*HEADER    ANTIMICROBIAL PROTEIN                   21-MAY-19   6RSF              
*TITLE     NMR STRUCTURE OF PLEUROCIDIN KR IN SDS MICELLES                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PLEUROCIDIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: SEQUENCE MODIFICATION OF THE ANTIMICROBIAL PEPTIDE    
*COMPND   6 EXTRACTED FROM WINTER FLOUNDER FISH                                  
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: PSEUDOPLEURONECTES AMERICANUS;                  
*SOURCE   4 ORGANISM_COMMON: WINTER FLOUNDER;                                    
*SOURCE   5 ORGANISM_TAXID: 8265;                                                
*SOURCE   6 OTHER_DETAILS: THIS SEQUENCE IS A MODIFICATION OF THE ORIGINAL       
*SOURCE   7 ISOLATED PEPTIDE PLEUROCIDIN                                         
*KEYWDS    AMP, PLEUROCIDIN ANALOGUE, WINTER FLOUNDER, SDS MICELLES, SEQUENCE    
*KEYWDS   2 OPTIMIZATION, ANTIMICROBIAL PROTEIN                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    50                                                                    
*AUTHOR    G.MANZO,A.J.MASON                                                     
*REVDAT   1   09-DEC-20 6RSF    0                                                
# Restraints file 1: noes.tab
VARS INDEX GROUP RESID_I RESNAME_I ATOMNAME_I SEGNAME_I RESID_J RESNAME_J ATOMNAME_J SEGNAME_J D_LO D_HI FC W S
FORMAT %4d %3d  %5d %6s %6s %4s  %5d %6s %6s %4s  %9.3f %9.3f %.2f %.2f %.2f

 
   1  1   17 GLY  HA      A   20 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
   2  1   17 GLY  HA      A   21 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
   3  1   17 GLY  HA      A   18 ARG   HN     A    0.000   2.700 100.0 1.0 1.0
   4  1    1 GLY  HA      A    3 GLY   HN     A    0.000   3.300 100.0 1.0 1.0
   5  1   15 HIS  HA      A   17 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
   6  1   23 HIS  HA      A   24 TYR   HN     A    0.000   3.300 100.0 1.0 1.0
   7  1   14 ARG  HA      A   18 ARG   HN     A    0.000   3.300 100.0 1.0 1.0
   8  1   11 HIS  HA      A   14 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
   9  1   16 VAL  HA      A   18 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  10  1   15 HIS  HA      A   19 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  11  1    2 TRP  HN      A    4 SER   HN     A    0.000   3.300 100.0 1.0 1.0
  12  1   19 ALA  HN      A   20 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  13  1   20 ALA  HN      A   22 THR   HN     A    0.000   5.000 100.0 1.0 1.0
  14  1   18 ARG  HN      A   19 ALA   HN     A    0.000   3.300 100.0 1.0 1.0
  15  1    5 PHE  HN      A    8 ARG   HN     A    0.000   3.300 100.0 1.0 1.0
  15  2    6 PHE  HN      A    8 ARG   HN     A    0.000   3.300 100.0 1.0 1.0
  16  1    8 ARG  HN      A    9 ALA   HN     A    0.000   3.300 100.0 1.0 1.0
  16  2    8 ARG  HN      A   10 ALA   HN     A    0.000   3.300 100.0 1.0 1.0
  17  1    8 ARG  HN      A   12 VAL   HN     A    0.000   5.000 100.0 1.0 1.0
  18  1    5 PHE  HN      A    7 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  18  2    6 PHE  HN      A    7 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  19  1    5 PHE  HN      A    7 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  19  2    6 PHE  HN      A    7 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1  46.910  23.795  12.379
    2    H2   GLY   1           HT2      GLY   1  48.005  24.873  11.652
    3    H3   GLY   1           HT3      GLY   1  46.707  24.240  10.756
    4    HA2  GLY   1           HA1      GLY   1  46.455  25.978  13.109
    5    HA3  GLY   1           HA2      GLY   1  46.365  26.523  11.441
    6    H    TRP   2           HN       TRP   2  44.485  26.314  10.334
    7    HA   TRP   2           HA       TRP   2  42.109  25.657  11.839
    8    HB2  TRP   2           HB2      TRP   2  42.345  26.293   8.891
    9    HB3  TRP   2           HB1      TRP   2  40.901  26.407   9.896
   10    HD1  TRP   2           HD1      TRP   2  41.490  28.044  12.246
   11    HE1  TRP   2           HE1      TRP   2  42.458  30.434  12.171
   12    HE3  TRP   2           HE3      TRP   2  43.607  27.981   7.585
   13    HZ2  TRP   2           HZ2      TRP   2  43.942  32.110  10.369
   14    HZ3  TRP   2           HZ3      TRP   2  44.795  29.987   6.710
   15    HH2  TRP   2           HH2      TRP   2  44.965  32.049   8.096
   16    H    GLY   3           HN       GLY   3  44.217  24.035   9.642
   17    HA2  GLY   3           HA1      GLY   3  43.168  21.497  10.093
   18    HA3  GLY   3           HA2      GLY   3  42.436  22.100   8.612
   19    H    SER   4           HN       SER   4  45.499  23.413   9.132
   20    HA   SER   4           HA       SER   4  47.485  23.173   7.999
   21    HB2  SER   4           HB2      SER   4  47.678  21.243   9.520
   22    HB3  SER   4           HB1      SER   4  46.838  20.234   8.345
   23    HG   SER   4           HG       SER   4  48.740  19.943   7.515
   24    H    PHE   5           HN       PHE   5  45.555  23.837   6.284
   25    HA   PHE   5           HA       PHE   5  45.172  21.971   4.146
   26    HB2  PHE   5           HB2      PHE   5  44.816  24.975   4.252
   27    HB3  PHE   5           HB1      PHE   5  44.281  23.941   2.926
   28    HD1  PHE   5           HD1      PHE   5  43.738  24.867   6.466
   29    HD2  PHE   5           HD2      PHE   5  42.390  22.409   3.184
   30    HE1  PHE   5           HE1      PHE   5  41.642  24.351   7.713
   31    HE2  PHE   5           HE2      PHE   5  40.294  21.893   4.431
   32    HZ   PHE   5           HZ       PHE   5  39.893  22.917   6.667
   33    H    PHE   6           HN       PHE   6  47.106  21.233   3.342
   34    HA   PHE   6           HA       PHE   6  48.532  23.020   1.558
   35    HB2  PHE   6           HB2      PHE   6  49.939  21.773   3.934
   36    HB3  PHE   6           HB1      PHE   6  50.760  22.502   2.556
   37    HD1  PHE   6           HD1      PHE   6  50.277  24.951   1.983
   38    HD2  PHE   6           HD2      PHE   6  49.109  23.133   5.720
   39    HE1  PHE   6           HE1      PHE   6  50.023  27.210   3.004
   40    HE2  PHE   6           HE2      PHE   6  48.856  25.392   6.741
   41    HZ   PHE   6           HZ       PHE   6  49.293  27.430   5.377
   42    H    ARG   7           HN       ARG   7  49.572  20.044   3.185
   43    HA   ARG   7           HA       ARG   7  50.396  18.742   0.842
   44    HB2  ARG   7           HB2      ARG   7  50.322  16.667   2.252
   45    HB3  ARG   7           HB1      ARG   7  51.209  18.003   2.987
   46    HG2  ARG   7           HG2      ARG   7  49.164  18.611   4.277
   47    HG3  ARG   7           HG1      ARG   7  48.348  17.204   3.596
   48    HD2  ARG   7           HD2      ARG   7  49.252  16.679   5.823
   49    HD3  ARG   7           HD1      ARG   7  50.077  15.734   4.584
   50    HE   ARG   7           HE       ARG   7  52.043  16.771   5.334
   51   HH11  ARG   7          HH11      ARG   7  53.085  18.905   5.099
   52   HH12  ARG   7          HH12      ARG   7  52.365  20.199   5.997
   53   HH21  ARG   7          HH21      ARG   7  49.485  18.426   6.755
   54   HH22  ARG   7          HH22      ARG   7  50.327  19.928   6.934
   55    H    ARG   8           HN       ARG   8  47.251  19.145   2.213
   56    HA   ARG   8           HA       ARG   8  45.915  16.900   1.186
   57    HB2  ARG   8           HB2      ARG   8  44.762  19.684   1.443
   58    HB3  ARG   8           HB1      ARG   8  43.883  18.157   1.479
   59    HG2  ARG   8           HG2      ARG   8  45.970  19.009   3.514
   60    HG3  ARG   8           HG1      ARG   8  44.229  19.094   3.757
   61    HD2  ARG   8           HD2      ARG   8  44.248  16.546   3.180
   62    HD3  ARG   8           HD1      ARG   8  45.975  16.645   3.528
   63    HE   ARG   8           HE       ARG   8  44.682  17.865   5.702
   64   HH11  ARG   8          HH11      ARG   8  42.564  16.234   6.088
   65   HH12  ARG   8          HH12      ARG   8  43.157  14.704   6.641
   66   HH21  ARG   8          HH21      ARG   8  46.404  15.272   5.564
   67   HH22  ARG   8          HH22      ARG   8  45.331  14.160   6.346
   68    H    ALA   9           HN       ALA   9  47.315  19.572  -0.422
   69    HA   ALA   9           HA       ALA   9  45.615  19.616  -2.724
   70    HB1  ALA   9           HB1      ALA   9  47.366  20.987  -3.724
   71    HB2  ALA   9           HB2      ALA   9  48.469  20.557  -2.416
   72    HB3  ALA   9           HB3      ALA   9  47.033  21.522  -2.077
   73    H    ALA  10           HN       ALA  10  47.541  17.215  -1.613
   74    HA   ALA  10           HA       ALA  10  47.520  15.798  -4.087
   75    HB1  ALA  10           HB1      ALA  10  50.256  16.580  -3.090
   76    HB2  ALA  10           HB2      ALA  10  49.442  17.378  -4.436
   77    HB3  ALA  10           HB3      ALA  10  49.863  15.668  -4.547
   78    H    HIS  11           HN       HIS  11  47.315  15.855  -0.911
   79    HA   HIS  11           HA       HIS  11  47.518  14.326   0.799
   80    HB2  HIS  11           HB2      HIS  11  46.029  13.086  -0.754
   81    HB3  HIS  11           HB1      HIS  11  47.451  12.355  -1.496
   82    HD1  HIS  11           HD1      HIS  11  48.230  10.223  -0.458
   83    HD2  HIS  11           HD2      HIS  11  45.852  12.429   2.157
   84    HE1  HIS  11           HE1      HIS  11  47.963   8.814   1.630
   85    H    VAL  12           HN       VAL  12  49.718  15.142   1.154
   86    HA   VAL  12           HA       VAL  12  51.944  14.825   1.601
   87    HB   VAL  12           HB       VAL  12  51.352  11.881   1.152
   88   HG11  VAL  12          HG11      VAL  12  53.518  13.384   2.648
   89   HG12  VAL  12          HG12      VAL  12  53.727  12.334   1.246
   90   HG13  VAL  12          HG13      VAL  12  53.245  11.648   2.798
   91   HG21  VAL  12          HG21      VAL  12  50.960  11.820   3.596
   92   HG22  VAL  12          HG22      VAL  12  49.797  12.875   2.794
   93   HG23  VAL  12          HG23      VAL  12  51.161  13.570   3.669
   94    H    GLY  13           HN       GLY  13  51.542  12.103  -0.645
   95    HA2  GLY  13           HA1      GLY  13  52.645  13.478  -2.888
   96    HA3  GLY  13           HA2      GLY  13  53.849  12.475  -2.090
   97    H    ARG  14           HN       ARG  14  50.562  11.453  -1.936
   98    HA   ARG  14           HA       ARG  14  49.554   9.530  -2.707
   99    HB2  ARG  14           HB2      ARG  14  50.901  10.313  -5.301
  100    HB3  ARG  14           HB1      ARG  14  49.449   9.329  -5.115
  101    HG2  ARG  14           HG2      ARG  14  48.355  11.298  -3.982
  102    HG3  ARG  14           HG1      ARG  14  49.768  12.260  -4.416
  103    HD2  ARG  14           HD2      ARG  14  49.375  11.880  -6.779
  104    HD3  ARG  14           HD1      ARG  14  48.068  10.751  -6.421
  105    HE   ARG  14           HE       ARG  14  47.383  13.191  -5.183
  106   HH11  ARG  14          HH11      ARG  14  47.494  11.575  -8.198
  107   HH12  ARG  14          HH12      ARG  14  46.659  12.824  -9.062
  108   HH21  ARG  14          HH21      ARG  14  46.519  14.974  -6.347
  109   HH22  ARG  14          HH22      ARG  14  46.110  14.748  -8.015
  110    H    HIS  15           HN       HIS  15  50.399   7.773  -4.788
  111    HA   HIS  15           HA       HIS  15  51.568   5.802  -4.968
  112    HB2  HIS  15           HB2      HIS  15  53.259   7.338  -5.839
  113    HB3  HIS  15           HB1      HIS  15  53.841   7.654  -4.206
  114    HD1  HIS  15           HD1      HIS  15  52.999   4.221  -4.157
  115    HD2  HIS  15           HD2      HIS  15  56.216   6.359  -5.723
  116    HE1  HIS  15           HE1      HIS  15  54.867   2.548  -4.514
  117    H    VAL  16           HN       VAL  16  53.989   6.699  -2.679
  118    HA   VAL  16           HA       VAL  16  53.728   4.458  -1.075
  119    HB   VAL  16           HB       VAL  16  55.024   5.688   0.636
  120   HG11  VAL  16          HG11      VAL  16  55.940   6.347  -2.179
  121   HG12  VAL  16          HG12      VAL  16  56.130   4.769  -1.412
  122   HG13  VAL  16          HG13      VAL  16  56.965   6.176  -0.754
  123   HG21  VAL  16          HG21      VAL  16  53.951   7.849   0.565
  124   HG22  VAL  16          HG22      VAL  16  54.358   8.055  -1.139
  125   HG23  VAL  16          HG23      VAL  16  55.630   8.086   0.083
  126    H    GLY  17           HN       GLY  17  52.055   7.542  -0.884
  127    HA2  GLY  17           HA1      GLY  17  50.965   7.329   1.683
  128    HA3  GLY  17           HA2      GLY  17  50.255   8.233   0.353
  129    H    ARG  18           HN       ARG  18  49.355   6.566  -1.411
  130    HA   ARG  18           HA       ARG  18  47.084   5.369  -0.253
  131    HB2  ARG  18           HB2      ARG  18  48.255   4.653  -2.947
  132    HB3  ARG  18           HB1      ARG  18  46.565   4.580  -2.450
  133    HG2  ARG  18           HG2      ARG  18  48.242   7.089  -2.768
  134    HG3  ARG  18           HG1      ARG  18  46.921   6.572  -3.816
  135    HD2  ARG  18           HD2      ARG  18  46.779   7.590  -0.977
  136    HD3  ARG  18           HD1      ARG  18  45.897   8.155  -2.396
  137    HE   ARG  18           HE       ARG  18  45.049   5.528  -2.069
  138   HH11  ARG  18          HH11      ARG  18  42.699   6.282  -1.689
  139   HH12  ARG  18          HH12      ARG  18  42.413   6.795  -0.059
  140   HH21  ARG  18          HH21      ARG  18  45.779   7.090   0.719
  141   HH22  ARG  18          HH22      ARG  18  44.157   7.254   1.303
  142    H    ALA  19           HN       ALA  19  49.651   3.641  -2.036
  143    HA   ALA  19           HA       ALA  19  50.082   1.725   0.034
  144    HB1  ALA  19           HB1      ALA  19  48.493   0.775  -2.352
  145    HB2  ALA  19           HB2      ALA  19  47.830   1.022  -0.737
  146    HB3  ALA  19           HB3      ALA  19  49.063  -0.211  -1.005
  147    H    ALA  20           HN       ALA  20  51.366  -0.203  -0.871
  148    HA   ALA  20           HA       ALA  20  52.654   0.059  -3.399
  149    HB1  ALA  20           HB1      ALA  20  54.847   0.754  -2.689
  150    HB2  ALA  20           HB2      ALA  20  54.331   0.806  -1.003
  151    HB3  ALA  20           HB3      ALA  20  53.684   1.968  -2.160
  152    H    LEU  21           HN       LEU  21  51.999  -1.487  -0.479
  153    HA   LEU  21           HA       LEU  21  54.024  -3.410  -0.272
  154    HB2  LEU  21           HB2      LEU  21  51.110  -3.975   0.292
  155    HB3  LEU  21           HB1      LEU  21  52.527  -4.655   1.090
  156    HG   LEU  21           HG       LEU  21  51.549  -1.790   1.253
  157   HD11  LEU  21          HD11      LEU  21  50.339  -3.449   2.640
  158   HD12  LEU  21          HD12      LEU  21  51.265  -2.323   3.634
  159   HD13  LEU  21          HD13      LEU  21  51.871  -3.956   3.352
  160   HD21  LEU  21          HD21      LEU  21  54.110  -3.099   2.208
  161   HD22  LEU  21          HD22      LEU  21  53.480  -1.634   2.960
  162   HD23  LEU  21          HD23      LEU  21  53.930  -1.625   1.258
  163    H    THR  22           HN       THR  22  51.666  -2.966  -2.695
  164    HA   THR  22           HA       THR  22  51.374  -5.672  -3.553
  165    HB   THR  22           HB       THR  22  50.501  -4.682  -5.658
  166    HG1  THR  22           HG1      THR  22  50.454  -2.136  -4.913
  167   HG21  THR  22          HG21      THR  22  49.549  -3.446  -3.063
  168   HG22  THR  22          HG22      THR  22  48.942  -4.913  -3.831
  169   HG23  THR  22          HG23      THR  22  48.656  -3.343  -4.580
  170    H    HIS  23           HN       HIS  23  53.582  -3.042  -4.379
  171    HA   HIS  23           HA       HIS  23  54.828  -4.350  -6.578
  172    HB2  HIS  23           HB2      HIS  23  56.042  -2.247  -4.776
  173    HB3  HIS  23           HB1      HIS  23  56.489  -2.616  -6.443
  174    HD1  HIS  23           HD1      HIS  23  53.101  -2.960  -6.798
  175    HD2  HIS  23           HD2      HIS  23  55.390   0.413  -5.937
  176    HE1  HIS  23           HE1      HIS  23  51.718  -0.958  -7.499
  177    H    TYR  24           HN       TYR  24  56.052  -6.111  -6.505
  178    HA   TYR  24           HA       TYR  24  56.992  -7.292  -4.112
  179    HB2  TYR  24           HB2      TYR  24  56.538  -8.557  -6.195
  180    HB3  TYR  24           HB1      TYR  24  57.934  -7.784  -6.947
  181    HD1  TYR  24           HD1      TYR  24  60.196  -8.465  -6.415
  182    HD2  TYR  24           HD2      TYR  24  56.839 -10.083  -4.234
  183    HE1  TYR  24           HE1      TYR  24  61.687 -10.178  -5.389
  184    HE2  TYR  24           HE2      TYR  24  58.331 -11.795  -3.209
  185    HH   TYR  24           HH       TYR  24  61.802 -11.723  -3.606
  186    H    LEU  25           HN       LEU  25  58.166  -4.682  -5.902
  187    HA   LEU  25           HA       LEU  25  60.927  -4.917  -5.778
  188    HB2  LEU  25           HB2      LEU  25  59.917  -3.079  -6.962
  189    HB3  LEU  25           HB1      LEU  25  59.145  -2.486  -5.496
  190    HG   LEU  25           HG       LEU  25  61.276  -1.848  -4.543
  191   HD11  LEU  25          HD11      LEU  25  63.373  -2.162  -6.030
  192   HD12  LEU  25          HD12      LEU  25  62.421  -3.369  -6.898
  193   HD13  LEU  25          HD13      LEU  25  62.768  -3.584  -5.182
  194   HD21  LEU  25          HD21      LEU  25  60.279  -0.274  -6.151
  195   HD22  LEU  25          HD22      LEU  25  61.136  -1.068  -7.473
  196   HD23  LEU  25          HD23      LEU  25  62.040  -0.203  -6.230
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1  42.770  27.088   7.368
    2    H2   GLY   1           HT2      GLY   1  44.353  26.582   7.724
    3    H3   GLY   1           HT3      GLY   1  43.472  27.495   8.855
    4    HA2  GLY   1           HA1      GLY   1  42.088  25.786   9.386
    5    HA3  GLY   1           HA2      GLY   1  42.493  24.915   7.913
    6    H    TRP   2           HN       TRP   2  42.819  23.120   9.445
    7    HA   TRP   2           HA       TRP   2  45.064  23.215  11.257
    8    HB2  TRP   2           HB2      TRP   2  43.383  20.916  10.229
    9    HB3  TRP   2           HB1      TRP   2  44.637  20.760  11.459
   10    HD1  TRP   2           HD1      TRP   2  41.187  22.285  10.861
   11    HE1  TRP   2           HE1      TRP   2  40.138  22.895  13.136
   12    HE3  TRP   2           HE3      TRP   2  45.178  21.370  13.935
   13    HZ2  TRP   2           HZ2      TRP   2  40.888  22.987  15.909
   14    HZ3  TRP   2           HZ3      TRP   2  44.987  21.726  16.392
   15    HH2  TRP   2           HH2      TRP   2  42.848  22.533  17.381
   16    H    GLY   3           HN       GLY   3  46.557  24.025   9.534
   17    HA2  GLY   3           HA1      GLY   3  48.510  23.564   8.395
   18    HA3  GLY   3           HA2      GLY   3  48.164  21.849   8.560
   19    H    SER   4           HN       SER   4  45.388  22.887   7.386
   20    HA   SER   4           HA       SER   4  44.367  22.838   5.335
   21    HB2  SER   4           HB2      SER   4  45.843  24.887   5.074
   22    HB3  SER   4           HB1      SER   4  46.980  23.854   4.213
   23    HG   SER   4           HG       SER   4  44.467  23.471   3.318
   24    H    PHE   5           HN       PHE   5  46.756  20.789   6.168
   25    HA   PHE   5           HA       PHE   5  47.310  19.535   3.633
   26    HB2  PHE   5           HB2      PHE   5  47.707  18.557   6.471
   27    HB3  PHE   5           HB1      PHE   5  48.286  17.722   5.032
   28    HD1  PHE   5           HD1      PHE   5  49.629  19.314   3.306
   29    HD2  PHE   5           HD2      PHE   5  49.231  20.005   7.551
   30    HE1  PHE   5           HE1      PHE   5  51.660  20.753   3.265
   31    HE2  PHE   5           HE2      PHE   5  51.262  21.444   7.505
   32    HZ   PHE   5           HZ       PHE   5  52.483  21.808   5.366
   33    H    PHE   6           HN       PHE   6  45.873  18.402   2.527
   34    HA   PHE   6           HA       PHE   6  44.302  16.323   3.786
   35    HB2  PHE   6           HB2      PHE   6  42.961  18.760   2.587
   36    HB3  PHE   6           HB1      PHE   6  42.132  17.228   2.860
   37    HD1  PHE   6           HD1      PHE   6  43.089  20.352   4.348
   38    HD2  PHE   6           HD2      PHE   6  42.280  16.211   5.265
   39    HE1  PHE   6           HE1      PHE   6  42.714  20.953   6.736
   40    HE2  PHE   6           HE2      PHE   6  41.904  16.815   7.653
   41    HZ   PHE   6           HZ       PHE   6  42.134  19.183   8.391
