU  36  13.870  -0.956   5.498
  283    HG   LEU  36           HG       LEU  36  13.529  -3.010   7.071
  284   1HD1  LEU  36          HD11      LEU  36  16.007  -3.557   7.023
  285   2HD1  LEU  36          HD12      LEU  36  15.309  -3.431   8.637
  286   3HD1  LEU  36          HD13      LEU  36  16.273  -2.105   7.987
  287   1HD2  LEU  36          HD21      LEU  36  12.865  -0.764   7.711
  288   2HD2  LEU  36          HD22      LEU  36  14.540  -0.314   8.030
  289   3HD2  LEU  36          HD23      LEU  36  13.728  -1.487   9.068
  290    H    CYS  37           HN       CYS  37  13.513  -1.388   2.911
  291    HA   CYS  37           HA       CYS  37  10.741  -2.023   3.222
  292   1HB   CYS  37          HB2       CYS  37  12.540  -0.627   1.341
  293   2HB   CYS  37          HB1       CYS  37  11.072  -1.251   0.602
  294    H    CYS  38           HN       CYS  38  13.336  -3.577   1.392
  295    HA   CYS  38           HA       CYS  38  11.476  -5.350  -0.065
  296   1HB   CYS  38          HB2       CYS  38  13.446  -4.516  -1.199
  297   2HB   CYS  38          HB1       CYS  38  14.489  -5.039   0.120
  298    H    PHE  39           HN       PHE  39  13.808  -5.480   2.598
  299    HA   PHE  39           HA       PHE  39  13.752  -8.325   3.018
  300   1HB   PHE  39          HB2       PHE  39  15.581  -7.138   3.901
  301   2HB   PHE  39          HB1       PHE  39  14.557  -5.869   4.565
  302    HD1  PHE  39           HD1      PHE  39  15.295  -9.526   4.917
  303    HD2  PHE  39           HD2      PHE  39  13.923  -5.928   6.823
  304    HE1  PHE  39           HE1      PHE  39  15.244 -10.701   7.100
  305    HE2  PHE  39           HE2      PHE  39  13.873  -7.104   9.005
  306    HZ   PHE  39           HZ       PHE  39  14.533  -9.490   9.144
  307    H    ARG  40           HN       ARG  40  11.860  -5.645   4.419
  308    HA   ARG  40           HA       ARG  40  10.322  -7.591   6.060
  309   1HB   ARG  40          HB2       ARG  40  11.096  -4.779   6.174
  310   2HB   ARG  40          HB1       ARG  40   9.388  -5.010   6.533
  311   1HG   ARG  40          HG2       ARG  40  10.414  -7.039   7.988
  312   2HG   ARG  40          HG1       ARG  40  11.778  -5.922   8.046
  313   1HD   ARG  40          HD2       ARG  40  10.676  -4.863   9.729
  314   2HD   ARG  40          HD1       ARG  40   9.529  -4.300   8.499
  315    HE   ARG  40           HE       ARG  40   9.188  -6.923   9.915
  316   1HH1  ARG  40          HH21      ARG  40   7.923  -4.132  10.685
  317   2HH1  ARG  40          HH22      ARG  40   6.309  -4.389  10.113
  318   1HH2  ARG  40          HH11      ARG  40   7.135  -7.211   8.256
  319   2HH2  ARG  40          HH12      ARG  40   5.861  -6.139   8.733
  320    H    TYR  41           HN       TYR  41   9.447  -4.740   4.044
  321    HA   TYR  41           HA       TYR  41   6.719  -5.653   3.719
  322   1HB   TYR  41          HB2       TYR  41   8.428  -3.527   2.426
  323   2HB   TYR  41          HB1       TYR  41   6.733  -3.755   2.017
  324    HD1  TYR  41           HD1      TYR  41   4.962  -3.300   3.647
  325    HD2  TYR  41           HD2      TYR  41   9.100  -2.652   4.600
  326    HE1  TYR  41           HE1      TYR  41   4.294  -1.942   5.608
  327    HE2  TYR  41           HE2      TYR  41   8.434  -1.299   6.569
  328    HH   TYR  41           HH       TYR  41   6.295   0.113   7.184
  329    H    GLY  42           HN       GLY  42   9.571  -5.655   1.586
  330   1HA   GLY  42          HA2       GLY  42   9.932  -7.513   0.036
  331   2HA   GLY  42          HA1       GLY  42   8.187  -7.687  -0.101
  332    H    ASP  43           HN       ASP  43   9.113  -4.396  -0.141
  333    HA   ASP  43           HA       ASP  43   8.698  -4.315  -3.097
  334   1HB   ASP  43          HB2       ASP  43   8.713  -1.921  -1.280
  335   2HB   ASP  43          HB1       ASP  43   7.801  -2.173  -2.756
  336    H    CYS  44           HN       CYS  44  10.042  -2.779  -4.328
  337    HA   CYS  44           HA       CYS  44  12.124  -1.891  -5.003
  338   1HB   CYS  44          HB2       CYS  44  12.711  -1.637  -2.045
  339   2HB   CYS  44          HB1       CYS  44  13.292  -0.615  -3.348
  340    H    CYS  45           HN       CYS  45  11.882  -4.736  -4.714
  341    HA   CYS  45           HA       CYS  45  14.359  -5.690  -3.411
  342   1HB   CYS  45          HB2       CYS  45  11.974  -6.933  -4.793
  343   2HB   CYS  45          HB1       CYS  45  13.363  -7.900  -4.305
  344    H    HIS  46           HN       HIS  46  12.877  -6.099  -6.648
  345    HA   HIS  46           HA       HIS  46  15.513  -6.685  -7.831
  346   1HB   HIS  46          HB2       HIS  46  12.658  -6.595  -8.848
  347   2HB   HIS  46          HB1       HIS  46  14.029  -7.000  -9.879
  348    HD1  HIS  46           HD1      HIS  46  11.677  -8.479  -7.508
  349    HD2  HIS  46           HD2      HIS  46  15.517  -9.376  -8.862
  350    HE1  HIS  46           HE1      HIS  46  12.121 -10.887  -6.861
  351    H    LEU  47           HN       LEU  47  16.511  -4.560  -7.570
  352    HA   LEU  47           HA       LEU  47  15.389  -2.449  -9.384
  353   1HB   LEU  47          HB2       LEU  47  16.527  -2.474  -6.647
  354   2HB   LEU  47          HB1       LEU  47  17.075  -1.147  -7.671
  355    HG   LEU  47           HG       LEU  47  14.146  -1.832  -7.499
  356   1HD1  LEU  47          HD11      LEU  47  13.867  -0.343  -5.638
  357   2HD1  LEU  47          HD12      LEU  47  15.556   0.160  -5.704
  358   3HD1  LEU  47          HD13      LEU  47  15.141  -1.473  -5.182
  359   1HD2  LEU  47          HD21      LEU  47  14.903  -0.294  -9.266
  360   2HD2  LEU  47          HD22      LEU  47  15.705   0.713  -8.061
  361   3HD2  LEU  47          HD23      LEU  47  13.947   0.577  -8.066