   42    H    ARG   7           HN       ARG   7  46.250  15.927   2.021
   43    HA   ARG   7           HA       ARG   7  46.784  15.033  -0.026
   44    HB2  ARG   7           HB2      ARG   7  44.937  13.482   0.778
   45    HB3  ARG   7           HB1      ARG   7  43.833  14.402  -0.245
   46    HG2  ARG   7           HG2      ARG   7  45.293  13.916  -2.206
   47    HG3  ARG   7           HG1      ARG   7  46.317  12.924  -1.167
   48    HD2  ARG   7           HD2      ARG   7  44.404  11.459  -0.661
   49    HD3  ARG   7           HD1      ARG   7  43.364  12.455  -1.679
   50    HE   ARG   7           HE       ARG   7  45.644  11.546  -3.181
   51   HH11  ARG   7          HH11      ARG   7  44.027   9.366  -1.436
   52   HH12  ARG   7          HH12      ARG   7  43.150   8.622  -2.731
   53   HH21  ARG   7          HH21      ARG   7  43.920  11.103  -5.028
   54   HH22  ARG   7          HH22      ARG   7  43.089   9.607  -4.765
   55    H    ARG   8           HN       ARG   8  46.949  17.505  -0.461
   56    HA   ARG   8           HA       ARG   8  45.794  17.969  -3.073
   57    HB2  ARG   8           HB2      ARG   8  44.870  20.232  -2.365
   58    HB3  ARG   8           HB1      ARG   8  43.944  18.829  -1.835
   59    HG2  ARG   8           HG2      ARG   8  45.005  18.924   0.372
   60    HG3  ARG   8           HG1      ARG   8  46.003  20.282  -0.148
   61    HD2  ARG   8           HD2      ARG   8  42.976  20.259   0.040
   62    HD3  ARG   8           HD1      ARG   8  44.081  21.113   1.119
   63    HE   ARG   8           HE       ARG   8  44.651  22.003  -1.500
   64   HH11  ARG   8          HH11      ARG   8  44.237  24.344  -1.241
   65   HH12  ARG   8          HH12      ARG   8  42.592  24.786  -0.931
   66   HH21  ARG   8          HH21      ARG   8  41.573  21.545  -0.235
   67   HH22  ARG   8          HH22      ARG   8  41.084  23.201  -0.362
   68    H    ALA   9           HN       ALA   9  47.735  19.076  -0.354
   69    HA   ALA   9           HA       ALA   9  49.107  21.134  -1.794
   70    HB1  ALA   9           HB1      ALA   9  50.675  21.074   0.122
   71    HB2  ALA   9           HB2      ALA   9  49.840  19.646   0.731
   72    HB3  ALA   9           HB3      ALA   9  48.991  21.188   0.631
   73    H    ALA  10           HN       ALA  10  50.316  20.676  -3.521
   74    HA   ALA  10           HA       ALA  10  51.833  19.653  -4.910
   75    HB1  ALA  10           HB1      ALA  10  53.039  18.909  -2.241
   76    HB2  ALA  10           HB2      ALA  10  53.399  20.349  -3.193
   77    HB3  ALA  10           HB3      ALA  10  53.856  18.756  -3.795
   78    H    HIS  11           HN       HIS  11  52.251  17.255  -2.366
   79    HA   HIS  11           HA       HIS  11  50.472  15.323  -3.547
   80    HB2  HIS  11           HB2      HIS  11  52.204  13.725  -4.240
   81    HB3  HIS  11           HB1      HIS  11  52.329  15.222  -5.164
   82    HD1  HIS  11           HD1      HIS  11  54.281  16.876  -4.493
   83    HD2  HIS  11           HD2      HIS  11  54.461  13.122  -2.694
   84    HE1  HIS  11           HE1      HIS  11  56.596  16.674  -3.486
   85    H    VAL  12           HN       VAL  12  51.321  16.600  -0.945
   86    HA   VAL  12           HA       VAL  12  52.497  14.538   0.658
   87    HB   VAL  12           HB       VAL  12  50.831  16.895   1.590
   88   HG11  VAL  12          HG11      VAL  12  52.889  15.119   2.932
   89   HG12  VAL  12          HG12      VAL  12  51.177  15.247   3.334
   90   HG13  VAL  12          HG13      VAL  12  52.259  16.605   3.642
   91   HG21  VAL  12          HG21      VAL  12  52.676  17.668   0.169
   92   HG22  VAL  12          HG22      VAL  12  53.813  16.662   1.068
   93   HG23  VAL  12          HG23      VAL  12  53.032  18.032   1.858
   94    H    GLY  13           HN       GLY  13  51.110  12.747  -0.014
   95    HA2  GLY  13           HA1      GLY  13  49.037  12.259   1.883
   96    HA3  GLY  13           HA2      GLY  13  48.379  12.547   0.278
   97    H    ARG  14           HN       ARG  14  50.983  11.352  -0.808
   98    HA   ARG  14           HA       ARG  14  49.986   8.725  -1.223
   99    HB2  ARG  14           HB2      ARG  14  52.777   9.803  -1.691
  100    HB3  ARG  14           HB1      ARG  14  52.108   8.323  -2.378
  101    HG2  ARG  14           HG2      ARG  14  50.313   9.693  -3.458
  102    HG3  ARG  14           HG1      ARG  14  51.121  11.147  -2.869
  103    HD2  ARG  14           HD2      ARG  14  51.846  10.765  -5.147
  104    HD3  ARG  14           HD1      ARG  14  53.198  10.395  -4.076
  105    HE   ARG  14           HE       ARG  14  51.614   8.035  -4.640
  106   HH11  ARG  14          HH11      ARG  14  51.909   8.342  -7.353
  107   HH12  ARG  14          HH12      ARG  14  53.560   7.979  -7.730
  108   HH21  ARG  14          HH21      ARG  14  54.666   8.356  -4.464
  109   HH22  ARG  14          HH22      ARG  14  55.121   7.985  -6.094
  110    H    HIS  15           HN       HIS  15  52.842   9.885   0.582
  111    HA   HIS  15           HA       HIS  15  53.676   7.452   1.629
  112    HB2  HIS  15           HB2      HIS  15  54.926   9.598   1.811
  113    HB3  HIS  15           HB1      HIS  15  53.778  10.129   3.038
  114    HD1  HIS  15           HD1      HIS  15  55.265   6.651   2.690
  115    HD2  HIS  15           HD2      HIS  15  55.299   9.856   5.354
  116    HE1  HIS  15           HE1      HIS  15  56.541   5.871   4.733
  117    H    VAL  16           HN       VAL  16  52.127   9.837   3.756
  118    HA   VAL  16           HA       VAL  16  51.088   7.761   5.457
  119    HB   VAL  16           HB       VAL  16  50.411  10.717   5.510
  120   HG11  VAL  16          HG11      VAL  16  48.913   9.348   6.855
  121   HG12  VAL  16          HG12      VAL  16  50.017  10.203   7.931
  122   HG13  VAL  16          HG13      VAL  16  50.281   8.497   7.573
  123   HG21  VAL  16          HG21      VAL  16  52.873  10.291   5.594
  124   HG22  VAL  16          HG22      VAL  16  52.613   9.224   6.974
  125   HG23  VAL  16          HG23      VAL  16  52.249  10.945   7.108
  126    H    GLY  17           HN       GLY  17  49.825   6.665   3.772
  127    HA2  GLY  17           HA1      GLY  17  47.108   6.987   4.025
  128    HA3  GLY  17           HA2      GLY  17  47.544   7.932   2.607
  129    H    ARG  18           HN       ARG  18  49.015   6.705   1.031
  130    HA   ARG  18           HA       ARG  18  47.652   4.252   0.313
  131    HB2  ARG  18           HB2      ARG  18  48.393   6.007  -1.341
  132    HB3  ARG  18           HB1      ARG  18  50.056   5.511  -1.024
  133    HG2  ARG  18           HG2      ARG  18  49.515   3.211  -1.718
  134    HG3  ARG  18           HG1      ARG  18  47.844   3.689  -2.019
  135    HD2  ARG  18           HD2      ARG  18  48.612   5.307  -3.720
  136    HD3  ARG  18           HD1      ARG  18  50.282   4.821  -3.426
  137    HE   ARG  18           HE       ARG  18  48.568   2.571  -4.126
  138   HH11  ARG  18          HH11      ARG  18  51.516   3.359  -4.861
  139   HH12  ARG  18          HH12      ARG  18  51.365   3.457  -6.584
  140   HH21  ARG  18          HH21      ARG  18  47.898   3.494  -6.545
  141   HH22  ARG  18          HH22      ARG  18  49.317   3.533  -7.537
  142    H    ALA  19           HN       ALA  19  51.133   5.014   0.559
  143    HA   ALA  19           HA       ALA  19  52.929   3.679   1.101
  144    HB1  ALA  19           HB1      ALA  19  52.790   2.632   3.246
  145    HB2  ALA  19           HB2      ALA  19  51.032   2.532   3.147
  146    HB3  ALA  19           HB3      ALA  19  51.817   4.102   3.318
  147    H    ALA  20           HN       ALA  20  53.170   2.386  -0.706
  148    HA   ALA  20           HA       ALA  20  52.763  -0.407  -0.348
  149    HB1  ALA  20           HB1      ALA  20  51.234  -0.720  -2.308
  150    HB2  ALA  20           HB2      ALA  20  50.950   1.021  -2.293
  151    HB3  ALA  20           HB3      ALA  20  50.473   0.036  -0.909
  152    H    LEU  21           HN       LEU  21  55.087   0.663  -0.778
  153    HA   LEU  21           HA       LEU  21  55.776   1.090  -3.528
  154    HB2  LEU  21           HB2      LEU  21  57.368   0.636  -1.001
  155    HB3  LEU  21           HB1      LEU  21  58.162   0.730  -2.572
  156    HG   LEU  21           HG       LEU  21  57.266   2.962  -2.947
  157   HD11  LEU  21          HD11      LEU  21  55.770   2.417  -0.373
  158   HD12  LEU  21          HD12      LEU  21  55.116   2.913  -1.934
  159   HD13  LEU  21          HD13      LEU  21  56.035   4.058  -0.963
  160   HD21  LEU  21          HD21      LEU  21  58.448   4.156  -1.156
  161   HD22  LEU  21          HD22      LEU  21  59.357   2.721  -1.625
  162   HD23  LEU  21          HD23      LEU  21  58.403   2.714  -0.143
  163    H    THR  22           HN       THR  22  54.605  -1.572  -2.207
  164    HA   THR  22           HA       THR  22  56.472  -3.605  -2.893
  165    HB   THR  22           HB       THR  22  54.624  -5.162  -2.623
  166    HG1  THR  22           HG1      THR  22  52.748  -3.206  -2.153
  167   HG21  THR  22          HG21      THR  22  53.896  -4.550  -0.375
  168   HG22  THR  22          HG22      THR  22  54.329  -2.866  -0.667
  169   HG23  THR  22          HG23      THR  22  55.587  -4.099  -0.587
  170    H    HIS  23           HN       HIS  23  57.242  -3.503  -4.955
  171    HA   HIS  23           HA       HIS  23  55.702  -2.880  -7.248
  172    HB2  HIS  23           HB2      HIS  23  58.158  -2.709  -7.197
  173    HB3  HIS  23           HB1      HIS  23  58.277  -4.462  -7.045
  174    HD1  HIS  23           HD1      HIS  23  59.146  -5.183  -9.289
  175    HD2  HIS  23           HD2      HIS  23  56.037  -2.432  -9.645
  176    HE1  HIS  23           HE1      HIS  23  58.583  -5.054 -11.755
  177    H    TYR  24           HN       TYR  24  54.855  -4.220  -8.865
  178    HA   TYR  24           HA       TYR  24  53.624  -6.619  -7.949
  179    HB2  TYR  24           HB2      TYR  24  52.652  -5.105  -9.680
  180    HB3  TYR  24           HB1      TYR  24  53.909  -5.637 -10.797
  181    HD1  TYR  24           HD1      TYR  24  50.899  -6.664  -8.900
  182    HD2  TYR  24           HD2      TYR  24  53.897  -7.882 -11.756
  183    HE1  TYR  24           HE1      TYR  24  49.540  -8.674  -9.468
  184    HE2  TYR  24           HE2      TYR  24  52.538  -9.893 -12.324
  185    HH   TYR  24           HH       TYR  24  50.559 -10.959 -11.991
  186    H    LEU  25           HN       LEU  25  54.275  -8.683  -8.074
  187    HA   LEU  25           HA       LEU  25  56.956  -9.303  -8.845
  188    HB2  LEU  25           HB2      LEU  25  54.583 -10.955  -7.971
  189    HB3  LEU  25           HB1      LEU  25  56.086 -11.719  -8.482
  190    HG   LEU  25           HG       LEU  25  57.322 -10.441  -6.766
  191   HD11  LEU  25          HD11      LEU  25  54.570  -9.307  -6.215
  192   HD12  LEU  25          HD12      LEU  25  56.079  -8.436  -6.493
  193   HD13  LEU  25          HD13      LEU  25  55.831  -9.306  -4.982
  194   HD21  LEU  25          HD21      LEU  25  56.473 -11.665  -4.835
  195   HD22  LEU  25          HD22      LEU  25  56.326 -12.683  -6.267
  196   HD23  LEU  25          HD23      LEU  25  54.904 -11.868  -5.614
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  46.880  28.744   9.468
    2    H2   GLY   1           HT2      GLY   1  47.890  29.416   8.279
    3    H3   GLY   1           HT3      GLY   1  48.513  29.038   9.815
    4    HA2  GLY   1           HA1      GLY   1  47.957  26.703   9.390
    5    HA3  GLY   1           HA2      GLY   1  47.581  27.185   7.742
    6    H    TRP   2           HN       TRP   2  49.318  25.529   7.368
    7    HA   TRP   2           HA       TRP   2  51.757  26.874   6.707
    8    HB2  TRP   2           HB2      TRP   2  53.265  25.516   8.098
    9    HB3  TRP   2           HB1      TRP   2  52.183  26.481   9.101
   10    HD1  TRP   2           HD1      TRP   2  49.799  25.080   9.777
   11    HE1  TRP   2           HE1      TRP   2  49.629  22.662  10.653
   12    HE3  TRP   2           HE3      TRP   2  54.312  23.256   8.187
   13    HZ2  TRP   2           HZ2      TRP   2  51.200  20.256  10.682
   14    HZ3  TRP   2           HZ3      TRP   2  54.955  20.897   8.650
   15    HH2  TRP   2           HH2      TRP   2  53.404  19.396   9.896
   16    H    GLY   3           HN       GLY   3  52.957  23.970   7.180
   17    HA2  GLY   3           HA1      GLY   3  52.511  23.104   4.480
   18    HA3  GLY   3           HA2      GLY   3  53.495  22.294   5.691
   19    H    SER   4           HN       SER   4  50.049  23.155   5.746
   20    HA   SER   4           HA       SER   4  49.262  20.671   6.858
   21    HB2  SER   4           HB2      SER   4  47.025  21.455   6.616
   22    HB3  SER   4           HB1      SER   4  48.004  22.877   6.967
   23    HG   SER   4           HG       SER   4  48.134  22.748   4.435
   24    H    PHE   5           HN       PHE   5  46.924  20.233   5.161
   25    HA   PHE   5           HA       PHE   5  47.807  19.504   2.531
   26    HB2  PHE   5           HB2      PHE   5  47.631  17.062   2.826
   27    HB3  PHE   5           HB1      PHE   5  48.946  17.736   3.789
   28    HD1  PHE   5           HD1      PHE   5  45.507  16.349   3.893
   29    HD2  PHE   5           HD2      PHE   5  48.843  17.787   6.223
   30    HE1  PHE   5           HE1      PHE   5  44.468  15.416   5.957
   31    HE2  PHE   5           HE2      PHE   5  47.804  16.854   8.287
   32    HZ   PHE   5           HZ       PHE   5  45.621  15.659   8.151
   33    H    PHE   6           HN       PHE   6  46.105  18.381   1.316
   34    HA   PHE   6           HA       PHE   6  43.500  18.021   2.455
   35    HB2  PHE   6           HB2      PHE   6  43.619  20.507   2.369
   36    HB3  PHE   6           HB1      PHE   6  43.871  20.404   0.625
   37    HD1  PHE   6           HD1      PHE   6  41.497  19.503   3.372
   38    HD2  PHE   6           HD2      PHE   6  42.025  20.094  -0.871
   39    HE1  PHE   6           HE1      PHE   6  39.035  19.316   3.039
   40    HE2  PHE   6           HE2      PHE   6  39.563  19.907  -1.203
   41    HZ   PHE   6           HZ       PHE   6  38.075  19.452   0.744
   42    H    ARG   7           HN       ARG   7  45.262  18.788  -0.541
   43    HA   ARG   7           HA       ARG   7  44.462  16.309  -1.761
   44    HB2  ARG   7           HB2      ARG   7  42.427  17.814  -2.031
   45    HB3  ARG   7           HB1      ARG   7  43.426  18.835  -3.066
   46    HG2  ARG   7           HG2      ARG   7  43.893  16.855  -4.510
   47    HG3  ARG   7           HG1      ARG   7  42.796  15.901  -3.509
   48    HD2  ARG   7           HD2      ARG   7  41.975  18.449  -4.928
   49    HD3  ARG   7           HD1      ARG   7  41.736  16.838  -5.602
   50    HE   ARG   7           HE       ARG   7  40.630  17.006  -2.941
   51   HH11  ARG   7          HH11      ARG   7  40.103  18.819  -5.742
   52   HH12  ARG   7          HH12      ARG   7  38.409  18.472  -5.849
   53   HH21  ARG   7          HH21      ARG   7  38.455  16.147  -3.277
   54   HH22  ARG   7          HH22      ARG   7  37.476  16.959  -4.452
   55    H    ARG   8           HN       ARG   8  46.922  16.733  -1.423
   56    HA   ARG   8           HA       ARG   8  48.039  17.250  -4.034
   57    HB2  ARG   8           HB2      ARG   8  47.847  19.545  -2.990
   58    HB3  ARG   8           HB1      ARG   8  48.974  18.998  -1.749
   59    HG2  ARG   8           HG2      ARG   8  50.632  18.455  -3.514
   60    HG3  ARG   8           HG1      ARG   8  49.512  19.066  -4.733
   61    HD2  ARG   8           HD2      ARG   8  49.505  21.269  -3.475
   62    HD3  ARG   8           HD1      ARG   8  50.829  20.631  -2.501
   63    HE   ARG   8           HE       ARG   8  51.156  21.765  -5.067
   64   HH11  ARG   8          HH11      ARG   8  51.462  19.113  -6.167
   65   HH12  ARG   8          HH12      ARG   8  53.108  18.697  -5.822
   66   HH21  ARG   8          HH21      ARG   8  53.494  21.142  -3.393
   67   HH22  ARG   8          HH22      ARG   8  54.258  19.846  -4.252
   68    H    ALA   9           HN       ALA   9  50.112  16.392  -4.262
   69    HA   ALA   9           HA       ALA   9  51.819  14.919  -3.835
   70    HB1  ALA   9           HB1      ALA   9  52.365  16.777  -2.208
   71    HB2  ALA   9           HB2      ALA   9  53.008  15.189  -1.792
   72    HB3  ALA   9           HB3      ALA   9  51.580  15.806  -0.963
   73    H    ALA  10           HN       ALA  10  48.778  14.451  -2.861
   74    HA   ALA  10           HA       ALA  10  47.562  12.678  -2.055
   75    HB1  ALA  10           HB1      ALA  10  48.554  11.503  -3.903
   76    HB2  ALA  10           HB2      ALA  10  48.559  10.430  -2.503
   77    HB3  ALA  10           HB3      ALA  10  50.044  11.243  -2.998
   78    H    HIS  11           HN       HIS  11  47.233  12.787   0.086
   79    HA   HIS  11           HA       HIS  11  48.889  11.222   1.854
   80    HB2  HIS  11           HB2      HIS  11  50.130  13.405   1.707
   81    HB3  HIS  11           HB1      HIS  11  48.708  14.196   2.384
   82    HD1  HIS  11           HD1      HIS  11  50.550  10.984   3.341
   83    HD2  HIS  11           HD2      HIS  11  49.207  14.529   5.074
   84    HE1  HIS  11           HE1      HIS  11  51.093  10.825   5.809
   85    H    VAL  12           HN       VAL  12  46.143  13.242   1.197
   86    HA   VAL  12           HA       VAL  12  44.836  13.265   3.654
   87    HB   VAL  12           HB       VAL  12  44.035  14.483   1.628
   88   HG11  VAL  12          HG11      VAL  12  42.872  13.338  -0.128
   89   HG12  VAL  12          HG12      VAL  12  42.905  11.811   0.755
   90   HG13  VAL  12          HG13      VAL  12  44.398  12.482   0.098
   91   HG21  VAL  12          HG21      VAL  12  41.664  14.186   2.090
   92   HG22  VAL  12          HG22      VAL  12  42.556  14.032   3.603
   93   HG23  VAL  12          HG23      VAL  12  41.959  12.591   2.781
   94    H    GLY  13           HN       GLY  13  45.022  10.734   1.205
   95    HA2  GLY  13           HA1      GLY  13  44.778   8.569   2.865
   96    HA3  GLY  13           HA2      GLY  13  43.121   9.004   2.470
   97    H    ARG  14           HN       ARG  14  46.249   8.154   1.044
   98    HA   ARG  14           HA       ARG  14  45.007   6.431  -0.878
   99    HB2  ARG  14           HB2      ARG  14  44.563   8.572  -1.988
  100    HB3  ARG  14           HB1      ARG  14  46.260   9.012  -1.854
  101    HG2  ARG  14           HG2      ARG  14  45.701   8.178  -4.120
  102    HG3  ARG  14           HG1      ARG  14  46.897   7.157  -3.332
  103    HD2  ARG  14           HD2      ARG  14  44.870   6.023  -4.545
  104    HD3  ARG  14           HD1      ARG  14  45.350   5.416  -2.962
  105    HE   ARG  14           HE       ARG  14  43.273   6.158  -2.138
  106   HH11  ARG  14          HH11      ARG  14  41.949   8.123  -1.944
  107   HH12  ARG  14          HH12      ARG  14  41.402   8.824  -3.432
  108   HH21  ARG  14          HH21      ARG  14  43.505   6.909  -5.414
  109   HH22  ARG  14          HH22      ARG  14  42.284   8.136  -5.396
  110    H    HIS  15           HN       HIS  15  47.907   8.330  -0.095
  111    HA   HIS  15           HA       HIS  15  49.761   6.549  -1.305
  112    HB2  HIS  15           HB2      HIS  15  50.302   8.895  -0.766
  113    HB3  HIS  15           HB1      HIS  15  50.195   8.518   0.954
  114    HD1  HIS  15           HD1      HIS  15  52.132   7.205   2.017
  115    HD2  HIS  15           HD2      HIS  15  52.587   7.759  -2.091
  116    HE1  HIS  15           HE1      HIS  15  54.501   6.506   1.458
  117    H    VAL  16           HN       VAL  16  49.588   7.221   2.183
  118    HA   VAL  16           HA       VAL  16  50.788   4.797   2.952
  119    HB   VAL  16           HB       VAL  16  48.883   6.462   4.624
  120   HG11  VAL  16          HG11      VAL  16  50.335   5.567   6.475
  121   HG12  VAL  16          HG12      VAL  16  51.116   4.521   5.289
  122   HG13  VAL  16          HG13      VAL  16  49.399   4.324   5.643
  123   HG21  VAL  16          HG21      VAL  16  51.868   6.736   4.143
  124   HG22  VAL  16          HG22      VAL  16  50.973   7.606   5.389
  125   HG23  VAL  16          HG23      VAL  16  50.623   7.899   3.686
  126    H    GLY  17           HN       GLY  17  47.520   5.572   2.101
  127    HA2  GLY  17           HA1      GLY  17  46.258   3.376   3.414
  128    HA3  GLY  17           HA2      GLY  17  45.570   4.354   2.126
  129    H    ARG  18           HN       ARG  18  46.893   3.948  -0.051
  130    HA   ARG  18           HA       ARG  18  46.256   1.323  -0.869
  131    HB2  ARG  18           HB2      ARG  18  46.354   3.244  -2.415
  132    HB3  ARG  18           HB1      ARG  18  48.102   3.323  -2.196
  133    HG2  ARG  18           HG2      ARG  18  48.405   1.148  -3.182
  134    HG3  ARG  18           HG1      ARG  18  46.666   0.849  -3.187
  135    HD2  ARG  18           HD2      ARG  18  46.314   2.615  -4.817
  136    HD3  ARG  18           HD1      ARG  18  48.013   3.082  -4.733
  137    HE   ARG  18           HE       ARG  18  46.934   0.864  -6.268
  138   HH11  ARG  18          HH11      ARG  18  49.640   2.213  -4.618
  139   HH12  ARG  18          HH12      ARG  18  50.798   1.194  -5.406
  140   HH21  ARG  18          HH21      ARG  18  48.421  -0.534  -7.246
  141   HH22  ARG  18          HH22      ARG  18  50.108  -0.361  -6.896
  142    H    ALA  19           HN       ALA  19  49.467   2.855  -0.518
  143    HA   ALA  19           HA       ALA  19  50.609   0.514   0.679
  144    HB1  ALA  19           HB1      ALA  19  50.560  -0.344  -1.570
  145    HB2  ALA  19           HB2      ALA  19  52.227   0.074  -1.171
  146    HB3  ALA  19           HB3      ALA  19  51.272   1.143  -2.198
  147    H    ALA  20           HN       ALA  20  52.048   1.307   2.057
  148    HA   ALA  20           HA       ALA  20  53.012   3.994   1.877
  149    HB1  ALA  20           HB1      ALA  20  52.614   2.938   4.034
  150    HB2  ALA  20           HB2      ALA  20  54.309   3.402   3.890
  151    HB3  ALA  20           HB3      ALA  20  53.836   1.716   3.682
  152    H    LEU  21           HN       LEU  21  54.348   0.817   1.146
  153    HA   LEU  21           HA       LEU  21  57.027   1.773   0.697
  154    HB2  LEU  21           HB2      LEU  21  55.842  -0.806  -0.342
  155    HB3  LEU  21           HB1      LEU  21  57.531  -0.452   0.012
  156    HG   LEU  21           HG       LEU  21  55.295  -0.578   2.062
  157   HD11  LEU  21          HD11      LEU  21  56.282  -2.664   2.764
  158   HD12  LEU  21          HD12      LEU  21  57.627  -2.466   1.640
  159   HD13  LEU  21          HD13      LEU  21  56.001  -2.768   1.027
  160   HD21  LEU  21          HD21      LEU  21  56.925   0.952   2.891
  161   HD22  LEU  21          HD22      LEU  21  58.265   0.002   2.246
  162   HD23  LEU  21          HD23      LEU  21  57.351  -0.589   3.634
  163    H    THR  22           HN       THR  22  54.974   0.084  -1.670
  164    HA   THR  22           HA       THR  22  54.690   0.399  -3.922
  165    HB   THR  22           HB       THR  22  55.084   3.337  -3.264
  166    HG1  THR  22           HG1      THR  22  53.454   2.245  -2.027
  167   HG21  THR  22          HG21      THR  22  53.482   3.543  -5.244
  168   HG22  THR  22          HG22      THR  22  53.831   1.848  -5.581
  169   HG23  THR  22          HG23      THR  22  55.128   3.044  -5.631
  170    H    HIS  23           HN       HIS  23  56.867   3.163  -3.465
  171    HA   HIS  23           HA       HIS  23  58.833   3.700  -4.540
  172    HB2  HIS  23           HB2      HIS  23  59.573   2.133  -2.744
  173    HB3  HIS  23           HB1      HIS  23  59.477   0.813  -3.908
  174    HD1  HIS  23           HD1      HIS  23  61.882   0.291  -4.407
  175    HD2  HIS  23           HD2      HIS  23  61.149   4.393  -4.456
  176    HE1  HIS  23           HE1      HIS  23  64.002   1.388  -5.252
  177    H    TYR  24           HN       TYR  24  56.621   2.131  -6.101
  178    HA   TYR  24           HA       TYR  24  56.313   1.337  -8.236
  179    HB2  TYR  24           HB2      TYR  24  58.820   2.980  -8.644
  180    HB3  TYR  24           HB1      TYR  24  57.848   2.310  -9.954
  181    HD1  TYR  24           HD1      TYR  24  55.602   3.164 -10.444
  182    HD2  TYR  24           HD2      TYR  24  57.965   4.795  -7.223
  183    HE1  TYR  24           HE1      TYR  24  54.051   5.109 -10.291
  184    HE2  TYR  24           HE2      TYR  24  56.414   6.740  -7.070
  185    HH   TYR  24           HH       TYR  24  53.595   6.915  -7.932
  186    H    LEU  25           HN       LEU  25  56.629  -0.864  -7.760
  187    HA   LEU  25           HA       LEU  25  59.235  -2.069  -7.760
  188    HB2  LEU  25           HB2      LEU  25  56.623  -3.516  -8.224
  189    HB3  LEU  25           HB1      LEU  25  58.100  -4.131  -7.479
  190    HG   LEU  25           HG       LEU  25  56.257  -2.010  -6.335
  191   HD11  LEU  25          HD11      LEU  25  56.922  -4.828  -5.428
  192   HD12  LEU  25          HD12      LEU  25  55.407  -4.323  -6.176
  193   HD13  LEU  25          HD13      LEU  25  55.856  -3.704  -4.586
  194   HD21  LEU  25          HD21      LEU  25  58.458  -1.404  -5.643
  195   HD22  LEU  25          HD22      LEU  25  58.944  -3.086  -5.430
  196   HD23  LEU  25          HD23      LEU  25  57.812  -2.343  -4.300
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1  49.449  21.174   3.965
    2    H2   GLY   1           HT2      GLY   1  49.945  19.592   4.342
    3    H3   GLY   1           HT3      GLY   1  51.094  20.835   4.193
    4    HA2  GLY   1           HA1      GLY   1  50.718  20.313   6.469
    5    HA3  GLY   1           HA2      GLY   1  50.194  21.946   6.082
    6    H    TRP   2           HN       TRP   2  47.917  22.337   5.783
    7    HA   TRP   2           HA       TRP   2  45.965  20.334   6.364
    8    HB2  TRP   2           HB2      TRP   2  46.906  20.609   8.630
    9    HB3  TRP   2           HB1      TRP   2  46.556  22.336   8.557
   10    HD1  TRP   2           HD1      TRP   2  44.262  23.053   9.393
   11    HE1  TRP   2           HE1      TRP   2  42.036  21.863   9.919
   12    HE3  TRP   2           HE3      TRP   2  45.389  18.331   7.765
   13    HZ2  TRP   2           HZ2      TRP   2  40.872  19.245   9.684
   14    HZ3  TRP   2           HZ3      TRP   2  43.706  16.504   7.926
   15    HH2  TRP   2           HH2      TRP   2  41.450  16.956   8.883
   16    H    GLY   3           HN       GLY   3  46.892  23.694   6.070
   17    HA2  GLY   3           HA1      GLY   3  44.430  24.963   6.038
   18    HA3  GLY   3           HA2      GLY   3  45.828  25.481   5.105
   19    H    SER   4           HN       SER   4  45.466  22.522   3.977
   20    HA   SER   4           HA       SER   4  43.110  22.667   2.375
   21    HB2  SER   4           HB2      SER   4  44.336  24.442   1.232
   22    HB3  SER   4           HB1      SER   4  45.732  23.385   1.042
   23    HG   SER   4           HG       SER   4  43.163  23.177  -0.126
   24    H    PHE   5           HN       PHE   5  42.875  20.834   0.996
   25    HA   PHE   5           HA       PHE   5  44.937  18.881   0.688
   26    HB2  PHE   5           HB2      PHE   5  43.939  17.129   2.116
   27    HB3  PHE   5           HB1      PHE   5  44.497  18.505   3.068
   28    HD1  PHE   5           HD1      PHE   5  41.549  16.680   1.803
   29    HD2  PHE   5           HD2      PHE   5  42.907  20.075   4.097
   30    HE1  PHE   5           HE1      PHE   5  39.249  16.986   2.713
   31    HE2  PHE   5           HE2      PHE   5  40.608  20.380   5.007
   32    HZ   PHE   5           HZ       PHE   5  38.791  18.803   4.356
   33    H    PHE   6           HN       PHE   6  44.367  17.299  -0.777
   34    HA   PHE   6           HA       PHE   6  41.638  16.753  -1.486
   35    HB2  PHE   6           HB2      PHE   6  42.132  19.016  -2.567
   36    HB3  PHE   6           HB1      PHE   6  43.282  18.168  -3.598
   37    HD1  PHE   6           HD1      PHE   6  42.531  16.950  -5.518
   38    HD2  PHE   6           HD2      PHE   6  39.698  18.208  -2.514
   39    HE1  PHE   6           HE1      PHE   6  40.651  16.233  -6.989
   40    HE2  PHE   6           HE2      PHE   6  37.821  17.492  -3.985
   41    HZ   PHE   6           HZ       PHE   6  38.299  16.441  -6.192
   42    H    ARG   7           HN       ARG   7  43.688  15.113  -0.657
   43    HA   ARG   7           HA       ARG   7  44.815  13.188  -1.180
   44    HB2  ARG   7           HB2      ARG   7  42.468  12.761  -2.141
   45    HB3  ARG   7           HB1      ARG   7  43.173  13.113  -3.718
   46    HG2  ARG   7           HG2      ARG   7  44.818  11.313  -3.410
   47    HG3  ARG   7           HG1      ARG   7  44.182  10.987  -1.799
   48    HD2  ARG   7           HD2      ARG   7  41.948  10.512  -2.849
   49    HD3  ARG   7           HD1      ARG   7  42.714  10.666  -4.429
   50    HE   ARG   7           HE       ARG   7  44.210   8.787  -2.902
   51   HH11  ARG   7          HH11      ARG   7  41.375   8.009  -2.172
   52   HH12  ARG   7          HH12      ARG   7  41.003   6.859  -3.412
   53   HH21  ARG   7          HH21      ARG   7  43.632   7.817  -5.460
   54   HH22  ARG   7          HH22      ARG   7  42.281   6.750  -5.274
   55    H    ARG   8           HN       ARG   8  46.325  15.313  -1.727
   56    HA   ARG   8           HA       ARG   8  47.227  15.408  -4.464
   57    HB2  ARG   8           HB2      ARG   8  48.485  16.491  -1.931
   58    HB3  ARG   8           HB1      ARG   8  48.999  16.875  -3.573
   59    HG2  ARG   8           HG2      ARG   8  46.811  17.851  -4.066
   60    HG3  ARG   8           HG1      ARG   8  46.226  17.401  -2.463
   61    HD2  ARG   8           HD2      ARG   8  48.078  18.811  -1.485
   62    HD3  ARG   8           HD1      ARG   8  48.422  19.383  -3.118
   63    HE   ARG   8           HE       ARG   8  45.638  19.750  -2.560
   64   HH11  ARG   8          HH11      ARG   8  45.049  21.951  -2.501
   65   HH12  ARG   8          HH12      ARG   8  46.137  23.090  -1.782
   66   HH21  ARG   8          HH21      ARG   8  48.663  20.765  -1.290
   67   HH22  ARG   8          HH22      ARG   8  48.184  22.418  -1.096
   68    H    ALA   9           HN       ALA   9  47.809  13.385  -1.784
   69    HA   ALA   9           HA       ALA   9  49.293  11.679  -1.385
   70    HB1  ALA   9           HB1      ALA   9  49.787  11.756  -4.360
   71    HB2  ALA   9           HB2      ALA   9  48.353  11.029  -3.634
   72    HB3  ALA   9           HB3      ALA   9  49.951  10.378  -3.273
   73    H    ALA  10           HN       ALA  10  50.652  13.281  -0.287
   74    HA   ALA  10           HA       ALA  10  53.354  13.152  -1.223
   75    HB1  ALA  10           HB1      ALA  10  51.977  15.841  -1.233
   76    HB2  ALA  10           HB2      ALA  10  52.630  14.992  -2.634
   77    HB3  ALA  10           HB3      ALA  10  53.717  15.595  -1.383
   78    H    HIS  11           HN       HIS  11  50.952  14.392   1.003
   79    HA   HIS  11           HA       HIS  11  52.537  13.739   3.277
   80    HB2  HIS  11           HB2      HIS  11  52.764  16.068   4.159
   81    HB3  HIS  11           HB1      HIS  11  53.764  15.753   2.742
   82    HD1  HIS  11           HD1      HIS  11  50.044  16.504   2.714
   83    HD2  HIS  11           HD2      HIS  11  53.628  18.306   1.587
   84    HE1  HIS  11           HE1      HIS  11  49.421  18.565   1.383
   85    H    VAL  12           HN       VAL  12  49.697  14.280   1.777
   86    HA   VAL  12           HA       VAL  12  48.102  15.383   3.882
   87    HB   VAL  12           HB       VAL  12  46.171  14.548   2.552
   88   HG11  VAL  12          HG11      VAL  12  48.287  15.807   0.785
   89   HG12  VAL  12          HG12      VAL  12  47.388  16.698   2.013
   90   HG13  VAL  12          HG13      VAL  12  46.538  15.981   0.643
   91   HG21  VAL  12          HG21      VAL  12  47.102  12.457   1.733
   92   HG22  VAL  12          HG22      VAL  12  48.383  13.316   0.879
   93   HG23  VAL  12          HG23      VAL  12  46.710  13.469   0.342
   94    H    GLY  13           HN       GLY  13  49.565  12.370   3.418
   95    HA2  GLY  13           HA1      GLY  13  48.744  11.269   5.826
   96    HA3  GLY  13           HA2      GLY  13  47.638  10.657   4.602
   97    H    ARG  14           HN       ARG  14  50.816  10.499   5.925
   98    HA   ARG  14           HA       ARG  14  52.024   8.984   3.816
   99    HB2  ARG  14           HB2      ARG  14  53.792   8.526   5.489
  100    HB3  ARG  14           HB1      ARG  14  53.402  10.242   5.382
  101    HG2  ARG  14           HG2      ARG  14  51.795   9.859   7.339
  102    HG3  ARG  14           HG1      ARG  14  52.552   8.276   7.522
  103    HD2  ARG  14           HD2      ARG  14  53.702   9.770   9.012
  104    HD3  ARG  14           HD1      ARG  14  54.785   9.475   7.651
  105    HE   ARG  14           HE       ARG  14  54.658  11.776   7.197
  106   HH11  ARG  14          HH11      ARG  14  52.523  12.839   6.208
  107   HH12  ARG  14          HH12      ARG  14  51.507  13.462   7.465
  108   HH21  ARG  14          HH21      ARG  14  53.059  11.651   9.982
  109   HH22  ARG  14          HH22      ARG  14  51.811  12.790   9.602
  110    H    HIS  15           HN       HIS  15  51.920   6.873   3.400
  111    HA   HIS  15           HA       HIS  15  50.156   5.182   4.954
  112    HB2  HIS  15           HB2      HIS  15  50.198   5.044   2.498
  113    HB3  HIS  15           HB1      HIS  15  51.891   4.551   2.553
  114    HD1  HIS  15           HD1      HIS  15  49.303   3.300   4.999
  115    HD2  HIS  15           HD2      HIS  15  51.498   1.883   1.752
  116    HE1  HIS  15           HE1      HIS  15  48.903   0.800   4.899
  117    H    VAL  16           HN       VAL  16  53.551   4.884   3.905
  118    HA   VAL  16           HA       VAL  16  54.333   3.830   6.519
  119    HB   VAL  16           HB       VAL  16  55.459   1.848   5.468
  120   HG11  VAL  16          HG11      VAL  16  53.477   0.477   5.407
  121   HG12  VAL  16          HG12      VAL  16  52.466   1.862   4.997
  122   HG13  VAL  16          HG13      VAL  16  53.196   1.747   6.598
  123   HG21  VAL  16          HG21      VAL  16  55.528   2.671   3.155
  124   HG22  VAL  16          HG22      VAL  16  53.766   2.666   3.084
  125   HG23  VAL  16          HG23      VAL  16  54.647   1.145   3.222
  126    H    GLY  17           HN       GLY  17  54.813   5.866   4.091
  127    HA2  GLY  17           HA1      GLY  17  57.331   6.742   4.824
  128    HA3  GLY  17           HA2      GLY  17  57.577   5.623   3.488
  129    H    ARG  18           HN       ARG  18  55.117   8.094   4.218
  130    HA   ARG  18           HA       ARG  18  54.243   9.787   2.935
  131    HB2  ARG  18           HB2      ARG  18  57.158   9.850   2.138
  132    HB3  ARG  18           HB1      ARG  18  55.995  11.017   1.511
  133    HG2  ARG  18           HG2      ARG  18  57.145  11.906   3.503
  134    HG3  ARG  18           HG1      ARG  18  55.424  11.698   3.812
  135    HD2  ARG  18           HD2      ARG  18  55.772   9.800   5.170
  136    HD3  ARG  18           HD1      ARG  18  57.382   9.504   4.509
  137    HE   ARG  18           HE       ARG  18  56.755  11.281   6.714
  138   HH11  ARG  18          HH11      ARG  18  59.231   9.797   5.107
  139   HH12  ARG  18          HH12      ARG  18  60.380  11.084   5.273
  140   HH21  ARG  18          HH21      ARG  18  58.051  13.362   6.463
  141   HH22  ARG  18          HH22      ARG  18  59.710  13.102   6.040
  142    H    ALA  19           HN       ALA  19  53.178   7.757   1.915
  143    HA   ALA  19           HA       ALA  19  53.146   8.165  -0.926
  144    HB1  ALA  19           HB1      ALA  19  53.816   5.922  -1.591
  145    HB2  ALA  19           HB2      ALA  19  54.137   5.498   0.091
  146    HB3  ALA  19           HB3      ALA  19  55.130   6.710  -0.719
  147    H    ALA  20           HN       ALA  20  51.886   5.938  -1.802
  148    HA   ALA  20           HA       ALA  20  49.860   4.993  -0.011
  149    HB1  ALA  20           HB1      ALA  20  49.006   6.977  -2.122
  150    HB2  ALA  20           HB2      ALA  20  49.081   7.317  -0.392
  151    HB3  ALA  20           HB3      ALA  20  47.953   6.108  -1.006
  152    H    LEU  21           HN       LEU  21  49.034   3.130  -0.774
  153    HA   LEU  21           HA       LEU  21  48.793   1.300  -2.146
  154    HB2  LEU  21           HB2      LEU  21  48.464   3.281  -4.402
  155    HB3  LEU  21           HB1      LEU  21  47.707   1.698  -4.215
  156    HG   LEU  21           HG       LEU  21  47.183   4.155  -2.516
  157   HD11  LEU  21          HD11      LEU  21  44.924   4.006  -3.500
  158   HD12  LEU  21          HD12      LEU  21  45.434   2.617  -4.461
  159   HD13  LEU  21          HD13      LEU  21  46.148   4.204  -4.755
  160   HD21  LEU  21          HD21      LEU  21  46.244   1.282  -2.295
  161   HD22  LEU  21          HD22      LEU  21  45.327   2.615  -1.590
  162   HD23  LEU  21          HD23      LEU  21  46.970   2.293  -1.043
  163    H    THR  22           HN       THR  22  51.237   1.189  -1.691
  164    HA   THR  22           HA       THR  22  53.046   1.844  -3.806
  165    HB   THR  22           HB       THR  22  54.709   0.647  -2.551
  166    HG1  THR  22           HG1      THR  22  53.877  -1.229  -1.968
  167   HG21  THR  22          HG21      THR  22  53.771   2.776  -1.558
  168   HG22  THR  22          HG22      THR  22  54.527   1.693  -0.390
  169   HG23  THR  22          HG23      THR  22  52.769   1.767  -0.514
  170    H    HIS  23           HN       HIS  23  54.436  -0.779  -3.692
  171    HA   HIS  23           HA       HIS  23  54.613  -2.631  -5.042
  172    HB2  HIS  23           HB2      HIS  23  51.647  -2.799  -4.455
  173    HB3  HIS  23           HB1      HIS  23  52.641  -4.107  -5.098
  174    HD1  HIS  23           HD1      HIS  23  54.955  -2.678  -2.984
  175    HD2  HIS  23           HD2      HIS  23  51.486  -4.855  -2.224
  176    HE1  HIS  23           HE1      HIS  23  55.167  -3.558  -0.619
  177    H    TYR  24           HN       TYR  24  54.253  -0.134  -6.375
  178    HA   TYR  24           HA       TYR  24  52.313  -0.282  -8.440
  179    HB2  TYR  24           HB2      TYR  24  53.595   1.498  -9.510
  180    HB3  TYR  24           HB1      TYR  24  53.459   1.815  -7.780
  181    HD1  TYR  24           HD1      TYR  24  55.394   1.599  -6.286
  182    HD2  TYR  24           HD2      TYR  24  55.726   0.792 -10.513
  183    HE1  TYR  24           HE1      TYR  24  57.878   1.649  -6.101
  184    HE2  TYR  24           HE2      TYR  24  58.211   0.841 -10.327
  185    HH   TYR  24           HH       TYR  24  59.879   0.417  -8.611
  186    H    LEU  25           HN       LEU  25  52.627  -0.741 -10.681
  187    HA   LEU  25           HA       LEU  25  54.148  -3.118 -11.151
  188    HB2  LEU  25           HB2      LEU  25  52.506  -1.290 -12.910
  189    HB3  LEU  25           HB1      LEU  25  53.405  -2.646 -13.587
  190    HG   LEU  25           HG       LEU  25  52.195  -4.219 -12.183
  191   HD11  LEU  25          HD11      LEU  25  50.223  -3.258 -10.813
  192   HD12  LEU  25          HD12      LEU  25  51.049  -1.705 -10.950
  193   HD13  LEU  25          HD13      LEU  25  51.841  -3.059 -10.143
  194   HD21  LEU  25          HD21      LEU  25  49.910  -3.876 -13.088
  195   HD22  LEU  25          HD22      LEU  25  51.143  -3.559 -14.308
  196   HD23  LEU  25          HD23      LEU  25  50.334  -2.214 -13.502
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1  49.173  30.354   2.366
    2    H2   GLY   1           HT2      GLY   1  48.049  30.296   3.640
    3    H3   GLY   1           HT3      GLY   1  47.859  29.289   2.285
    4    HA2  GLY   1           HA1      GLY   1  48.946  27.738   3.308
    5    HA3  GLY   1           HA2      GLY   1  50.361  28.777   3.225
    6    H    TRP   2           HN       TRP   2  48.393  27.089   5.272
    7    HA   TRP   2           HA       TRP   2  49.622  28.240   7.617
    8    HB2  TRP   2           HB2      TRP   2  47.743  29.807   7.276
    9    HB3  TRP   2           HB1      TRP   2  46.616  28.451   7.295
   10    HD1  TRP   2           HD1      TRP   2  49.443  29.776   9.596
   11    HE1  TRP   2           HE1      TRP   2  48.666  29.530  12.042
   12    HE3  TRP   2           HE3      TRP   2  44.859  27.624   8.843
   13    HZ2  TRP   2           HZ2      TRP   2  46.394  28.548  13.501
   14    HZ3  TRP   2           HZ3      TRP   2  43.405  27.040  10.778
   15    HH2  TRP   2           HH2      TRP   2  44.168  27.500  13.105
   16    H    GLY   3           HN       GLY   3  50.363  26.013   7.576
   17    HA2  GLY   3           HA1      GLY   3  50.350  23.919   8.515
   18    HA3  GLY   3           HA2      GLY   3  48.833  24.344   9.294
   19    H    SER   4           HN       SER   4  48.664  24.849   5.977
   20    HA   SER   4           HA       SER   4  46.681  22.900   5.554
   21    HB2  SER   4           HB2      SER   4  48.429  24.356   3.559
   22    HB3  SER   4           HB1      SER   4  47.005  23.409   3.139
   23    HG   SER   4           HG       SER   4  46.679  25.277   5.157
   24    H    PHE   5           HN       PHE   5  50.156  22.894   4.853
   25    HA   PHE   5           HA       PHE   5  50.183  20.386   3.511
   26    HB2  PHE   5           HB2      PHE   5  51.997  22.065   3.316
   27    HB3  PHE   5           HB1      PHE   5  52.431  21.761   4.999
   28    HD1  PHE   5           HD1      PHE   5  52.569  20.493   1.561
   29    HD2  PHE   5           HD2      PHE   5  53.293  19.525   5.704
   30    HE1  PHE   5           HE1      PHE   5  53.940  18.531   0.864
   31    HE2  PHE   5           HE2      PHE   5  54.663  17.564   5.007
   32    HZ   PHE   5           HZ       PHE   5  54.930  17.030   2.588
   33    H    PHE   6           HN       PHE   6  49.495  18.577   4.469
   34    HA   PHE   6           HA       PHE   6  50.873  17.479   6.704
   35    HB2  PHE   6           HB2      PHE   6  49.434  19.114   7.905
   36    HB3  PHE   6           HB1      PHE   6  48.012  18.327   7.221
   37    HD1  PHE   6           HD1      PHE   6  50.923  17.885   9.490
   38    HD2  PHE   6           HD2      PHE   6  47.230  16.184   8.041
   39    HE1  PHE   6           HE1      PHE   6  50.991  16.185  11.311
   40    HE2  PHE   6           HE2      PHE   6  47.299  14.485   9.863
   41    HZ   PHE   6           HZ       PHE   6  49.175  14.489  11.502
   42    H    ARG   7           HN       ARG   7  47.725  17.452   5.036
   43    HA   ARG   7           HA       ARG   7  48.150  14.858   3.942
   44    HB2  ARG   7           HB2      ARG   7  47.647  14.359   6.395
   45    HB3  ARG   7           HB1      ARG   7  46.018  14.959   6.084
   46    HG2  ARG   7           HG2      ARG   7  45.880  13.293   4.174
   47    HG3  ARG   7           HG1      ARG   7  47.394  12.607   4.760
   48    HD2  ARG   7           HD2      ARG   7  45.628  11.310   5.742
   49    HD3  ARG   7           HD1      ARG   7  46.271  12.337   7.023
   50    HE   ARG   7           HE       ARG   7  44.067  13.635   5.689
   51   HH11  ARG   7          HH11      ARG   7  42.618  14.226   7.427
   52   HH12  ARG   7          HH12      ARG   7  42.133  12.968   8.514
   53   HH21  ARG   7          HH21      ARG   7  44.438  10.675   7.308
   54   HH22  ARG   7          HH22      ARG   7  43.165  10.957   8.448
   55    H    ARG   8           HN       ARG   8  47.587  16.927   2.509
   56    HA   ARG   8           HA       ARG   8  44.837  16.504   1.588
   57    HB2  ARG   8           HB2      ARG   8  45.913  19.240   2.327
   58    HB3  ARG   8           HB1      ARG   8  44.400  18.938   1.473
   59    HG2  ARG   8           HG2      ARG   8  43.715  17.486   3.454
   60    HG3  ARG   8           HG1      ARG   8  45.117  18.138   4.304
   61    HD2  ARG   8           HD2      ARG   8  44.265  20.413   4.035
   62    HD3  ARG   8           HD1      ARG   8  42.898  19.814   3.095
   63    HE   ARG   8           HE       ARG   8  41.847  19.347   5.141
   64   HH11  ARG   8          HH11      ARG   8  43.948  21.055   6.541
   65   HH12  ARG   8          HH12      ARG   8  44.505  19.963   7.766
   66   HH21  ARG   8          HH21      ARG   8  43.132  17.157   6.263
   67   HH22  ARG   8          HH22      ARG   8  44.043  17.756   7.608
   68    H    ALA   9           HN       ALA   9  48.043  17.865   1.151
   69    HA   ALA   9           HA       ALA   9  47.791  18.783  -1.492
   70    HB1  ALA   9           HB1      ALA   9  49.722  19.183   0.077
   71    HB2  ALA   9           HB2      ALA   9  50.178  18.750  -1.571
   72    HB3  ALA   9           HB3      ALA   9  50.263  17.545  -0.285
   73    H    ALA  10           HN       ALA  10  46.968  17.568  -3.082
   74    HA   ALA  10           HA       ALA  10  46.617  15.807  -4.516
   75    HB1  ALA  10           HB1      ALA  10  49.501  15.293  -3.778
   76    HB2  ALA  10           HB2      ALA  10  48.914  16.262  -5.130
   77    HB3  ALA  10           HB3      ALA  10  48.652  14.518  -5.114
   78    H    HIS  11           HN       HIS  11  46.321  15.457  -1.485
   79    HA   HIS  11           HA       HIS  11  45.732  13.789  -0.017
   80    HB2  HIS  11           HB2      HIS  11  45.294  12.141  -2.515
   81    HB3  HIS  11           HB1      HIS  11  44.526  11.926  -0.943
   82    HD1  HIS  11           HD1      HIS  11  42.756  13.733  -0.219
   83    HD2  HIS  11           HD2      HIS  11  44.113  14.105  -4.143
   84    HE1  HIS  11           HE1      HIS  11  41.184  15.350  -1.372
   85    H    VAL  12           HN       VAL  12  48.221  13.889   0.286
   86    HA   VAL  12           HA       VAL  12  49.764  11.669  -0.675
   87    HB   VAL  12           HB       VAL  12  50.868  13.769  -0.045
   88   HG11  VAL  12          HG11      VAL  12  50.011  13.112   2.790
   89   HG12  VAL  12          HG12      VAL  12  49.268  14.355   1.784
   90   HG13  VAL  12          HG13      VAL  12  50.956  14.508   2.273
   91   HG21  VAL  12          HG21      VAL  12  52.012  11.501   0.228
   92   HG22  VAL  12          HG22      VAL  12  51.661  11.630   1.952
   93   HG23  VAL  12          HG23      VAL  12  52.703  12.819   1.172
   94    H    GLY  13           HN       GLY  13  50.655   9.968   0.638
   95    HA2  GLY  13           HA1      GLY  13  50.649   8.375   2.307
   96    HA3  GLY  13           HA2      GLY  13  49.563   9.396   3.238
   97    H    ARG  14           HN       ARG  14  47.392   9.653   1.637
   98    HA   ARG  14           HA       ARG  14  46.149   7.071   1.901
   99    HB2  ARG  14           HB2      ARG  14  45.042   9.576   0.615
  100    HB3  ARG  14           HB1      ARG  14  44.122   8.193   1.210
  101    HG2  ARG  14           HG2      ARG  14  45.085   8.643   3.500
  102    HG3  ARG  14           HG1      ARG  14  45.764  10.137   2.854
  103    HD2  ARG  14           HD2      ARG  14  42.838   9.383   3.036
  104    HD3  ARG  14           HD1      ARG  14  43.656  10.702   3.872
  105    HE   ARG  14           HE       ARG  14  44.060  11.211   1.157
  106   HH11  ARG  14          HH11      ARG  14  42.415  12.873   3.150
  107   HH12  ARG  14          HH12      ARG  14  40.892  12.946   2.328
  108   HH21  ARG  14          HH21      ARG  14  41.650  10.365   0.139
  109   HH22  ARG  14          HH22      ARG  14  40.459  11.526   0.622
  110    H    HIS  15           HN       HIS  15  48.349   7.196  -0.009
  111    HA   HIS  15           HA       HIS  15  47.473   7.315  -2.679
  112    HB2  HIS  15           HB2      HIS  15  49.633   5.511  -1.567
  113    HB3  HIS  15           HB1      HIS  15  49.482   6.087  -3.227
  114    HD1  HIS  15           HD1      HIS  15  51.765   6.698  -0.880
  115    HD2  HIS  15           HD2      HIS  15  48.992   9.297  -2.591
  116    HE1  HIS  15           HE1      HIS  15  52.660   9.040  -0.519
  117    H    VAL  16           HN       VAL  16  45.413   6.298  -2.737
  118    HA   VAL  16           HA       VAL  16  43.950   4.556  -3.050
  119    HB   VAL  16           HB       VAL  16  46.404   2.912  -3.737
  120   HG11  VAL  16          HG11      VAL  16  43.553   2.860  -4.777
  121   HG12  VAL  16          HG12      VAL  16  44.205   1.743  -3.579
  122   HG13  VAL  16          HG13      VAL  16  44.847   1.747  -5.222
  123   HG21  VAL  16          HG21      VAL  16  46.596   4.980  -4.974
  124   HG22  VAL  16          HG22      VAL  16  44.882   4.951  -5.387
  125   HG23  VAL  16          HG23      VAL  16  45.977   3.756  -6.082
  126    H    GLY  17           HN       GLY  17  43.936   4.743  -0.565
  127    HA2  GLY  17           HA1      GLY  17  43.871   3.740   1.498
  128    HA3  GLY  17           HA2      GLY  17  43.557   2.272   0.585
  129    H    ARG  18           HN       ARG  18  46.449   4.330   0.854
  130    HA   ARG  18           HA       ARG  18  48.640   3.794   1.301
  131    HB2  ARG  18           HB2      ARG  18  47.286   1.898   3.235
  132    HB3  ARG  18           HB1      ARG  18  48.990   2.350   3.278
  133    HG2  ARG  18           HG2      ARG  18  48.416   4.682   3.658
  134    HG3  ARG  18           HG1      ARG  18  46.699   4.327   3.461
  135    HD2  ARG  18           HD2      ARG  18  46.796   2.824   5.429
  136    HD3  ARG  18           HD1      ARG  18  48.500   3.227   5.640
  137    HE   ARG  18           HE       ARG  18  46.278   4.862   6.480
  138   HH11  ARG  18          HH11      ARG  18  47.397   6.712   4.503
  139   HH12  ARG  18          HH12      ARG  18  48.670   7.502   5.372
  140   HH21  ARG  18          HH21      ARG  18  48.807   5.112   7.879
  141   HH22  ARG  18          HH22      ARG  18  49.470   6.597   7.281
  142    H    ALA  19           HN       ALA  19  48.754   2.870  -0.896
  143    HA   ALA  19           HA       ALA  19  48.347   0.208  -1.567
  144    HB1  ALA  19           HB1      ALA  19  48.921   1.952  -3.195
  145    HB2  ALA  19           HB2      ALA  19  49.999   0.563  -3.338
  146    HB3  ALA  19           HB3      ALA  19  50.554   2.032  -2.532
  147    H    ALA  20           HN       ALA  20  49.859  -1.558  -1.804
  148    HA   ALA  20           HA       ALA  20  51.378  -2.013   0.572
  149    HB1  ALA  20           HB1      ALA  20  51.451  -3.625  -1.977
  150    HB2  ALA  20           HB2      ALA  20  50.173  -3.769  -0.770
  151    HB3  ALA  20           HB3      ALA  20  51.838  -4.172  -0.346
  152    H    LEU  21           HN       LEU  21  53.626  -3.363  -0.287
  153    HA   LEU  21           HA       LEU  21  55.449  -1.194  -0.726
  154    HB2  LEU  21           HB2      LEU  21  55.764  -4.192  -0.509
  155    HB3  LEU  21           HB1      LEU  21  57.133  -3.143  -0.876
  156    HG   LEU  21           HG       LEU  21  56.816  -1.917   1.201
  157   HD11  LEU  21          HD11      LEU  21  54.319  -3.616   1.414
  158   HD12  LEU  21          HD12      LEU  21  54.467  -1.862   1.533
  159   HD13  LEU  21          HD13      LEU  21  55.054  -2.884   2.841
  160   HD21  LEU  21          HD21      LEU  21  56.661  -4.913   1.665
  161   HD22  LEU  21          HD22      LEU  21  57.305  -3.726   2.798
  162   HD23  LEU  21          HD23      LEU  21  58.127  -4.019   1.265
  163    H    THR  22           HN       THR  22  54.322  -0.556  -2.798
  164    HA   THR  22           HA       THR  22  54.391  -2.062  -5.143
  165    HB   THR  22           HB       THR  22  53.169  -0.018  -5.217
  166    HG1  THR  22           HG1      THR  22  55.535   0.568  -6.644
  167   HG21  THR  22          HG21      THR  22  54.238   1.232  -3.469
  168   HG22  THR  22          HG22      THR  22  54.388   2.190  -4.942
  169   HG23  THR  22          HG23      THR  22  55.767   1.265  -4.346
  170    H    HIS  23           HN       HIS  23  55.797  -1.300  -7.100
  171    HA   HIS  23           HA       HIS  23  58.487  -2.073  -6.526
  172    HB2  HIS  23           HB2      HIS  23  57.423  -0.857  -9.083
  173    HB3  HIS  23           HB1      HIS  23  58.858  -1.867  -8.895
  174    HD1  HIS  23           HD1      HIS  23  58.480  -4.414  -8.427
  175    HD2  HIS  23           HD2      HIS  23  54.958  -2.279  -9.064
  176    HE1  HIS  23           HE1      HIS  23  56.661  -6.132  -8.817
  177    H    TYR  24           HN       TYR  24  59.588  -0.209  -8.595
  178    HA   TYR  24           HA       TYR  24  60.803   1.728  -8.658
  179    HB2  TYR  24           HB2      TYR  24  58.457   2.688  -8.567
  180    HB3  TYR  24           HB1      TYR  24  58.688   2.886  -6.831
  181    HD1  TYR  24           HD1      TYR  24  59.534   4.162 -10.154
  182    HD2  TYR  24           HD2      TYR  24  60.515   4.371  -5.957
  183    HE1  TYR  24           HE1      TYR  24  60.776   6.286 -10.551
  184    HE2  TYR  24           HE2      TYR  24  61.755   6.496  -6.352
  185    HH   TYR  24           HH       TYR  24  62.313   8.059  -7.856
  186    H    LEU  25           HN       LEU  25  59.468   2.105  -5.380
  187    HA   LEU  25           HA       LEU  25  61.776   2.957  -4.136
  188    HB2  LEU  25           HB2      LEU  25  59.674   1.169  -2.895
  189    HB3  LEU  25           HB1      LEU  25  60.770   2.242  -2.031
  190    HG   LEU  25           HG       LEU  25  58.824   3.264  -4.121
  191   HD11  LEU  25          HD11      LEU  25  57.345   3.890  -2.236
  192   HD12  LEU  25          HD12      LEU  25  58.419   3.043  -1.123
  193   HD13  LEU  25          HD13      LEU  25  57.537   2.140  -2.356
  194   HD21  LEU  25          HD21      LEU  25  59.134   5.382  -2.718
  195   HD22  LEU  25          HD22      LEU  25  60.544   4.871  -3.635
  196   HD23  LEU  25          HD23      LEU  25  60.456   4.548  -1.905
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1  38.030  19.682   2.253
    2    H2   GLY   1           HT2      GLY   1  38.116  18.330   3.278
    3    H3   GLY   1           HT3      GLY   1  39.392  18.676   2.209
    4    HA2  GLY   1           HA1      GLY   1  40.302  19.544   4.009
    5    HA3  GLY   1           HA2      GLY   1  39.342  20.927   3.502
    6    H    TRP   2           HN       TRP   2  40.179  19.247   6.126
    7    HA   TRP   2           HA       TRP   2  38.043  20.298   7.717
    8    HB2  TRP   2           HB2      TRP   2  36.927  18.283   6.798
    9    HB3  TRP   2           HB1      TRP   2  38.216  17.285   7.471
   10    HD1  TRP   2           HD1      TRP   2  35.599  19.861   8.689
   11    HE1  TRP   2           HE1      TRP   2  34.873  19.205  11.074
   12    HE3  TRP   2           HE3      TRP   2  38.687  15.853   9.472
   13    HZ2  TRP   2           HZ2      TRP   2  35.513  17.235  13.067
   14    HZ3  TRP   2           HZ3      TRP   2  38.612  14.601  11.622
   15    HH2  TRP   2           HH2      TRP   2  37.030  15.288  13.419
   16    H    GLY   3           HN       GLY   3  40.592  20.910   7.989
   17    HA2  GLY   3           HA1      GLY   3  42.151  21.133   9.670
   18    HA3  GLY   3           HA2      GLY   3  41.250  19.954  10.613
   19    H    SER   4           HN       SER   4  41.300  17.783   8.864
   20    HA   SER   4           HA       SER   4  43.946  16.779   9.359
   21    HB2  SER   4           HB2      SER   4  41.715  15.520   7.750
   22    HB3  SER   4           HB1      SER   4  43.119  14.700   8.429
   23    HG   SER   4           HG       SER   4  41.441  14.427   9.851
   24    H    PHE   5           HN       PHE   5  44.906  15.400   7.428
   25    HA   PHE   5           HA       PHE   5  45.835  17.285   5.499
   26    HB2  PHE   5           HB2      PHE   5  47.053  15.368   4.546
   27    HB3  PHE   5           HB1      PHE   5  47.242  15.439   6.298
   28    HD1  PHE   5           HD1      PHE   5  45.989  13.877   7.779
   29    HD2  PHE   5           HD2      PHE   5  45.820  13.565   3.476
   30    HE1  PHE   5           HE1      PHE   5  45.040  11.582   7.981
   31    HE2  PHE   5           HE2      PHE   5  44.871  11.271   3.680
   32    HZ   PHE   5           HZ       PHE   5  44.479  10.279   5.933
   33    H    PHE   6           HN       PHE   6  45.448  17.385   3.281
   34    HA   PHE   6           HA       PHE   6  43.605  15.609   1.967
   35    HB2  PHE   6           HB2      PHE   6  42.072  17.064   3.322
   36    HB3  PHE   6           HB1      PHE   6  42.682  18.455   2.426
   37    HD1  PHE   6           HD1      PHE   6  42.150  18.781   0.058
   38    HD2  PHE   6           HD2      PHE   6  40.709  15.335   2.219
   39    HE1  PHE   6           HE1      PHE   6  40.560  18.284  -1.796
   40    HE2  PHE   6           HE2      PHE   6  39.118  14.837   0.365
   41    HZ   PHE   6           HZ       PHE   6  39.108  16.261  -1.679
   42    H    ARG   7           HN       ARG   7  44.876  18.942   1.872
   43    HA   ARG   7           HA       ARG   7  46.410  18.448  -0.481
   44    HB2  ARG   7           HB2      ARG   7  44.029  18.571  -1.380
   45    HB3  ARG   7           HB1      ARG   7  44.029  20.266  -0.897
   46    HG2  ARG   7           HG2      ARG   7  46.098  20.597  -2.285
   47    HG3  ARG   7           HG1      ARG   7  45.922  18.938  -2.858
   48    HD2  ARG   7           HD2      ARG   7  43.964  21.218  -3.239
   49    HD3  ARG   7           HD1      ARG   7  44.891  20.390  -4.492
   50    HE   ARG   7           HE       ARG   7  42.418  19.437  -3.291
   51   HH11  ARG   7          HH11      ARG   7  42.917  18.843  -6.082
   52   HH12  ARG   7          HH12      ARG   7  43.446  17.194  -6.071
   53   HH21  ARG   7          HH21      ARG   7  44.180  17.176  -2.682
   54   HH22  ARG   7          HH22      ARG   7  44.162  16.249  -4.146
   55    H    ARG   8           HN       ARG   8  47.506  19.366   1.629
   56    HA   ARG   8           HA       ARG   8  47.292  22.107   2.255
   57    HB2  ARG   8           HB2      ARG   8  49.813  20.450   2.451
   58    HB3  ARG   8           HB1      ARG   8  49.363  21.847   3.427
   59    HG2  ARG   8           HG2      ARG   8  47.923  19.176   3.396
   60    HG3  ARG   8           HG1      ARG   8  48.990  19.754   4.673
   61    HD2  ARG   8           HD2      ARG   8  46.867  20.307   5.513
   62    HD3  ARG   8           HD1      ARG   8  47.357  21.818   4.749
   63    HE   ARG   8           HE       ARG   8  45.985  20.286   2.797
   64   HH11  ARG   8          HH11      ARG   8  44.200  21.742   2.222
   65   HH12  ARG   8          HH12      ARG   8  43.080  22.114   3.490
   66   HH21  ARG   8          HH21      ARG   8  45.077  20.798   6.001
   67   HH22  ARG   8          HH22      ARG   8  43.577  21.580   5.631
   68    H    ALA   9           HN       ALA   9  49.835  20.485   0.333
   69    HA   ALA   9           HA       ALA   9  49.802  22.500  -1.698
   70    HB1  ALA   9           HB1      ALA   9  50.915  23.796   0.042
   71    HB2  ALA   9           HB2      ALA   9  52.045  23.415  -1.257
   72    HB3  ALA   9           HB3      ALA   9  52.105  22.514   0.258
   73    H    ALA  10           HN       ALA  10  52.309  20.481  -0.149
   74    HA   ALA  10           HA       ALA  10  52.271  18.539  -2.269
   75    HB1  ALA  10           HB1      ALA  10  54.675  20.359  -2.078
   76    HB2  ALA  10           HB2      ALA  10  53.467  20.419  -3.362
   77    HB3  ALA  10           HB3      ALA  10  54.478  18.986  -3.167
   78    H    HIS  11           HN       HIS  11  52.051  17.118  -0.520
   79    HA   HIS  11           HA       HIS  11  54.540  16.224   0.625
   80    HB2  HIS  11           HB2      HIS  11  53.898  18.087   2.163
   81    HB3  HIS  11           HB1      HIS  11  52.400  17.225   2.517
   82    HD1  HIS  11           HD1      HIS  11  52.600  14.963   3.827
   83    HD2  HIS  11           HD2      HIS  11  56.180  17.063   3.453
   84    HE1  HIS  11           HE1      HIS  11  54.239  13.875   5.422
   85    H    VAL  12           HN       VAL  12  50.995  16.081   0.770
   86    HA   VAL  12           HA       VAL  12  50.830  13.430   1.757
   87    HB   VAL  12           HB       VAL  12  48.904  14.957   1.849
   88   HG11  VAL  12          HG11      VAL  12  48.796  14.647  -1.166
   89   HG12  VAL  12          HG12      VAL  12  49.388  16.083  -0.333
   90   HG13  VAL  12          HG13      VAL  12  47.702  15.597  -0.163
   91   HG21  VAL  12          HG21      VAL  12  48.617  12.429   1.700
   92   HG22  VAL  12          HG22      VAL  12  48.248  12.652  -0.010
   93   HG23  VAL  12          HG23      VAL  12  47.210  13.375   1.219
   94    H    GLY  13           HN       GLY  13  50.729  11.478   0.737
   95    HA2  GLY  13           HA1      GLY  13  50.741   9.930  -0.976
   96    HA3  GLY  13           HA2      GLY  13  50.495  11.238  -2.126
   97    H    ARG  14           HN       ARG  14  52.645  12.836  -1.773
   98    HA   ARG  14           HA       ARG  14  54.728  11.342  -3.055
   99    HB2  ARG  14           HB2      ARG  14  54.737  14.175  -1.987
  100    HB3  ARG  14           HB1      ARG  14  55.940  13.478  -3.072
  101    HG2  ARG  14           HG2      ARG  14  54.218  13.096  -4.775
  102    HG3  ARG  14           HG1      ARG  14  52.982  13.730  -3.689
  103    HD2  ARG  14           HD2      ARG  14  53.665  15.477  -5.259
  104    HD3  ARG  14           HD1      ARG  14  54.189  15.906  -3.631
  105    HE   ARG  14           HE       ARG  14  56.257  14.463  -5.048
  106   HH11  ARG  14          HH11      ARG  14  56.042  17.131  -3.304
  107   HH12  ARG  14          HH12      ARG  14  56.808  18.223  -4.409
  108   HH21  ARG  14          HH21      ARG  14  56.665  16.030  -7.090
  109   HH22  ARG  14          HH22      ARG  14  57.159  17.602  -6.552
  110    H    HIS  15           HN       HIS  15  54.843   9.798  -1.137
  111    HA   HIS  15           HA       HIS  15  55.991  10.584   1.320
  112    HB2  HIS  15           HB2      HIS  15  56.302   7.904  -0.048
  113    HB3  HIS  15           HB1      HIS  15  56.423   8.239   1.679
  114    HD1  HIS  15           HD1      HIS  15  54.077   7.029  -0.728
  115    HD2  HIS  15           HD2      HIS  15  53.779   9.503   2.614
  116    HE1  HIS  15           HE1      HIS  15  51.634   7.039  -0.061
  117    H    VAL  16           HN       VAL  16  58.182   8.657   1.382
  118    HA   VAL  16           HA       VAL  16  60.330  10.388   0.761
  119    HB   VAL  16           HB       VAL  16  61.793   8.481   1.290
  120   HG11  VAL  16          HG11      VAL  16  60.887   7.994   3.562
  121   HG12  VAL  16          HG12      VAL  16  59.350   8.707   3.075
  122   HG13  VAL  16          HG13      VAL  16  60.799   9.708   3.159
  123   HG21  VAL  16          HG21      VAL  16  60.639   6.298   1.907
  124   HG22  VAL  16          HG22      VAL  16  60.650   6.671   0.183
  125   HG23  VAL  16          HG23      VAL  16  59.189   6.936   1.133
  126    H    GLY  17           HN       GLY  17  58.468   8.366  -1.215
  127    HA2  GLY  17           HA1      GLY  17  59.955   9.013  -3.547
  128    HA3  GLY  17           HA2      GLY  17  60.251   7.345  -3.074
  129    H    ARG  18           HN       ARG  18  57.294   9.312  -2.904
  130    HA   ARG  18           HA       ARG  18  55.173   8.921  -3.694
  131    HB2  ARG  18           HB2      ARG  18  56.611   7.570  -5.988
  132    HB3  ARG  18           HB1      ARG  18  54.991   8.266  -6.011
  133    HG2  ARG  18           HG2      ARG  18  56.001  10.494  -5.465
  134    HG3  ARG  18           HG1      ARG  18  57.598   9.762  -5.630
  135    HD2  ARG  18           HD2      ARG  18  57.041  10.811  -7.739
  136    HD3  ARG  18           HD1      ARG  18  56.958   9.063  -7.962
  137    HE   ARG  18           HE       ARG  18  54.683   9.347  -8.469
  138   HH11  ARG  18          HH11      ARG  18  54.961  12.238  -9.008
  139   HH12  ARG  18          HH12      ARG  18  53.849  12.950  -7.886
  140   HH21  ARG  18          HH21      ARG  18  53.614  10.110  -5.909
  141   HH22  ARG  18          HH22      ARG  18  53.086  11.745  -6.132
  142    H    ALA  19           HN       ALA  19  55.433   7.283  -1.758
  143    HA   ALA  19           HA       ALA  19  54.908   5.235  -0.857
  144    HB1  ALA  19           HB1      ALA  19  53.388   4.826  -3.431
  145    HB2  ALA  19           HB2      ALA  19  52.808   5.839  -2.109
  146    HB3  ALA  19           HB3      ALA  19  53.049   4.111  -1.855
  147    H    ALA  20           HN       ALA  20  54.478   2.746  -1.915
  148    HA   ALA  20           HA       ALA  20  56.403   1.970  -3.867
  149    HB1  ALA  20           HB1      ALA  20  58.047   0.917  -2.471
  150    HB2  ALA  20           HB2      ALA  20  57.129   1.301  -1.014
  151    HB3  ALA  20           HB3      ALA  20  57.891   2.592  -1.943
  152    H    LEU  21           HN       LEU  21  56.932  -0.568  -2.307
  153    HA   LEU  21           HA       LEU  21  54.758  -2.081  -3.310
  154    HB2  LEU  21           HB2      LEU  21  56.637  -3.007  -1.131
  155    HB3  LEU  21           HB1      LEU  21  55.837  -3.975  -2.369
  156    HG   LEU  21           HG       LEU  21  58.034  -1.932  -2.812
  157   HD11  LEU  21          HD11      LEU  21  59.374  -3.834  -3.458
  158   HD12  LEU  21          HD12      LEU  21  57.984  -4.913  -3.347
  159   HD13  LEU  21          HD13      LEU  21  58.661  -4.194  -1.886
  160   HD21  LEU  21          HD21      LEU  21  57.884  -2.875  -5.209
  161   HD22  LEU  21          HD22      LEU  21  56.613  -1.758  -4.721
  162   HD23  LEU  21          HD23      LEU  21  56.298  -3.495  -4.744
  163    H    THR  22           HN       THR  22  52.779  -1.521  -2.528
  164    HA   THR  22           HA       THR  22  52.056  -2.470   0.076
  165    HB   THR  22           HB       THR  22  51.791   0.517  -0.365
  166    HG1  THR  22           HG1      THR  22  53.791   0.501   0.262
  167   HG21  THR  22          HG21      THR  22  50.032  -0.430   1.026
  168   HG22  THR  22          HG22      THR  22  51.159   0.459   2.050
  169   HG23  THR  22          HG23      THR  22  51.223  -1.302   1.990
  170    H    HIS  23           HN       HIS  23  50.700  -3.672  -1.404
  171    HA   HIS  23           HA       HIS  23  48.101  -2.499  -1.687
  172    HB2  HIS  23           HB2      HIS  23  47.976  -2.822  -4.177
  173    HB3  HIS  23           HB1      HIS  23  49.020  -1.491  -3.672
  174    HD1  HIS  23           HD1      HIS  23  51.648  -2.000  -3.670
  175    HD2  HIS  23           HD2      HIS  23  49.297  -4.895  -5.530
  176    HE1  HIS  23           HE1      HIS  23  53.218  -3.401  -5.078
  177    H    TYR  24           HN       TYR  24  46.521  -4.050  -2.514
  178    HA   TYR  24           HA       TYR  24  47.053  -6.693  -1.551
  179    HB2  TYR  24           HB2      TYR  24  44.679  -5.700  -3.148
  180    HB3  TYR  24           HB1      TYR  24  44.752  -7.164  -2.167
  181    HD1  TYR  24           HD1      TYR  24  45.021  -7.003   0.326
  182    HD2  TYR  24           HD2      TYR  24  44.324  -3.531  -2.141
  183    HE1  TYR  24           HE1      TYR  24  44.372  -5.698   2.347
  184    HE2  TYR  24           HE2      TYR  24  43.674  -2.227  -0.121
  185    HH   TYR  24           HH       TYR  24  43.147  -3.834   2.966
  186    H    LEU  25           HN       LEU  25  45.203  -7.625  -3.911
  187    HA   LEU  25           HA       LEU  25  45.520  -8.912  -5.781
  188    HB2  LEU  25           HB2      LEU  25  45.738  -6.802  -6.909
  189    HB3  LEU  25           HB1      LEU  25  47.391  -6.598  -6.340
  190    HG   LEU  25           HG       LEU  25  48.180  -8.398  -7.744
  191   HD11  LEU  25          HD11      LEU  25  46.470 -10.045  -7.612
  192   HD12  LEU  25          HD12      LEU  25  46.462  -9.538  -9.299
  193   HD13  LEU  25          HD13      LEU  25  45.233  -8.926  -8.190
  194   HD21  LEU  25          HD21      LEU  25  46.203  -6.687  -9.284
  195   HD22  LEU  25          HD22      LEU  25  47.587  -7.533  -9.975
  196   HD23  LEU  25          HD23      LEU  25  47.840  -6.208  -8.838
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1  44.004  26.556   7.949
    2    H2   GLY   1           HT2      GLY   1  44.158  25.803   9.465
    3    H3   GLY   1           HT3      GLY   1  43.757  24.886   8.092
    4    HA2  GLY   1           HA1      GLY   1  45.911  24.401   8.203
    5    HA3  GLY   1           HA2      GLY   1  45.966  25.847   7.205
    6    H    TRP   2           HN       TRP   2  48.082  24.846   8.844
    7    HA   TRP   2           HA       TRP   2  48.814  27.255  10.185
    8    HB2  TRP   2           HB2      TRP   2  49.051  26.145  12.470
    9    HB3  TRP   2           HB1      TRP   2  47.409  26.551  11.974
   10    HD1  TRP   2           HD1      TRP   2  45.731  24.613  11.529
   11    HE1  TRP   2           HE1      TRP   2  45.822  22.063  11.894
   12    HE3  TRP   2           HE3      TRP   2  50.738  24.039  12.430
   13    HZ2  TRP   2           HZ2      TRP   2  47.764  20.031  12.492
   14    HZ3  TRP   2           HZ3      TRP   2  51.687  21.785  12.895
   15    HH2  TRP   2           HH2      TRP   2  50.206  19.783  12.927
   16    H    GLY   3           HN       GLY   3  49.383  24.148   8.974
   17    HA2  GLY   3           HA1      GLY   3  52.168  24.551   8.726
   18    HA3  GLY   3           HA2      GLY   3  51.850  23.437  10.048
   19    H    SER   4           HN       SER   4  49.509  22.247   8.879
   20    HA   SER   4           HA       SER   4  50.699  20.159   7.407
   21    HB2  SER   4           HB2      SER   4  48.508  19.271   7.186
   22    HB3  SER   4           HB1      SER   4  48.512  20.116   8.731
   23    HG   SER   4           HG       SER   4  47.365  21.748   7.850
   24    H    PHE   5           HN       PHE   5  50.331  19.541   5.194
   25    HA   PHE   5           HA       PHE   5  50.832  21.607   3.340
   26    HB2  PHE   5           HB2      PHE   5  49.874  18.772   2.876
   27    HB3  PHE   5           HB1      PHE   5  50.497  19.848   1.624
   28    HD1  PHE   5           HD1      PHE   5  51.352  17.889   4.647
   29    HD2  PHE   5           HD2      PHE   5  52.869  20.425   1.500
   30    HE1  PHE   5           HE1      PHE   5  53.682  17.238   5.245
   31    HE2  PHE   5           HE2      PHE   5  55.199  19.773   2.099
   32    HZ   PHE   5           HZ       PHE   5  55.603  18.155   3.949
   33    H    PHE   6           HN       PHE   6  48.000  19.433   3.334
   34    HA   PHE   6           HA       PHE   6  46.150  21.649   3.066
   35    HB2  PHE   6           HB2      PHE   6  46.668  19.777   0.743
   36    HB3  PHE   6           HB1      PHE   6  45.263  20.834   0.871
   37    HD1  PHE   6           HD1      PHE   6  45.653  23.361   1.170
   38    HD2  PHE   6           HD2      PHE   6  48.747  20.620  -0.077
   39    HE1  PHE   6           HE1      PHE   6  46.986  25.269   0.279
   40    HE2  PHE   6           HE2      PHE   6  50.077  22.528  -0.969
   41    HZ   PHE   6           HZ       PHE   6  49.191  24.851  -0.803
   42    H    ARG   7           HN       ARG   7  45.604  18.534   1.581
   43    HA   ARG   7           HA       ARG   7  43.348  18.006   3.251
   44    HB2  ARG   7           HB2      ARG   7  44.820  16.192   1.325
   45    HB3  ARG   7           HB1      ARG   7  43.237  15.866   2.033
   46    HG2  ARG   7           HG2      ARG   7  42.367  17.948   0.997
   47    HG3  ARG   7           HG1      ARG   7  43.940  18.214   0.246
   48    HD2  ARG   7           HD2      ARG   7  42.203  15.766  -0.190
   49    HD3  ARG   7           HD1      ARG   7  42.342  17.120  -1.311
   50    HE   ARG   7           HE       ARG   7  44.257  14.976  -1.020
   51   HH11  ARG   7          HH11      ARG   7  43.549  17.291  -3.135
   52   HH12  ARG   7          HH12      ARG   7  45.150  17.907  -3.373
   53   HH21  ARG   7          HH21      ARG   7  46.486  16.222  -0.653
   54   HH22  ARG   7          HH22      ARG   7  46.813  17.304  -1.966
   55    H    ARG   8           HN       ARG   8  46.594  16.572   2.989
   56    HA   ARG   8           HA       ARG   8  46.726  15.997   5.779
   57    HB2  ARG   8           HB2      ARG   8  45.149  14.203   5.006
   58    HB3  ARG   8           HB1      ARG   8  46.437  13.590   3.970
   59    HG2  ARG   8           HG2      ARG   8  47.881  13.262   5.936
   60    HG3  ARG   8           HG1      ARG   8  46.611  13.899   6.982
   61    HD2  ARG   8           HD2      ARG   8  45.104  12.064   6.156
   62    HD3  ARG   8           HD1      ARG   8  46.487  11.383   5.298
   63    HE   ARG   8           HE       ARG   8  47.118  11.799   8.083
   64   HH11  ARG   8          HH11      ARG   8  44.427  10.345   8.016
   65   HH12  ARG   8          HH12      ARG   8  44.946   8.693   8.061
   66   HH21  ARG   8          HH21      ARG   8  48.228   9.424   7.214
   67   HH22  ARG   8          HH22      ARG   8  47.098   8.171   7.607
   68    H    ALA   9           HN       ALA   9  47.892  15.442   2.515
   69    HA   ALA   9           HA       ALA   9  50.613  15.950   3.315
   70    HB1  ALA   9           HB1      ALA   9  50.329  13.551   3.923
   71    HB2  ALA   9           HB2      ALA   9  51.544  13.813   2.672
   72    HB3  ALA   9           HB3      ALA   9  49.947  13.206   2.236
   73    H    ALA  10           HN       ALA  10  51.383  14.210   0.880
   74    HA   ALA  10           HA       ALA  10  51.369  16.313  -1.027
   75    HB1  ALA  10           HB1      ALA  10  53.111  14.597  -0.979
   76    HB2  ALA  10           HB2      ALA  10  52.316  14.637  -2.553
   77    HB3  ALA  10           HB3      ALA  10  51.921  13.365  -1.397
   78    H    HIS  11           HN       HIS  11  49.778  13.115  -1.163
   79    HA   HIS  11           HA       HIS  11  47.352  14.269  -2.254
   80    HB2  HIS  11           HB2      HIS  11  49.121  12.493  -3.954
   81    HB3  HIS  11           HB1      HIS  11  47.443  12.880  -4.330
   82    HD1  HIS  11           HD1      HIS  11  46.919  15.525  -4.625
   83    HD2  HIS  11           HD2      HIS  11  50.924  14.399  -4.852
   84    HE1  HIS  11           HE1      HIS  11  48.154  17.474  -5.667
   85    H    VAL  12           HN       VAL  12  47.005  13.169  -0.067
   86    HA   VAL  12           HA       VAL  12  47.118  10.441   0.373
   87    HB   VAL  12           HB       VAL  12  46.407  12.099   2.086
   88   HG11  VAL  12          HG11      VAL  12  43.708  12.021   0.713
   89   HG12  VAL  12          HG12      VAL  12  44.866  13.330   0.487
   90   HG13  VAL  12          HG13      VAL  12  44.189  13.018   2.085
   91   HG21  VAL  12          HG21      VAL  12  44.324   9.937   1.639
   92   HG22  VAL  12          HG22      VAL  12  44.792  10.655   3.180
   93   HG23  VAL  12          HG23      VAL  12  45.930   9.635   2.300
   94    H    GLY  13           HN       GLY  13  45.606   8.736   0.133
   95    HA2  GLY  13           HA1      GLY  13  43.889   7.547  -0.847
   96    HA3  GLY  13           HA2      GLY  13  43.222   9.061  -1.444
   97    H    ARG  14           HN       ARG  14  45.045  10.094  -3.062
   98    HA   ARG  14           HA       ARG  14  45.212   8.135  -5.252
   99    HB2  ARG  14           HB2      ARG  14  45.609  11.138  -5.206
  100    HB3  ARG  14           HB1      ARG  14  45.669  10.124  -6.650
  101    HG2  ARG  14           HG2      ARG  14  43.337   9.365  -6.157
  102    HG3  ARG  14           HG1      ARG  14  43.287  10.505  -4.812
  103    HD2  ARG  14           HD2      ARG  14  42.255  11.524  -6.778
  104    HD3  ARG  14           HD1      ARG  14  43.764  12.359  -6.407
  105    HE   ARG  14           HE       ARG  14  44.397  10.319  -8.251
  106   HH11  ARG  14          HH11      ARG  14  44.753  13.374  -8.514
  107   HH12  ARG  14          HH12      ARG  14  43.879  13.667  -9.980
  108   HH21  ARG  14          HH21      ARG  14  42.275  10.592  -9.948
  109   HH22  ARG  14          HH22      ARG  14  42.475  12.091 -10.791
  110    H    HIS  15           HN       HIS  15  47.176   8.273  -6.661
  111    HA   HIS  15           HA       HIS  15  49.424   7.870  -6.910
  112    HB2  HIS  15           HB2      HIS  15  49.551  10.201  -4.983
  113    HB3  HIS  15           HB1      HIS  15  50.925   9.573  -5.893
  114    HD1  HIS  15           HD1      HIS  15  48.550   9.030  -8.288
  115    HD2  HIS  15           HD2      HIS  15  50.120  12.570  -6.749
  116    HE1  HIS  15           HE1      HIS  15  48.081  10.829 -10.007
  117    H    VAL  16           HN       VAL  16  50.311   9.031  -3.796
  118    HA   VAL  16           HA       VAL  16  51.592   6.667  -3.020
  119    HB   VAL  16           HB       VAL  16  51.764   7.667  -0.781
  120   HG11  VAL  16          HG11      VAL  16  52.047   9.683  -3.031
  121   HG12  VAL  16          HG12      VAL  16  53.256   8.491  -2.551
  122   HG13  VAL  16          HG13      VAL  16  52.826   9.803  -1.453
  123   HG21  VAL  16          HG21      VAL  16  49.556   8.555  -0.451
  124   HG22  VAL  16          HG22      VAL  16  49.678   9.566  -1.892
  125   HG23  VAL  16          HG23      VAL  16  50.646   9.940  -0.465
  126    H    GLY  17           HN       GLY  17  48.343   7.864  -2.295
  127    HA2  GLY  17           HA1      GLY  17  47.624   6.011  -0.335
  128    HA3  GLY  17           HA2      GLY  17  46.502   6.822  -1.417
  129    H    ARG  18           HN       ARG  18  46.931   5.867  -3.837
  130    HA   ARG  18           HA       ARG  18  45.820   3.272  -3.780
  131    HB2  ARG  18           HB2      ARG  18  45.590   4.935  -5.656
  132    HB3  ARG  18           HB1      ARG  18  47.253   4.560  -6.112
  133    HG2  ARG  18           HG2      ARG  18  46.666   2.205  -6.432
  134    HG3  ARG  18           HG1      ARG  18  45.015   2.525  -5.903
  135    HD2  ARG  18           HD2      ARG  18  44.702   4.070  -7.801
  136    HD3  ARG  18           HD1      ARG  18  46.353   3.750  -8.333
  137    HE   ARG  18           HE       ARG  18  44.912   1.278  -8.093
  138   HH11  ARG  18          HH11      ARG  18  42.815   2.621  -9.566
  139   HH12  ARG  18          HH12      ARG  18  43.334   2.530 -11.216
  140   HH21  ARG  18          HH21      ARG  18  46.628   1.801 -10.416
  141   HH22  ARG  18          HH22      ARG  18  45.493   2.065 -11.698
  142    H    ALA  19           HN       ALA  19  49.106   4.397  -4.569
  143    HA   ALA  19           HA       ALA  19  50.202   1.853  -5.104
  144    HB1  ALA  19           HB1      ALA  19  51.304   3.944  -5.751
  145    HB2  ALA  19           HB2      ALA  19  52.373   2.944  -4.766
  146    HB3  ALA  19           HB3      ALA  19  51.562   4.338  -4.050
  147    H    ALA  20           HN       ALA  20  51.717   0.639  -3.784
  148    HA   ALA  20           HA       ALA  20  51.974   1.050  -0.986
  149    HB1  ALA  20           HB1      ALA  20  49.657   0.449  -0.846
  150    HB2  ALA  20           HB2      ALA  20  50.601  -0.929  -0.281
  151    HB3  ALA  20           HB3      ALA  20  49.900  -0.944  -1.900
  152    H    LEU  21           HN       LEU  21  51.353  -2.009  -2.673
  153    HA   LEU  21           HA       LEU  21  53.797  -3.163  -1.762
  154    HB2  LEU  21           HB2      LEU  21  52.141  -4.192  -4.070
  155    HB3  LEU  21           HB1      LEU  21  53.128  -5.113  -2.933
  156    HG   LEU  21           HG       LEU  21  50.570  -3.615  -2.288
  157   HD11  LEU  21          HD11      LEU  21  49.647  -5.837  -1.891
  158   HD12  LEU  21          HD12      LEU  21  51.210  -6.580  -2.234
  159   HD13  LEU  21          HD13      LEU  21  50.316  -5.772  -3.522
  160   HD21  LEU  21          HD21      LEU  21  51.941  -3.449  -0.342
  161   HD22  LEU  21          HD22      LEU  21  52.574  -5.083  -0.551
  162   HD23  LEU  21          HD23      LEU  21  50.903  -4.840  -0.041
  163    H    THR  22           HN       THR  22  53.265  -0.869  -4.068
  164    HA   THR  22           HA       THR  22  54.891  -1.718  -6.224
  165    HB   THR  22           HB       THR  22  55.070   0.744  -6.741
  166    HG1  THR  22           HG1      THR  22  54.075   0.804  -4.169
  167   HG21  THR  22          HG21      THR  22  52.341  -0.409  -6.107
  168   HG22  THR  22          HG22      THR  22  53.210  -0.523  -7.638
  169   HG23  THR  22          HG23      THR  22  52.601   1.037  -7.082
  170    H    HIS  23           HN       HIS  23  55.791   1.046  -4.208
  171    HA   HIS  23           HA       HIS  23  58.561   0.675  -4.593
  172    HB2  HIS  23           HB2      HIS  23  58.810   2.355  -2.777
  173    HB3  HIS  23           HB1      HIS  23  57.653   2.854  -4.010
  174    HD1  HIS  23           HD1      HIS  23  57.850   1.628  -0.457
  175    HD2  HIS  23           HD2      HIS  23  54.943   2.934  -3.143
  176    HE1  HIS  23           HE1      HIS  23  55.743   2.005   0.896
  177    H    TYR  24           HN       TYR  24  59.730  -0.963  -3.847
  178    HA   TYR  24           HA       TYR  24  58.985  -2.759  -1.839
  179    HB2  TYR  24           HB2      TYR  24  60.746  -3.164  -3.559
  180    HB3  TYR  24           HB1      TYR  24  61.805  -2.057  -2.686
  181    HD1  TYR  24           HD1      TYR  24  62.846  -2.688  -0.581
  182    HD2  TYR  24           HD2      TYR  24  60.031  -5.315  -2.532
  183    HE1  TYR  24           HE1      TYR  24  63.515  -4.539   0.947
  184    HE2  TYR  24           HE2      TYR  24  60.699  -7.165  -1.003
  185    HH   TYR  24           HH       TYR  24  62.337  -7.846   0.408
  186    H    LEU  25           HN       LEU  25  59.779  -3.057   0.306
  187    HA   LEU  25           HA       LEU  25  59.885  -0.641   1.836
  188    HB2  LEU  25           HB2      LEU  25  60.610  -3.390   2.856
  189    HB3  LEU  25           HB1      LEU  25  59.906  -2.042   3.749
  190    HG   LEU  25           HG       LEU  25  58.557  -3.666   1.570
  191   HD11  LEU  25          HD11      LEU  25  57.927  -3.349   4.521
  192   HD12  LEU  25          HD12      LEU  25  58.745  -4.741   3.813
  193   HD13  LEU  25          HD13      LEU  25  57.075  -4.384   3.376
  194   HD21  LEU  25          HD21      LEU  25  57.714  -1.163   3.058
  195   HD22  LEU  25          HD22      LEU  25  56.535  -2.250   2.322
  196   HD23  LEU  25          HD23      LEU  25  57.733  -1.441   1.317
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1  43.853  26.748   0.652
    2    H2   GLY   1           HT2      GLY   1  43.569  27.957   1.813
    3    H3   GLY   1           HT3      GLY   1  42.297  27.395   0.835
    4    HA2  GLY   1           HA1      GLY   1  42.001  25.540   1.990
    5    HA3  GLY   1           HA2      GLY   1  43.704  25.438   2.414
    6    H    TRP   2           HN       TRP   2  43.015  24.977   4.586
    7    HA   TRP   2           HA       TRP   2  42.895  27.346   6.213
    8    HB2  TRP   2           HB2      TRP   2  40.490  27.023   5.527
    9    HB3  TRP   2           HB1      TRP   2  40.524  25.469   6.358
   10    HD1  TRP   2           HD1      TRP   2  41.013  29.223   7.074
   11    HE1  TRP   2           HE1      TRP   2  40.442  29.664   9.549
   12    HE3  TRP   2           HE3      TRP   2  40.188  24.421   8.648
   13    HZ2  TRP   2           HZ2      TRP   2  39.725  28.178  11.901
   14    HZ3  TRP   2           HZ3      TRP   2  39.561  23.958  11.012
   15    HH2  TRP   2           HH2      TRP   2  39.329  25.829  12.639
   16    H    GLY   3           HN       GLY   3  42.814  23.860   5.874
   17    HA2  GLY   3           HA1      GLY   3  44.786  23.322   7.727
   18    HA3  GLY   3           HA2      GLY   3  43.271  23.247   8.618
   19    H    SER   4           HN       SER   4  44.397  22.162   5.406
   20    HA   SER   4           HA       SER   4  44.171  19.396   6.032
   21    HB2  SER   4           HB2      SER   4  41.756  19.956   5.997
   22    HB3  SER   4           HB1      SER   4  41.933  20.546   4.348
   23    HG   SER   4           HG       SER   4  41.556  18.530   3.862
   24    H    PHE   5           HN       PHE   5  43.741  18.239   3.652
   25    HA   PHE   5           HA       PHE   5  45.103  19.629   1.501
   26    HB2  PHE   5           HB2      PHE   5  46.419  17.316   2.946
   27    HB3  PHE   5           HB1      PHE   5  46.906  17.883   1.350
   28    HD1  PHE   5           HD1      PHE   5  47.014  18.533   4.947
   29    HD2  PHE   5           HD2      PHE   5  47.765  20.226   1.048
   30    HE1  PHE   5           HE1      PHE   5  48.396  20.326   5.991
   31    HE2  PHE   5           HE2      PHE   5  49.145  22.019   2.093
   32    HZ   PHE   5           HZ       PHE   5  49.449  22.078   4.565
   33    H    PHE   6           HN       PHE   6  45.327  18.183  -0.430
   34    HA   PHE   6           HA       PHE   6  43.856  15.717  -0.507
   35    HB2  PHE   6           HB2      PHE   6  42.094  16.572  -2.080
   36    HB3  PHE   6           HB1      PHE   6  41.925  17.160  -0.426
   37    HD1  PHE   6           HD1      PHE   6  42.439  19.490   0.163
   38    HD2  PHE   6           HD2      PHE   6  42.829  18.058  -3.890
   39    HE1  PHE   6           HE1      PHE   6  42.587  21.840  -0.654
   40    HE2  PHE   6           HE2      PHE   6  42.975  20.409  -4.707
   41    HZ   PHE   6           HZ       PHE   6  42.919  22.295  -3.081
   42    H    ARG   7           HN       ARG   7  45.808  18.156  -1.871
   43    HA   ARG   7           HA       ARG   7  45.849  17.264  -4.580
   44    HB2  ARG   7           HB2      ARG   7  48.008  18.750  -3.067
   45    HB3  ARG   7           HB1      ARG   7  47.804  18.675  -4.818
   46    HG2  ARG   7           HG2      ARG   7  45.592  19.777  -4.591
   47    HG3  ARG   7           HG1      ARG   7  45.849  19.901  -2.850
   48    HD2  ARG   7           HD2      ARG   7  47.801  21.311  -3.186
   49    HD3  ARG   7           HD1      ARG   7  47.700  21.095  -4.933
   50    HE   ARG   7           HE       ARG   7  45.222  22.163  -4.094
   51   HH11  ARG   7          HH11      ARG   7  47.710  23.427  -2.506
   52   HH12  ARG   7          HH12      ARG   7  47.813  24.931  -3.359
   53   HH21  ARG   7          HH21      ARG   7  45.711  23.922  -5.927
   54   HH22  ARG   7          HH22      ARG   7  46.680  25.211  -5.295
   55    H    ARG   8           HN       ARG   8  47.063  15.933  -1.716
   56    HA   ARG   8           HA       ARG   8  48.512  14.209  -1.253
   57    HB2  ARG   8           HB2      ARG   8  47.793  13.532  -4.114
   58    HB3  ARG   8           HB1      ARG   8  48.662  12.450  -3.025
   59    HG2  ARG   8           HG2      ARG   8  46.788  12.423  -1.475
   60    HG3  ARG   8           HG1      ARG   8  45.932  13.630  -2.436
   61    HD2  ARG   8           HD2      ARG   8  45.081  11.362  -2.909
   62    HD3  ARG   8           HD1      ARG   8  45.845  12.060  -4.337
   63    HE   ARG   8           HE       ARG   8  47.898  10.656  -3.126
   64   HH11  ARG   8          HH11      ARG   8  45.564   8.951  -2.117
   65   HH12  ARG   8          HH12      ARG   8  45.495   7.731  -3.344
   66   HH21  ARG   8          HH21      ARG   8  47.439   9.512  -5.597
   67   HH22  ARG   8          HH22      ARG   8  46.556   8.049  -5.315
   68    H    ALA   9           HN       ALA   9  49.996  16.304  -1.458
   69    HA   ALA   9           HA       ALA   9  51.881  16.319  -3.615
   70    HB1  ALA   9           HB1      ALA   9  53.132  17.893  -2.142
   71    HB2  ALA   9           HB2      ALA   9  51.937  17.596  -0.879
   72    HB3  ALA   9           HB3      ALA   9  51.449  18.355  -2.395
   73    H    ALA  10           HN       ALA  10  51.877  15.050  -0.309
   74    HA   ALA  10           HA       ALA  10  53.847  13.057  -0.991
   75    HB1  ALA  10           HB1      ALA  10  54.606  15.100   1.096
   76    HB2  ALA  10           HB2      ALA  10  55.218  15.119  -0.557
   77    HB3  ALA  10           HB3      ALA  10  55.581  13.758   0.503
   78    H    HIS  11           HN       HIS  11  51.589  14.547   1.139
   79    HA   HIS  11           HA       HIS  11  51.845  12.981   3.445
   80    HB2  HIS  11           HB2      HIS  11  49.258  13.999   2.250
   81    HB3  HIS  11           HB1      HIS  11  49.565  13.611   3.942
   82    HD1  HIS  11           HD1      HIS  11  48.803  16.504   2.698
   83    HD2  HIS  11           HD2      HIS  11  52.570  15.249   3.966
   84    HE1  HIS  11           HE1      HIS  11  50.115  18.603   3.235
   85    H    VAL  12           HN       VAL  12  49.387  12.524   0.898
   86    HA   VAL  12           HA       VAL  12  48.321  10.645   0.129
   87    HB   VAL  12           HB       VAL  12  50.910   9.256   0.887
   88   HG11  VAL  12          HG11      VAL  12  48.610   8.531  -0.946
   89   HG12  VAL  12          HG12      VAL  12  49.175   7.638   0.467
   90   HG13  VAL  12          HG13      VAL  12  50.173   7.716  -0.985
   91   HG21  VAL  12          HG21      VAL  12  50.025  10.604  -1.685
   92   HG22  VAL  12          HG22      VAL  12  51.492   9.642  -1.505
   93   HG23  VAL  12          HG23      VAL  12  51.314  11.153  -0.614
   94    H    GLY  13           HN       GLY  13  50.281   8.981   2.574
   95    HA2  GLY  13           HA1      GLY  13  48.246   8.862   4.549
   96    HA3  GLY  13           HA2      GLY  13  48.234   7.401   3.573
   97    H    ARG  14           HN       ARG  14  51.332   8.430   3.485
   98    HA   ARG  14           HA       ARG  14  53.264   7.573   4.401
   99    HB2  ARG  14           HB2      ARG  14  51.684   8.078   6.934
  100    HB3  ARG  14           HB1      ARG  14  53.425   7.804   6.860
  101    HG2  ARG  14           HG2      ARG  14  53.634   9.778   5.347
  102    HG3  ARG  14           HG1      ARG  14  51.909  10.083   5.557
  103    HD2  ARG  14           HD2      ARG  14  53.899   9.946   7.839
  104    HD3  ARG  14           HD1      ARG  14  53.352  11.447   7.092
  105    HE   ARG  14           HE       ARG  14  51.075   9.906   7.904
  106   HH11  ARG  14          HH11      ARG  14  49.878  10.925   9.555
  107   HH12  ARG  14          HH12      ARG  14  50.727  11.782  10.798
  108   HH21  ARG  14          HH21      ARG  14  53.838  11.374   9.323
  109   HH22  ARG  14          HH22      ARG  14  52.967  12.037  10.666
  110    H    HIS  15           HN       HIS  15  52.145   5.502   3.368
  111    HA   HIS  15           HA       HIS  15  51.120   3.481   5.029
  112    HB2  HIS  15           HB2      HIS  15  51.052   3.463   2.533
  113    HB3  HIS  15           HB1      HIS  15  52.777   3.102   2.524
  114    HD1  HIS  15           HD1      HIS  15  51.428   1.464   5.393
  115    HD2  HIS  15           HD2      HIS  15  51.365   0.613   1.315
  116    HE1  HIS  15           HE1      HIS  15  50.936  -1.011   5.185
  117    H    VAL  16           HN       VAL  16  54.305   3.142   3.496
  118    HA   VAL  16           HA       VAL  16  55.281   1.609   5.751
  119    HB   VAL  16           HB       VAL  16  57.385   1.464   4.433
  120   HG11  VAL  16          HG11      VAL  16  56.380   0.258   2.475
  121   HG12  VAL  16          HG12      VAL  16  54.808   0.913   2.933
  122   HG13  VAL  16          HG13      VAL  16  55.653  -0.191   4.018
  123   HG21  VAL  16          HG21      VAL  16  57.351   2.420   2.116
  124   HG22  VAL  16          HG22      VAL  16  57.346   3.660   3.368
  125   HG23  VAL  16          HG23      VAL  16  55.852   3.257   2.522
  126    H    GLY  17           HN       GLY  17  54.567   4.289   6.416
  127    HA2  GLY  17           HA1      GLY  17  55.445   5.808   7.933
  128    HA3  GLY  17           HA2      GLY  17  57.047   5.142   7.655
  129    H    ARG  18           HN       ARG  18  55.887   5.621   4.658
  130    HA   ARG  18           HA       ARG  18  56.042   8.444   4.348
  131    HB2  ARG  18           HB2      ARG  18  58.473   7.699   4.900
  132    HB3  ARG  18           HB1      ARG  18  58.486   7.027   3.272
  133    HG2  ARG  18           HG2      ARG  18  57.910   9.246   2.349
  134    HG3  ARG  18           HG1      ARG  18  57.880   9.917   3.979
  135    HD2  ARG  18           HD2      ARG  18  60.247   9.376   4.279
  136    HD3  ARG  18           HD1      ARG  18  60.295   8.609   2.692
  137    HE   ARG  18           HE       ARG  18  60.490  11.445   3.188
  138   HH11  ARG  18          HH11      ARG  18  57.915  11.202   1.647
  139   HH12  ARG  18          HH12      ARG  18  58.471  11.290   0.009
  140   HH21  ARG  18          HH21      ARG  18  61.778  10.633   0.819
  141   HH22  ARG  18          HH22      ARG  18  60.659  10.967  -0.460
  142    H    ALA  19           HN       ALA  19  54.350   6.331   3.489
  143    HA   ALA  19           HA       ALA  19  53.279   5.528   1.622
  144    HB1  ALA  19           HB1      ALA  19  54.586   7.894   0.275
  145    HB2  ALA  19           HB2      ALA  19  53.116   7.987   1.245
  146    HB3  ALA  19           HB3      ALA  19  53.131   7.046  -0.247
  147    H    ALA  20           HN       ALA  20  53.669   4.938  -0.803
  148    HA   ALA  20           HA       ALA  20  56.377   4.436  -1.605
  149    HB1  ALA  20           HB1      ALA  20  56.439   2.064  -1.365
  150    HB2  ALA  20           HB2      ALA  20  54.753   2.008  -0.850
  151    HB3  ALA  20           HB3      ALA  20  55.974   2.719   0.205
  152    H    LEU  21           HN       LEU  21  55.052   1.807  -2.788
  153    HA   LEU  21           HA       LEU  21  54.658   2.695  -5.377
  154    HB2  LEU  21           HB2      LEU  21  53.120   0.373  -4.204
  155    HB3  LEU  21           HB1      LEU  21  53.704   0.570  -5.856
  156    HG   LEU  21           HG       LEU  21  55.383   0.129  -3.369
  157   HD11  LEU  21          HD11      LEU  21  55.077  -1.498  -5.908
  158   HD12  LEU  21          HD12      LEU  21  54.261  -1.857  -4.386
  159   HD13  LEU  21          HD13      LEU  21  56.021  -1.941  -4.486
  160   HD21  LEU  21          HD21      LEU  21  57.279   0.062  -5.118
  161   HD22  LEU  21          HD22      LEU  21  56.654   1.653  -4.695
  162   HD23  LEU  21          HD23      LEU  21  56.155   0.883  -6.201
  163    H    THR  22           HN       THR  22  53.387   4.460  -5.710
  164    HA   THR  22           HA       THR  22  50.869   4.895  -4.464
  165    HB   THR  22           HB       THR  22  50.557   6.661  -6.169
  166    HG1  THR  22           HG1      THR  22  52.981   6.436  -7.315
  167   HG21  THR  22          HG21      THR  22  52.055   6.965  -4.149
  168   HG22  THR  22          HG22      THR  22  52.415   8.033  -5.506
  169   HG23  THR  22          HG23      THR  22  53.424   6.620  -5.204
  170    H    HIS  23           HN       HIS  23  51.875   2.927  -7.078
  171    HA   HIS  23           HA       HIS  23  49.177   1.957  -7.498
  172    HB2  HIS  23           HB2      HIS  23  50.669   3.405  -9.698
  173    HB3  HIS  23           HB1      HIS  23  49.295   2.339  -9.986
  174    HD1  HIS  23           HD1      HIS  23  47.330   3.078  -7.868
  175    HD2  HIS  23           HD2      HIS  23  49.658   5.970  -9.764
  176    HE1  HIS  23           HE1      HIS  23  46.102   5.277  -7.597
  177    H    TYR  24           HN       TYR  24  50.155   0.039  -6.717
  178    HA   TYR  24           HA       TYR  24  52.452  -1.163  -7.828
  179    HB2  TYR  24           HB2      TYR  24  51.610  -3.239  -6.775
  180    HB3  TYR  24           HB1      TYR  24  51.538  -1.864  -5.674
  181    HD1  TYR  24           HD1      TYR  24  49.395  -0.834  -5.055
  182    HD2  TYR  24           HD2      TYR  24  49.572  -4.206  -7.743
  183    HE1  TYR  24           HE1      TYR  24  46.941  -1.176  -4.787
  184    HE2  TYR  24           HE2      TYR  24  47.118  -4.548  -7.475
  185    HH   TYR  24           HH       TYR  24  45.152  -2.345  -5.470
  186    H    LEU  25           HN       LEU  25  51.898  -3.661  -8.630
  187    HA   LEU  25           HA       LEU  25  51.262  -3.395 -11.349
  188    HB2  LEU  25           HB2      LEU  25  51.431  -5.773  -9.494
  189    HB3  LEU  25           HB1      LEU  25  50.991  -5.972 -11.188
  190    HG   LEU  25           HG       LEU  25  53.093  -4.822 -11.851
  191   HD11  LEU  25          HD11      LEU  25  54.850  -4.660  -9.962
  192   HD12  LEU  25          HD12      LEU  25  53.482  -4.737  -8.850
  193   HD13  LEU  25          HD13      LEU  25  53.607  -3.412 -10.009
  194   HD21  LEU  25          HD21      LEU  25  53.477  -7.173  -9.969
  195   HD22  LEU  25          HD22      LEU  25  54.601  -6.676 -11.232
  196   HD23  LEU  25          HD23      LEU  25  53.004  -7.285 -11.664
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1  47.266  24.703  11.718
    2    H2   GLY   1           HT2      GLY   1  48.710  23.815  11.851
    3    H3   GLY   1           HT3      GLY   1  47.895  24.337  13.248
    4    HA2  GLY   1           HA1      GLY   1  47.382  22.106  11.511
    5    HA3  GLY   1           HA2      GLY   1  47.157  22.268  13.248
    6    H    TRP   2           HN       TRP   2  45.923  24.598  10.944
    7    HA   TRP   2           HA       TRP   2  43.312  23.485  10.695
    8    HB2  TRP   2           HB2      TRP   2  43.299  24.133  13.119
    9    HB3  TRP   2           HB1      TRP   2  43.551  25.806  12.625
   10    HD1  TRP   2           HD1      TRP   2  41.446  27.158  12.172
   11    HE1  TRP   2           HE1      TRP   2  38.964  26.620  11.723
   12    HE3  TRP   2           HE3      TRP   2  41.692  22.051  11.933
   13    HZ2  TRP   2           HZ2      TRP   2  37.289  24.319  11.313
   14    HZ3  TRP   2           HZ3      TRP   2  39.640  20.705  11.513
   15    HH2  TRP   2           HH2      TRP   2  37.441  21.833  11.203
   16    H    GLY   3           HN       GLY   3  45.396  24.791   9.104
   17    HA2  GLY   3           HA1      GLY   3  43.725  26.471   7.528
   18    HA3  GLY   3           HA2      GLY   3  44.899  27.422   8.425
   19    H    SER   4           HN       SER   4  46.991  25.437   8.348
   20    HA   SER   4           HA       SER   4  48.186  26.138   5.863
   21    HB2  SER   4           HB2      SER   4  49.463  25.674   7.953
   22    HB3  SER   4           HB1      SER   4  49.027  23.973   7.805
   23    HG   SER   4           HG       SER   4  50.853  24.000   6.700
   24    H    PHE   5           HN       PHE   5  47.714  25.295   3.945
   25    HA   PHE   5           HA       PHE   5  46.210  22.895   3.615
   26    HB2  PHE   5           HB2      PHE   5  47.840  24.345   1.519
   27    HB3  PHE   5           HB1      PHE   5  46.469  23.268   1.251
   28    HD1  PHE   5           HD1      PHE   5  47.523  26.639   2.280
   29    HD2  PHE   5           HD2      PHE   5  44.165  23.958   1.862
   30    HE1  PHE   5           HE1      PHE   5  45.957  28.564   2.507
   31    HE2  PHE   5           HE2      PHE   5  42.600  25.883   2.087
   32    HZ   PHE   5           HZ       PHE   5  43.496  28.187   2.401
   33    H    PHE   6           HN       PHE   6  46.849  20.870   2.925
   34    HA   PHE   6           HA       PHE   6  49.511  20.223   2.147
   35    HB2  PHE   6           HB2      PHE   6  49.820  20.666   4.610
   36    HB3  PHE   6           HB1      PHE   6  48.736  19.311   4.926
   37    HD1  PHE   6           HD1      PHE   6  52.026  20.307   3.540
   38    HD2  PHE   6           HD2      PHE   6  49.426  17.007   4.527
   39    HE1  PHE   6           HE1      PHE   6  53.928  18.722   3.252
   40    HE2  PHE   6           HE2      PHE   6  51.328  15.423   4.241
   41    HZ   PHE   6           HZ       PHE   6  53.598  16.292   3.692
   42    H    ARG   7           HN       ARG   7  46.803  18.794   3.989
   43    HA   ARG   7           HA       ARG   7  46.984  16.285   2.583
   44    HB2  ARG   7           HB2      ARG   7  44.744  17.328   4.332
   45    HB3  ARG   7           HB1      ARG   7  45.043  15.648   3.885
   46    HG2  ARG   7           HG2      ARG   7  47.202  15.701   5.059
   47    HG3  ARG   7           HG1      ARG   7  46.941  17.393   5.483
   48    HD2  ARG   7           HD2      ARG   7  46.340  15.853   7.346
   49    HD3  ARG   7           HD1      ARG   7  44.958  16.794   6.785
   50    HE   ARG   7           HE       ARG   7  43.947  14.766   6.162
   51   HH11  ARG   7          HH11      ARG   7  45.712  13.863   4.060
   52   HH12  ARG   7          HH12      ARG   7  46.443  12.431   4.706
   53   HH21  ARG   7          HH21      ARG   7  45.604  13.167   7.990
   54   HH22  ARG   7          HH22      ARG   7  46.381  12.037   6.932
   55    H    ARG   8           HN       ARG   8  46.728  18.391   0.751
   56    HA   ARG   8           HA       ARG   8  44.451  17.488  -0.760
   57    HB2  ARG   8           HB2      ARG   8  43.407  19.148   0.790
   58    HB3  ARG   8           HB1      ARG   8  44.476  20.383   0.124
   59    HG2  ARG   8           HG2      ARG   8  43.538  20.055  -2.104
   60    HG3  ARG   8           HG1      ARG   8  42.541  18.723  -1.518
   61    HD2  ARG   8           HD2      ARG   8  42.363  21.593  -0.550
   62    HD3  ARG   8           HD1      ARG   8  41.243  20.830  -1.680
   63    HE   ARG   8           HE       ARG   8  41.196  19.146   0.515
   64   HH11  ARG   8          HH11      ARG   8  41.733  22.329   1.181
   65   HH12  ARG   8          HH12      ARG   8  40.218  22.634   1.964
   66   HH21  ARG   8          HH21      ARG   8  38.815  19.609   1.012
   67   HH22  ARG   8          HH22      ARG   8  38.566  21.094   1.868
   68    H    ALA   9           HN       ALA   9  47.213  19.580  -0.330
   69    HA   ALA   9           HA       ALA   9  47.378  20.727  -2.882
   70    HB1  ALA   9           HB1      ALA   9  49.544  19.919  -0.942
   71    HB2  ALA   9           HB2      ALA   9  48.796  21.508  -1.107
   72    HB3  ALA   9           HB3      ALA   9  49.828  20.880  -2.392
   73    H    ALA  10           HN       ALA  10  49.335  17.974  -1.721
   74    HA   ALA  10           HA       ALA  10  48.773  16.371  -4.028
   75    HB1  ALA  10           HB1      ALA  10  51.567  17.495  -3.849
   76    HB2  ALA  10           HB2      ALA  10  50.334  18.124  -4.943
   77    HB3  ALA  10           HB3      ALA  10  50.901  16.462  -5.113
   78    H    HIS  11           HN       HIS  11  50.820  17.075  -1.255
   79    HA   HIS  11           HA       HIS  11  51.833  14.385  -1.010
   80    HB2  HIS  11           HB2      HIS  11  51.824  16.675   0.970
   81    HB3  HIS  11           HB1      HIS  11  52.749  15.182   1.130
   82    HD1  HIS  11           HD1      HIS  11  52.469  16.517  -2.303
   83    HD2  HIS  11           HD2      HIS  11  55.126  16.887   0.888
   84    HE1  HIS  11           HE1      HIS  11  54.595  17.511  -3.254
   85    H    VAL  12           HN       VAL  12  48.971  14.507  -1.176
   86    HA   VAL  12           HA       VAL  12  47.618  14.381   1.256
   87    HB   VAL  12           HB       VAL  12  45.989  12.901   0.092
   88   HG11  VAL  12          HG11      VAL  12  46.028  15.393  -0.242
   89   HG12  VAL  12          HG12      VAL  12  45.353  14.507  -1.610
   90   HG13  VAL  12          HG13      VAL  12  46.999  15.136  -1.691
   91   HG21  VAL  12          HG21      VAL  12  48.137  12.920  -2.050
   92   HG22  VAL  12          HG22      VAL  12  46.480  12.386  -2.328
   93   HG23  VAL  12          HG23      VAL  12  47.508  11.513  -1.192
   94    H    GLY  13           HN       GLY  13  46.477  11.929   1.571
   95    HA2  GLY  13           HA1      GLY  13  48.520  10.499   2.990
   96    HA3  GLY  13           HA2      GLY  13  46.824  10.055   2.866
   97    H    ARG  14           HN       ARG  14  49.658  10.309   0.709
   98    HA   ARG  14           HA       ARG  14  48.771   8.323  -1.102
   99    HB2  ARG  14           HB2      ARG  14  51.601   9.235  -0.522
  100    HB3  ARG  14           HB1      ARG  14  51.066   8.361  -1.958
  101    HG2  ARG  14           HG2      ARG  14  49.626  10.207  -2.610
  102    HG3  ARG  14           HG1      ARG  14  49.991  11.066  -1.113
  103    HD2  ARG  14           HD2      ARG  14  52.307  11.330  -1.751
  104    HD3  ARG  14           HD1      ARG  14  52.088  10.288  -3.157
  105    HE   ARG  14           HE       ARG  14  50.251  12.425  -3.411
  106   HH11  ARG  14          HH11      ARG  14  51.028  13.158  -5.598
  107   HH12  ARG  14          HH12      ARG  14  52.578  13.931  -5.588
  108   HH21  ARG  14          HH21      ARG  14  53.389  12.862  -2.391
  109   HH22  ARG  14          HH22      ARG  14  53.913  13.765  -3.773
  110    H    HIS  15           HN       HIS  15  49.819   8.046   2.068
  111    HA   HIS  15           HA       HIS  15  51.386   5.706   2.021
  112    HB2  HIS  15           HB2      HIS  15  49.481   6.688   4.160
  113    HB3  HIS  15           HB1      HIS  15  50.730   5.462   4.384
  114    HD1  HIS  15           HD1      HIS  15  53.261   6.314   3.888
  115    HD2  HIS  15           HD2      HIS  15  50.402   9.277   4.525
  116    HE1  HIS  15           HE1      HIS  15  54.536   8.449   4.364
  117    H    VAL  16           HN       VAL  16  48.165   6.154   1.149
  118    HA   VAL  16           HA       VAL  16  47.021   3.715   2.061
  119    HB   VAL  16           HB       VAL  16  45.662   5.649   1.262
  120   HG11  VAL  16          HG11      VAL  16  45.493   6.170  -1.069
  121   HG12  VAL  16          HG12      VAL  16  46.456   4.764  -1.524
  122   HG13  VAL  16          HG13      VAL  16  47.217   6.124  -0.698
  123   HG21  VAL  16          HG21      VAL  16  44.764   3.306   1.337
  124   HG22  VAL  16          HG22      VAL  16  45.212   3.121  -0.359
  125   HG23  VAL  16          HG23      VAL  16  43.991   4.306   0.107
  126    H    GLY  17           HN       GLY  17  48.708   4.652  -0.909
  127    HA2  GLY  17           HA1      GLY  17  50.002   2.366  -1.503
  128    HA3  GLY  17           HA2      GLY  17  48.385   2.030  -2.109
  129    H    ARG  18           HN       ARG  18  48.789   5.285  -2.344
  130    HA   ARG  18           HA       ARG  18  49.034   5.200  -5.200
  131    HB2  ARG  18           HB2      ARG  18  47.688   6.894  -3.920
  132    HB3  ARG  18           HB1      ARG  18  49.207   7.623  -3.399
  133    HG2  ARG  18           HG2      ARG  18  49.849   8.024  -5.726
  134    HG3  ARG  18           HG1      ARG  18  48.382   7.224  -6.290
  135    HD2  ARG  18           HD2      ARG  18  47.054   8.941  -4.998
  136    HD3  ARG  18           HD1      ARG  18  48.567   9.796  -4.702
  137    HE   ARG  18           HE       ARG  18  48.465  10.583  -6.917
  138   HH11  ARG  18          HH11      ARG  18  45.510  10.141  -6.928
  139   HH12  ARG  18          HH12      ARG  18  45.292   9.144  -8.328
  140   HH21  ARG  18          HH21      ARG  18  48.640   8.264  -8.547
  141   HH22  ARG  18          HH22      ARG  18  47.065   8.081  -9.244
  142    H    ALA  19           HN       ALA  19  51.217   5.818  -2.530
  143    HA   ALA  19           HA       ALA  19  53.298   7.109  -3.889
  144    HB1  ALA  19           HB1      ALA  19  53.289   6.945  -1.479
  145    HB2  ALA  19           HB2      ALA  19  54.753   6.182  -2.097
  146    HB3  ALA  19           HB3      ALA  19  53.398   5.188  -1.561
  147    H    ALA  20           HN       ALA  20  54.272   4.023  -2.684
  148    HA   ALA  20           HA       ALA  20  54.294   2.584  -5.136
  149    HB1  ALA  20           HB1      ALA  20  56.783   2.657  -5.473
  150    HB2  ALA  20           HB2      ALA  20  56.833   4.011  -4.344
  151    HB3  ALA  20           HB3      ALA  20  55.946   4.161  -5.861
  152    H    LEU  21           HN       LEU  21  57.200   2.515  -3.254
  153    HA   LEU  21           HA       LEU  21  58.109   0.835  -1.966
  154    HB2  LEU  21           HB2      LEU  21  55.396   0.662  -0.651
  155    HB3  LEU  21           HB1      LEU  21  56.988   0.463   0.082
  156    HG   LEU  21           HG       LEU  21  55.807   3.039  -1.000
  157   HD11  LEU  21          HD11      LEU  21  55.796   3.755   1.305
  158   HD12  LEU  21          HD12      LEU  21  56.655   2.302   1.813
  159   HD13  LEU  21          HD13      LEU  21  54.993   2.187   1.235
  160   HD21  LEU  21          HD21      LEU  21  57.944   4.008   0.051
  161   HD22  LEU  21          HD22      LEU  21  58.151   3.137  -1.466
  162   HD23  LEU  21          HD23      LEU  21  58.563   2.357   0.062
  163    H    THR  22           HN       THR  22  56.517   0.088  -4.434
  164    HA   THR  22           HA       THR  22  55.067  -2.253  -4.145
  165    HB   THR  22           HB       THR  22  55.719  -2.814  -6.433
  166    HG1  THR  22           HG1      THR  22  57.360  -1.578  -7.425
  167   HG21  THR  22          HG21      THR  22  55.398   0.160  -5.948
  168   HG22  THR  22          HG22      THR  22  54.105  -1.014  -6.197
  169   HG23  THR  22          HG23      THR  22  55.202  -0.618  -7.520
  170    H    HIS  23           HN       HIS  23  55.924  -4.466  -4.976
  171    HA   HIS  23           HA       HIS  23  58.614  -5.196  -4.383
  172    HB2  HIS  23           HB2      HIS  23  58.162  -6.556  -2.368
  173    HB3  HIS  23           HB1      HIS  23  57.894  -4.838  -2.073
  174    HD1  HIS  23           HD1      HIS  23  55.093  -5.368  -3.946
  175    HD2  HIS  23           HD2      HIS  23  56.140  -6.753  -0.158
  176    HE1  HIS  23           HE1      HIS  23  52.932  -6.028  -2.803
  177    H    TYR  24           HN       TYR  24  56.591  -5.580  -6.435
  178    HA   TYR  24           HA       TYR  24  55.714  -7.227  -7.779
  179    HB2  TYR  24           HB2      TYR  24  57.986  -8.762  -6.493
  180    HB3  TYR  24           HB1      TYR  24  57.087  -9.300  -7.914
  181    HD1  TYR  24           HD1      TYR  24  59.420  -6.740  -6.586
  182    HD2  TYR  24           HD2      TYR  24  57.396  -8.247 -10.088
  183    HE1  TYR  24           HE1      TYR  24  60.881  -5.334  -8.035
  184    HE2  TYR  24           HE2      TYR  24  58.857  -6.841 -11.537
  185    HH   TYR  24           HH       TYR  24  61.592  -5.042 -10.196
  186    H    LEU  25           HN       LEU  25  56.756  -9.663  -5.500
  187    HA   LEU  25           HA       LEU  25  54.084 -10.696  -5.258
  188    HB2  LEU  25           HB2      LEU  25  56.445 -11.512  -3.560
  189    HB3  LEU  25           HB1      LEU  25  55.062 -12.487  -4.055
  190    HG   LEU  25           HG       LEU  25  57.256 -11.428  -5.861
  191   HD11  LEU  25          HD11      LEU  25  56.480 -14.270  -5.144
  192   HD12  LEU  25          HD12      LEU  25  57.813 -13.390  -4.397
  193   HD13  LEU  25          HD13      LEU  25  57.859 -13.767  -6.120
  194   HD21  LEU  25          HD21      LEU  25  54.668 -12.895  -6.441
  195   HD22  LEU  25          HD22      LEU  25  56.033 -12.935  -7.559
  196   HD23  LEU  25          HD23      LEU  25  55.259 -11.401  -7.169
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1  40.735  26.056   3.660
    2    H2   GLY   1           HT2      GLY   1  39.364  26.804   2.993
    3    H3   GLY   1           HT3      GLY   1  39.307  25.169   3.452
    4    HA2  GLY   1           HA1      GLY   1  38.566  27.313   4.930
    5    HA3  GLY   1           HA2      GLY   1  38.762  25.654   5.479
    6    H    TRP   2           HN       TRP   2  41.180  25.066   5.851
    7    HA   TRP   2           HA       TRP   2  42.940  27.170   6.668
    8    HB2  TRP   2           HB2      TRP   2  41.319  27.304   8.519
    9    HB3  TRP   2           HB1      TRP   2  41.561  25.589   8.852
   10    HD1  TRP   2           HD1      TRP   2  44.019  24.843   9.701
   11    HE1  TRP   2           HE1      TRP   2  45.801  26.151  11.028
   12    HE3  TRP   2           HE3      TRP   2  42.333  29.619   8.951
   13    HZ2  TRP   2           HZ2      TRP   2  46.438  28.873  11.692
   14    HZ3  TRP   2           HZ3      TRP   2  43.545  31.555   9.944
   15    HH2  TRP   2           HH2      TRP   2  45.593  31.187  11.312
   16    H    GLY   3           HN       GLY   3  42.028  23.783   7.303
   17    HA2  GLY   3           HA1      GLY   3  44.461  22.780   6.218
   18    HA3  GLY   3           HA2      GLY   3  44.498  22.753   7.976
   19    H    SER   4           HN       SER   4  41.746  22.207   5.808
   20    HA   SER   4           HA       SER   4  40.949  19.859   7.244
   21    HB2  SER   4           HB2      SER   4  39.224  19.671   5.475
   22    HB3  SER   4           HB1      SER   4  39.288  21.287   6.170
   23    HG   SER   4           HG       SER   4  39.869  22.030   4.295
   24    H    PHE   5           HN       PHE   5  42.669  20.488   4.234
   25    HA   PHE   5           HA       PHE   5  42.627  17.865   3.193
   26    HB2  PHE   5           HB2      PHE   5  44.717  20.029   2.846
   27    HB3  PHE   5           HB1      PHE   5  44.547  18.594   1.834
   28    HD1  PHE   5           HD1      PHE   5  42.936  21.779   2.874
   29    HD2  PHE   5           HD2      PHE   5  42.795  18.420   0.165
   30    HE1  PHE   5           HE1      PHE   5  41.226  22.960   1.498
   31    HE2  PHE   5           HE2      PHE   5  41.085  19.601  -1.209
   32    HZ   PHE   5           HZ       PHE   5  40.344  21.894  -0.575
   33    H    PHE   6           HN       PHE   6  44.948  16.801   2.806
   34    HA   PHE   6           HA       PHE   6  46.774  16.827   4.995
   35    HB2  PHE   6           HB2      PHE   6  44.851  15.695   6.091
   36    HB3  PHE   6           HB1      PHE   6  44.915  14.441   4.852
   37    HD1  PHE   6           HD1      PHE   6  46.638  12.735   4.866
   38    HD2  PHE   6           HD2      PHE   6  46.754  16.008   7.680
   39    HE1  PHE   6           HE1      PHE   6  48.422  11.565   6.155
   40    HE2  PHE   6           HE2      PHE   6  48.537  14.836   8.968
   41    HZ   PHE   6           HZ       PHE   6  49.315  12.581   8.247
   42    H    ARG   7           HN       ARG   7  45.340  14.653   2.556
   43    HA   ARG   7           HA       ARG   7  47.843  13.381   1.952
   44    HB2  ARG   7           HB2      ARG   7  45.236  13.425   0.411
   45    HB3  ARG   7           HB1      ARG   7  46.595  12.347   0.092
   46    HG2  ARG   7           HG2      ARG   7  46.371  11.310   2.265
   47    HG3  ARG   7           HG1      ARG   7  45.156  12.492   2.754
   48    HD2  ARG   7           HD2      ARG   7  44.016  10.448   2.105
   49    HD3  ARG   7           HD1      ARG   7  43.696  11.680   0.884
   50    HE   ARG   7           HE       ARG   7  44.910  10.381  -0.672
   51   HH11  ARG   7          HH11      ARG   7  47.465   9.827  -0.084
   52   HH12  ARG   7          HH12      ARG   7  47.538   8.251   0.630
   53   HH21  ARG   7          HH21      ARG   7  44.158   8.152   1.399
   54   HH22  ARG   7          HH22      ARG   7  45.667   7.303   1.470
   55    H    ARG   8           HN       ARG   8  47.020  16.449   1.489
   56    HA   ARG   8           HA       ARG   8  48.698  16.729  -0.923
   57    HB2  ARG   8           HB2      ARG   8  46.038  18.137  -0.566
   58    HB3  ARG   8           HB1      ARG   8  47.153  18.326  -1.919
   59    HG2  ARG   8           HG2      ARG   8  46.898  15.861  -2.376
   60    HG3  ARG   8           HG1      ARG   8  45.631  15.822  -1.149
   61    HD2  ARG   8           HD2      ARG   8  44.322  17.467  -2.402
   62    HD3  ARG   8           HD1      ARG   8  45.606  17.604  -3.604
   63    HE   ARG   8           HE       ARG   8  44.959  14.893  -3.567
   64   HH11  ARG   8          HH11      ARG   8  42.353  16.663  -2.930
   65   HH12  ARG   8          HH12      ARG   8  41.589  16.547  -4.480
   66   HH21  ARG   8          HH21      ARG   8  44.395  15.259  -6.060
   67   HH22  ARG   8          HH22      ARG   8  42.746  15.752  -6.254
   68    H    ALA   9           HN       ALA   9  48.183  17.458   2.212
   69    HA   ALA   9           HA       ALA   9  48.518  20.241   2.406
   70    HB1  ALA   9           HB1      ALA   9  49.314  19.798   4.675
   71    HB2  ALA   9           HB2      ALA   9  49.515  18.090   4.280
   72    HB3  ALA   9           HB3      ALA   9  47.903  18.807   4.304
   73    H    ALA  10           HN       ALA  10  50.834  17.634   1.927
   74    HA   ALA  10           HA       ALA  10  52.790  19.396   0.840
   75    HB1  ALA  10           HB1      ALA  10  53.145  19.991   3.172
   76    HB2  ALA  10           HB2      ALA  10  54.524  19.071   2.570
   77    HB3  ALA  10           HB3      ALA  10  53.324  18.289   3.600
   78    H    HIS  11           HN       HIS  11  51.851  17.362  -0.447
   79    HA   HIS  11           HA       HIS  11  52.311  15.355  -1.472
   80    HB2  HIS  11           HB2      HIS  11  55.131  15.810  -0.482
   81    HB3  HIS  11           HB1      HIS  11  54.623  14.898  -1.903
   82    HD1  HIS  11           HD1      HIS  11  53.771  16.265  -3.966
   83    HD2  HIS  11           HD2      HIS  11  55.119  18.637  -0.815
   84    HE1  HIS  11           HE1      HIS  11  54.051  18.604  -4.898
   85    H    VAL  12           HN       VAL  12  51.622  15.409   1.439
   86    HA   VAL  12           HA       VAL  12  53.087  13.401   2.803
   87    HB   VAL  12           HB       VAL  12  50.176  14.142   3.218
   88   HG11  VAL  12          HG11      VAL  12  52.285  12.852   4.972
   89   HG12  VAL  12          HG12      VAL  12  50.787  12.119   4.398
   90   HG13  VAL  12          HG13      VAL  12  50.732  13.433   5.572
   91   HG21  VAL  12          HG21      VAL  12  52.723  15.352   4.342
   92   HG22  VAL  12          HG22      VAL  12  51.103  15.705   4.944
   93   HG23  VAL  12          HG23      VAL  12  51.551  16.157   3.299
   94    H    GLY  13           HN       GLY  13  50.536  13.299   0.437
   95    HA2  GLY  13           HA1      GLY  13  49.650  10.646   0.938
   96    HA3  GLY  13           HA2      GLY  13  49.384  11.568  -0.536
   97    H    ARG  14           HN       ARG  14  50.916  11.460  -2.218
   98    HA   ARG  14           HA       ARG  14  52.049   8.937  -2.674
   99    HB2  ARG  14           HB2      ARG  14  52.866  11.551  -3.962
  100    HB3  ARG  14           HB1      ARG  14  53.093   9.934  -4.624
  101    HG2  ARG  14           HG2      ARG  14  50.677   9.604  -4.752
  102    HG3  ARG  14           HG1      ARG  14  50.398  11.170  -3.987
  103    HD2  ARG  14           HD2      ARG  14  50.147  11.313  -6.445
  104    HD3  ARG  14           HD1      ARG  14  51.490  12.303  -5.877
  105    HE   ARG  14           HE       ARG  14  52.374   9.646  -6.618
  106   HH11  ARG  14          HH11      ARG  14  52.980  12.810  -7.190
  107   HH12  ARG  14          HH12      ARG  14  53.233  12.680  -8.897
  108   HH21  ARG  14          HH21      ARG  14  52.030   9.432  -9.094
  109   HH22  ARG  14          HH22      ARG  14  52.697  10.766  -9.976
  110    H    HIS  15           HN       HIS  15  54.625   9.542  -3.684
  111    HA   HIS  15           HA       HIS  15  56.811   9.388  -2.990
  112    HB2  HIS  15           HB2      HIS  15  55.834  11.622  -1.198
  113    HB3  HIS  15           HB1      HIS  15  57.531  11.188  -1.407
  114    HD1  HIS  15           HD1      HIS  15  54.625  12.745  -3.200
  115    HD2  HIS  15           HD2      HIS  15  58.606  11.804  -3.996
  116    HE1  HIS  15           HE1      HIS  15  55.237  13.967  -5.331
  117    H    VAL  16           HN       VAL  16  56.051  10.461   0.217
  118    HA   VAL  16           HA       VAL  16  57.303   8.395   1.556
  119    HB   VAL  16           HB       VAL  16  54.875   9.879   2.607
  120   HG11  VAL  16          HG11      VAL  16  55.581   8.023   4.020
  121   HG12  VAL  16          HG12      VAL  16  56.061   9.537   4.783
  122   HG13  VAL  16          HG13      VAL  16  57.259   8.557   3.937
  123   HG21  VAL  16          HG21      VAL  16  56.546  11.515   3.468
  124   HG22  VAL  16          HG22      VAL  16  56.503  11.476   1.705
  125   HG23  VAL  16          HG23      VAL  16  57.807  10.666   2.575
  126    H    GLY  17           HN       GLY  17  53.850   8.677   0.741
  127    HA2  GLY  17           HA1      GLY  17  53.179   6.116   1.853
  128    HA3  GLY  17           HA2      GLY  17  52.138   7.139   0.872
  129    H    ARG  18           HN       ARG  18  53.969   7.351  -1.345
  130    HA   ARG  18           HA       ARG  18  53.143   5.176  -2.900
  131    HB2  ARG  18           HB2      ARG  18  53.922   7.365  -3.797
  132    HB3  ARG  18           HB1      ARG  18  55.572   6.924  -3.359
  133    HG2  ARG  18           HG2      ARG  18  55.569   5.063  -4.880
  134    HG3  ARG  18           HG1      ARG  18  53.836   5.222  -5.166
  135    HD2  ARG  18           HD2      ARG  18  55.934   7.282  -5.911
  136    HD3  ARG  18           HD1      ARG  18  55.132   6.185  -7.035
  137    HE   ARG  18           HE       ARG  18  54.044   8.654  -6.134
  138   HH11  ARG  18          HH11      ARG  18  53.023   6.929  -8.420
  139   HH12  ARG  18          HH12      ARG  18  51.432   6.533  -7.861
  140   HH21  ARG  18          HH21      ARG  18  52.065   7.462  -4.580
  141   HH22  ARG  18          HH22      ARG  18  50.888   6.837  -5.688
  142    H    ALA  19           HN       ALA  19  56.436   5.843  -1.681
  143    HA   ALA  19           HA       ALA  19  57.489   3.319  -2.403
  144    HB1  ALA  19           HB1      ALA  19  58.912   5.255  -1.964
  145    HB2  ALA  19           HB2      ALA  19  59.353   3.911  -0.910
  146    HB3  ALA  19           HB3      ALA  19  58.407   5.257  -0.274
  147    H    ALA  20           HN       ALA  20  56.099   1.689  -1.694
  148    HA   ALA  20           HA       ALA  20  56.596   0.693   0.927
  149    HB1  ALA  20           HB1      ALA  20  53.837   1.802   0.389
  150    HB2  ALA  20           HB2      ALA  20  54.992   2.406   1.576
  151    HB3  ALA  20           HB3      ALA  20  54.280   0.805   1.774
  152    H    LEU  21           HN       LEU  21  54.948  -1.203   1.366
  153    HA   LEU  21           HA       LEU  21  55.233  -3.045  -0.758
  154    HB2  LEU  21           HB2      LEU  21  53.252  -3.301   1.512
  155    HB3  LEU  21           HB1      LEU  21  54.056  -4.592   0.622
  156    HG   LEU  21           HG       LEU  21  55.421  -2.585   2.444
  157   HD11  LEU  21          HD11      LEU  21  54.921  -5.561   2.763
  158   HD12  LEU  21          HD12      LEU  21  54.064  -4.285   3.629
  159   HD13  LEU  21          HD13      LEU  21  55.790  -4.531   3.901
  160   HD21  LEU  21          HD21      LEU  21  57.362  -4.264   2.096
  161   HD22  LEU  21          HD22      LEU  21  57.010  -3.163   0.769
  162   HD23  LEU  21          HD23      LEU  21  56.454  -4.835   0.696
  163    H    THR  22           HN       THR  22  54.303  -2.182  -2.625
  164    HA   THR  22           HA       THR  22  51.603  -1.268  -2.748
  165    HB   THR  22           HB       THR  22  53.224  -0.566  -4.450
  166    HG1  THR  22           HG1      THR  22  50.827  -1.384  -4.881
  167   HG21  THR  22          HG21      THR  22  53.206  -3.435  -5.414
  168   HG22  THR  22          HG22      THR  22  54.481  -2.768  -4.395
  169   HG23  THR  22          HG23      THR  22  54.205  -2.109  -6.007
  170    H    HIS  23           HN       HIS  23  49.796  -2.307  -3.699
  171    HA   HIS  23           HA       HIS  23  49.599  -5.112  -3.063
  172    HB2  HIS  23           HB2      HIS  23  47.260  -4.836  -3.953
  173    HB3  HIS  23           HB1      HIS  23  47.677  -3.736  -2.640
  174    HD1  HIS  23           HD1      HIS  23  45.567  -2.433  -3.975
  175    HD2  HIS  23           HD2      HIS  23  49.317  -2.427  -5.794
  176    HE1  HIS  23           HE1      HIS  23  45.554  -0.524  -5.639
  177    H    TYR  24           HN       TYR  24  51.528  -5.264  -4.778
  178    HA   TYR  24           HA       TYR  24  52.249  -6.113  -6.789
  179    HB2  TYR  24           HB2      TYR  24  49.439  -7.239  -6.791
  180    HB3  TYR  24           HB1      TYR  24  50.757  -7.787  -7.828
  181    HD1  TYR  24           HD1      TYR  24  52.625  -9.086  -6.938
  182    HD2  TYR  24           HD2      TYR  24  49.491  -7.629  -4.350
  183    HE1  TYR  24           HE1      TYR  24  53.436 -10.577  -5.115
  184    HE2  TYR  24           HE2      TYR  24  50.304  -9.121  -2.527
  185    HH   TYR  24           HH       TYR  24  51.572 -11.481  -2.615
  186    H    LEU  25           HN       LEU  25  51.266  -6.495  -9.218
  187    HA   LEU  25           HA       LEU  25  51.213  -4.037 -10.445
  188    HB2  LEU  25           HB2      LEU  25  49.916  -5.349 -12.329
  189    HB3  LEU  25           HB1      LEU  25  51.562  -5.818 -11.917
  190    HG   LEU  25           HG       LEU  25  50.760  -7.626 -10.508
  191   HD11  LEU  25          HD11      LEU  25  48.768  -6.756  -9.527
  192   HD12  LEU  25          HD12      LEU  25  48.233  -8.097 -10.536
  193   HD13  LEU  25          HD13      LEU  25  48.039  -6.438 -11.103
  194   HD21  LEU  25          HD21      LEU  25  50.932  -7.950 -12.997
  195   HD22  LEU  25          HD22      LEU  25  49.200  -7.632 -13.108
  196   HD23  LEU  25          HD23      LEU  25  49.783  -9.038 -12.218
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1  47.252  17.172   7.545
    2    H2   GLY   1           HT2      GLY   1  45.921  16.839   6.543
    3    H3   GLY   1           HT3      GLY   1  47.005  15.600   6.963
    4    HA2  GLY   1           HA1      GLY   1  45.964  15.160   8.801
    5    HA3  GLY   1           HA2      GLY   1  45.970  16.860   9.249
    6    H    TRP   2           HN       TRP   2  44.246  18.209   8.540
    7    HA   TRP   2           HA       TRP   2  41.966  17.054   7.172
    8    HB2  TRP   2           HB2      TRP   2  41.814  17.754  10.115
    9    HB3  TRP   2           HB1      TRP   2  40.407  17.503   9.081
   10    HD1  TRP   2           HD1      TRP   2  40.594  15.019   7.647
   11    HE1  TRP   2           HE1      TRP   2  41.146  12.717   8.669
   12    HE3  TRP   2           HE3      TRP   2  42.904  16.513  11.966
   13    HZ2  TRP   2           HZ2      TRP   2  42.404  11.637  11.016
   14    HZ3  TRP   2           HZ3      TRP   2  43.771  14.828  13.581
   15    HH2  TRP   2           HH2      TRP   2  43.524  12.394  13.111
   16    H    GLY   3           HN       GLY   3  43.242  19.704   9.154
   17    HA2  GLY   3           HA1      GLY   3  41.399  21.654   8.186
   18    HA3  GLY   3           HA2      GLY   3  42.879  21.972   9.080
   19    H    SER   4           HN       SER   4  44.559  20.537   7.157
   20    HA   SER   4           HA       SER   4  45.197  22.699   5.445
   21    HB2  SER   4           HB2      SER   4  46.719  21.021   4.345
   22    HB3  SER   4           HB1      SER   4  46.929  21.166   6.088
   23    HG   SER   4           HG       SER   4  45.066  19.318   5.138
   24    H    PHE   5           HN       PHE   5  45.662  21.818   2.969
   25    HA   PHE   5           HA       PHE   5  43.476  20.401   1.782
   26    HB2  PHE   5           HB2      PHE   5  42.301  22.496   2.298
   27    HB3  PHE   5           HB1      PHE   5  43.542  23.411   1.442
   28    HD1  PHE   5           HD1      PHE   5  40.892  20.811   1.032
   29    HD2  PHE   5           HD2      PHE   5  43.517  23.603  -0.955
   30    HE1  PHE   5           HE1      PHE   5  39.688  20.418  -1.114
   31    HE2  PHE   5           HE2      PHE   5  42.314  23.208  -3.100
   32    HZ   PHE   5           HZ       PHE   5  40.447  21.561  -3.193
   33    H    PHE   6           HN       PHE   6  46.512  21.747   1.795
   34    HA   PHE   6           HA       PHE   6  47.182  20.621  -0.764
   35    HB2  PHE   6           HB2      PHE   6  46.232  22.812  -1.456
   36    HB3  PHE   6           HB1      PHE   6  47.425  23.622  -0.441
   37    HD1  PHE   6           HD1      PHE   6  49.784  23.704  -1.063
   38    HD2  PHE   6           HD2      PHE   6  46.920  21.559  -3.477
   39    HE1  PHE   6           HE1      PHE   6  51.459  23.537  -2.900
   40    HE2  PHE   6           HE2      PHE   6  48.595  21.392  -5.314
   41    HZ   PHE   6           HZ       PHE   6  50.892  22.303  -4.991
   42    H    ARG   7           HN       ARG   7  48.114  22.734   1.918
   43    HA   ARG   7           HA       ARG   7  50.902  22.558   1.636
   44    HB2  ARG   7           HB2      ARG   7  49.293  22.797   4.192
   45    HB3  ARG   7           HB1      ARG   7  51.000  23.199   3.998
   46    HG2  ARG   7           HG2      ARG   7  50.473  24.971   2.436
   47    HG3  ARG   7           HG1      ARG   7  48.774  24.495   2.402
   48    HD2  ARG   7           HD2      ARG   7  49.327  26.486   3.894
   49    HD3  ARG   7           HD1      ARG   7  48.444  25.172   4.674
   50    HE   ARG   7           HE       ARG   7  51.318  24.869   4.960
   51   HH11  ARG   7          HH11      ARG   7  48.630  26.744   6.010
   52   HH12  ARG   7          HH12      ARG   7  49.187  26.873   7.646
   53   HH21  ARG   7          HH21      ARG   7  51.994  24.905   7.127
   54   HH22  ARG   7          HH22      ARG   7  51.091  25.833   8.278
   55    H    ARG   8           HN       ARG   8  48.657  20.148   2.315
   56    HA   ARG   8           HA       ARG   8  50.706  18.178   2.734
   57    HB2  ARG   8           HB2      ARG   8  50.458  19.136   5.031
   58    HB3  ARG   8           HB1      ARG   8  48.767  18.645   5.014
   59    HG2  ARG   8           HG2      ARG   8  49.458  16.293   4.667
   60    HG3  ARG   8           HG1      ARG   8  51.149  16.792   4.704
   61    HD2  ARG   8           HD2      ARG   8  49.134  16.982   6.957
   62    HD3  ARG   8           HD1      ARG   8  50.590  15.986   6.906
   63    HE   ARG   8           HE       ARG   8  50.502  18.728   7.721
   64   HH11  ARG   8          HH11      ARG   8  52.504  16.160   6.863
   65   HH12  ARG   8          HH12      ARG   8  53.916  17.125   6.593
   66   HH21  ARG   8          HH21      ARG   8  52.238  20.142   6.918
   67   HH22  ARG   8          HH22      ARG   8  53.765  19.381   6.623
   68    H    ALA   9           HN       ALA   9  47.392  18.112   3.995
   69    HA   ALA   9           HA       ALA   9  45.672  16.645   3.529
   70    HB1  ALA   9           HB1      ALA   9  45.220  18.317   1.874
   71    HB2  ALA   9           HB2      ALA   9  44.973  16.742   1.123
   72    HB3  ALA   9           HB3      ALA   9  46.446  17.654   0.793
   73    H    ALA  10           HN       ALA  10  47.059  15.930   0.420
   74    HA   ALA  10           HA       ALA  10  48.300  13.445   1.248
   75    HB1  ALA  10           HB1      ALA  10  45.889  12.868   1.237
   76    HB2  ALA  10           HB2      ALA  10  46.804  11.985   0.014
   77    HB3  ALA  10           HB3      ALA  10  45.804  13.361  -0.455
   78    H    HIS  11           HN       HIS  11  47.640  15.936  -0.974
   79    HA   HIS  11           HA       HIS  11  48.631  14.800  -3.370
   80    HB2  HIS  11           HB2      HIS  11  47.347  16.924  -3.260
   81    HB3  HIS  11           HB1      HIS  11  48.733  17.696  -2.487
   82    HD1  HIS  11           HD1      HIS  11  50.744  18.291  -3.961
   83    HD2  HIS  11           HD2      HIS  11  47.725  16.304  -6.034
   84    HE1  HIS  11           HE1      HIS  11  51.350  18.429  -6.416
   85    H    VAL  12           HN       VAL  12  50.205  16.598  -0.747
   86    HA   VAL  12           HA       VAL  12  52.771  16.765  -1.892
   87    HB   VAL  12           HB       VAL  12  52.035  16.565   1.047
   88   HG11  VAL  12          HG11      VAL  12  54.389  16.158   0.803
   89   HG12  VAL  12          HG12      VAL  12  54.223  17.846   1.281
   90   HG13  VAL  12          HG13      VAL  12  54.548  17.435  -0.403
   91   HG21  VAL  12          HG21      VAL  12  50.899  18.430  -0.069
   92   HG22  VAL  12          HG22      VAL  12  52.421  18.947  -0.796
   93   HG23  VAL  12          HG23      VAL  12  52.198  19.053   0.949
   94    H    GLY  13           HN       GLY  13  53.801  15.027  -2.674
   95    HA2  GLY  13           HA1      GLY  13  54.971  13.052  -2.664
   96    HA3  GLY  13           HA2      GLY  13  54.756  13.004  -0.920
   97    H    ARG  14           HN       ARG  14  52.220  13.100  -3.379
   98    HA   ARG  14           HA       ARG  14  50.608  11.153  -2.227
   99    HB2  ARG  14           HB2      ARG  14  49.898  12.713  -4.030
  100    HB3  ARG  14           HB1      ARG  14  50.846  11.772  -5.181
  101    HG2  ARG  14           HG2      ARG  14  49.487   9.819  -4.834
  102    HG3  ARG  14           HG1      ARG  14  48.667  10.563  -3.460
  103    HD2  ARG  14           HD2      ARG  14  47.583  12.177  -4.881
  104    HD3  ARG  14           HD1      ARG  14  48.559  11.694  -6.268
  105    HE   ARG  14           HE       ARG  14  47.154   9.400  -5.358
  106   HH11  ARG  14          HH11      ARG  14  47.062  10.223  -8.185
  107   HH12  ARG  14          HH12      ARG  14  45.425  10.751  -8.386
  108   HH21  ARG  14          HH21      ARG  14  44.828  11.065  -4.986
  109   HH22  ARG  14          HH22      ARG  14  44.159  11.226  -6.576
  110    H    HIS  15           HN       HIS  15  53.512  10.797  -4.049
  111    HA   HIS  15           HA       HIS  15  53.170   8.203  -5.091
  112    HB2  HIS  15           HB2      HIS  15  55.027   9.749  -5.699
  113    HB3  HIS  15           HB1      HIS  15  55.737   9.469  -4.108
  114    HD1  HIS  15           HD1      HIS  15  54.070   6.703  -6.034
  115    HD2  HIS  15           HD2      HIS  15  57.926   7.954  -5.069
  116    HE1  HIS  15           HE1      HIS  15  55.627   4.836  -6.743
  117    H    VAL  16           HN       VAL  16  55.175   9.056  -2.265
  118    HA   VAL  16           HA       VAL  16  55.111   6.381  -1.245
  119    HB   VAL  16           HB       VAL  16  55.915   8.906   0.228
  120   HG11  VAL  16          HG11      VAL  16  55.629   6.980   1.689
  121   HG12  VAL  16          HG12      VAL  16  57.354   7.286   1.481
  122   HG13  VAL  16          HG13      VAL  16  56.578   5.970   0.598
  123   HG21  VAL  16          HG21      VAL  16  57.623   7.021  -1.430
  124   HG22  VAL  16          HG22      VAL  16  58.184   8.451  -0.563
  125   HG23  VAL  16          HG23      VAL  16  57.110   8.627  -1.951
  126    H    GLY  17           HN       GLY  17  53.457   9.404  -0.438
  127    HA2  GLY  17           HA1      GLY  17  52.218   8.779   1.923
  128    HA3  GLY  17           HA2      GLY  17  51.482   9.773   0.674
  129    H    ARG  18           HN       ARG  18  50.673   8.320  -1.263
  130    HA   ARG  18           HA       ARG  18  48.558   6.740  -0.230
  131    HB2  ARG  18           HB2      ARG  18  48.574   8.021  -2.426
  132    HB3  ARG  18           HB1      ARG  18  49.581   6.731  -3.075
  133    HG2  ARG  18           HG2      ARG  18  47.436   6.008  -3.697
  134    HG3  ARG  18           HG1      ARG  18  47.677   5.136  -2.189
  135    HD2  ARG  18           HD2      ARG  18  46.346   6.765  -0.970
  136    HD3  ARG  18           HD1      ARG  18  46.242   7.805  -2.391
  137    HE   ARG  18           HE       ARG  18  45.178   5.353  -3.203
  138   HH11  ARG  18          HH11      ARG  18  43.276   4.408  -2.127
  139   HH12  ARG  18          HH12      ARG  18  42.162   5.535  -1.426
  140   HH21  ARG  18          HH21      ARG  18  44.313   8.241  -1.702
  141   HH22  ARG  18          HH22      ARG  18  42.750   7.703  -1.184
  142    H    ALA  19           HN       ALA  19  51.390   5.814  -2.200
  143    HA   ALA  19           HA       ALA  19  50.989   3.039  -2.043
  144    HB1  ALA  19           HB1      ALA  19  53.634   4.479  -2.270
  145    HB2  ALA  19           HB2      ALA  19  52.533   4.193  -3.620
  146    HB3  ALA  19           HB3      ALA  19  53.276   2.830  -2.783
  147    H    ALA  20           HN       ALA  20  53.487   2.084  -1.097
  148    HA   ALA  20           HA       ALA  20  53.914   2.859   1.624
  149    HB1  ALA  20           HB1      ALA  20  52.467   0.250   1.157
  150    HB2  ALA  20           HB2      ALA  20  51.737   1.701   1.843
  151    HB3  ALA  20           HB3      ALA  20  53.033   0.873   2.707
  152    H    LEU  21           HN       LEU  21  55.137   0.863   2.753
  153    HA   LEU  21           HA       LEU  21  57.453   0.405   1.110
  154    HB2  LEU  21           HB2      LEU  21  56.909  -0.911   3.774
  155    HB3  LEU  21           HB1      LEU  21  58.462  -0.469   3.063
  156    HG   LEU  21           HG       LEU  21  56.325   1.437   4.068
  157   HD11  LEU  21          HD11      LEU  21  58.097   2.077   5.683
  158   HD12  LEU  21          HD12      LEU  21  59.143   0.824   5.013
  159   HD13  LEU  21          HD13      LEU  21  57.651   0.377   5.842
  160   HD21  LEU  21          HD21      LEU  21  58.924   1.905   2.579
  161   HD22  LEU  21          HD22      LEU  21  58.172   3.159   3.566
  162   HD23  LEU  21          HD23      LEU  21  57.316   2.504   2.173
  163    H    THR  22           HN       THR  22  54.706  -0.873   0.546
  164    HA   THR  22           HA       THR  22  55.732  -3.333  -0.491
  165    HB   THR  22           HB       THR  22  55.445  -4.161   1.774
  166    HG1  THR  22           HG1      THR  22  54.403  -5.864   1.109
  167   HG21  THR  22          HG21      THR  22  53.860  -2.340   2.473
  168   HG22  THR  22          HG22      THR  22  53.360  -3.952   2.988
  169   HG23  THR  22          HG23      THR  22  52.582  -3.186   1.602
  170    H    HIS  23           HN       HIS  23  54.515  -3.986  -2.189
  171    HA   HIS  23           HA       HIS  23  51.694  -3.408  -2.398
  172    HB2  HIS  23           HB2      HIS  23  52.659  -1.208  -2.981
  173    HB3  HIS  23           HB1      HIS  23  53.616  -1.973  -4.249
  174    HD1  HIS  23           HD1      HIS  23  52.496  -2.306  -6.474
  175    HD2  HIS  23           HD2      HIS  23  49.737  -1.529  -3.448
  176    HE1  HIS  23           HE1      HIS  23  50.247  -2.029  -7.607
  177    H    TYR  24           HN       TYR  24  50.742  -4.853  -3.714
  178    HA   TYR  24           HA       TYR  24  52.181  -7.032  -4.767
  179    HB2  TYR  24           HB2      TYR  24  49.803  -7.160  -4.147
  180    HB3  TYR  24           HB1      TYR  24  49.397  -6.078  -5.479
  181    HD1  TYR  24           HD1      TYR  24  49.287  -6.872  -7.758
  182    HD2  TYR  24           HD2      TYR  24  50.791  -9.425  -4.619
  183    HE1  TYR  24           HE1      TYR  24  49.221  -8.820  -9.309
  184    HE2  TYR  24           HE2      TYR  24  50.726 -11.372  -6.171
  185    HH   TYR  24           HH       TYR  24  49.034 -11.731  -8.554
  186    H    LEU  25           HN       LEU  25  52.178  -7.717  -7.066
  187    HA   LEU  25           HA       LEU  25  53.474  -5.808  -8.702
  188    HB2  LEU  25           HB2      LEU  25  52.139  -8.332  -9.700
  189    HB3  LEU  25           HB1      LEU  25  53.541  -7.504 -10.375
  190    HG   LEU  25           HG       LEU  25  53.445  -8.868  -7.666
  191   HD11  LEU  25          HD11      LEU  25  54.962  -9.660 -10.166
  192   HD12  LEU  25          HD12      LEU  25  53.416 -10.368  -9.698
  193   HD13  LEU  25          HD13      LEU  25  54.829 -10.573  -8.664
  194   HD21  LEU  25          HD21      LEU  25  55.596  -7.332  -9.148
  195   HD22  LEU  25          HD22      LEU  25  55.996  -8.507  -7.894
  196   HD23  LEU  25          HD23      LEU  25  55.025  -7.092  -7.497
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1  37.754  23.712   8.179
    2    H2   GLY   1           HT2      GLY   1  38.678  24.010   6.785
    3    H3   GLY   1           HT3      GLY   1  37.839  25.280   7.540
    4    HA2  GLY   1           HA1      GLY   1  39.386  24.217   9.493
    5    HA3  GLY   1           HA2      GLY   1  40.402  24.241   8.059
    6    H    TRP   2           HN       TRP   2  41.089  25.813  10.162
    7    HA   TRP   2           HA       TRP   2  40.015  28.473   9.942
    8    HB2  TRP   2           HB2      TRP   2  41.066  27.520  12.020
    9    HB3  TRP   2           HB1      TRP   2  42.627  27.612  11.204
   10    HD1  TRP   2           HD1      TRP   2  39.660  30.017  11.876
   11    HE1  TRP   2           HE1      TRP   2  40.624  32.342  12.441
   12    HE3  TRP   2           HE3      TRP   2  44.659  29.030  11.388
   13    HZ2  TRP   2           HZ2      TRP   2  43.185  33.626  12.660
   14    HZ3  TRP   2           HZ3      TRP   2  46.345  30.821  11.780
   15    HH2  TRP   2           HH2      TRP   2  45.614  33.115  12.415
   16    H    GLY   3           HN       GLY   3  40.817  27.480   7.416
   17    HA2  GLY   3           HA1      GLY   3  41.788  28.399   5.538
   18    HA3  GLY   3           HA2      GLY   3  42.508  29.639   6.556
   19    H    SER   4           HN       SER   4  43.251  26.752   7.952
   20    HA   SER   4           HA       SER   4  46.003  26.903   7.209
   21    HB2  SER   4           HB2      SER   4  46.337  25.094   8.706
   22    HB3  SER   4           HB1      SER   4  45.021  26.032   9.408
   23    HG   SER   4           HG       SER   4  43.581  24.534   8.714
   24    H    PHE   5           HN       PHE   5  46.471  24.023   7.086
   25    HA   PHE   5           HA       PHE   5  45.169  22.996   4.732
   26    HB2  PHE   5           HB2      PHE   5  47.258  22.949   3.348
   27    HB3  PHE   5           HB1      PHE   5  46.603  24.567   3.593
   28    HD1  PHE   5           HD1      PHE   5  49.419  22.325   4.229
   29    HD2  PHE   5           HD2      PHE   5  47.627  26.100   5.307
   30    HE1  PHE   5           HE1      PHE   5  51.571  23.055   5.253
   31    HE2  PHE   5           HE2      PHE   5  49.777  26.829   6.331
   32    HZ   PHE   5           HZ       PHE   5  51.764  25.328   6.255
   33    H    PHE   6           HN       PHE   6  44.944  20.957   5.377
   34    HA   PHE   6           HA       PHE   6  46.910  19.649   7.067
   35    HB2  PHE   6           HB2      PHE   6  44.421  18.514   5.765
   36    HB3  PHE   6           HB1      PHE   6  45.344  17.791   7.083
   37    HD1  PHE   6           HD1      PHE   6  42.933  20.405   6.146
   38    HD2  PHE   6           HD2      PHE   6  45.362  18.819   9.342
   39    HE1  PHE   6           HE1      PHE   6  41.624  21.733   7.800
   40    HE2  PHE   6           HE2      PHE   6  44.053  20.145  10.996
   41    HZ   PHE   6           HZ       PHE   6  42.239  21.665  10.214
   42    H    ARG   7           HN       ARG   7  45.977  17.099   5.462
   43    HA   ARG   7           HA       ARG   7  48.428  16.719   4.086
   44    HB2  ARG   7           HB2      ARG   7  47.345  14.654   3.217
   45    HB3  ARG   7           HB1      ARG   7  47.190  14.822   4.966
   46    HG2  ARG   7           HG2      ARG   7  44.923  15.826   4.621
   47    HG3  ARG   7           HG1      ARG   7  45.078  15.490   2.895
   48    HD2  ARG   7           HD2      ARG   7  45.306  13.093   3.357
   49    HD3  ARG   7           HD1      ARG   7  45.227  13.403   5.091
   50    HE   ARG   7           HE       ARG   7  42.902  14.479   3.770
   51   HH11  ARG   7          HH11      ARG   7  44.372  11.417   4.156
   52   HH12  ARG   7          HH12      ARG   7  42.922  10.621   4.666
   53   HH21  ARG   7          HH21      ARG   7  41.030  13.526   4.721
   54   HH22  ARG   7          HH22      ARG   7  41.030  11.814   4.985
   55    H    ARG   8           HN       ARG   8  45.979  18.714   3.284
   56    HA   ARG   8           HA       ARG   8  45.563  18.158   0.524
   57    HB2  ARG   8           HB2      ARG   8  44.100  19.606   1.990
   58    HB3  ARG   8           HB1      ARG   8  45.347  20.850   1.888
   59    HG2  ARG   8           HG2      ARG   8  45.129  20.940  -0.535
   60    HG3  ARG   8           HG1      ARG   8  43.988  19.595  -0.516
   61    HD2  ARG   8           HD2      ARG   8  42.483  21.001   0.943
   62    HD3  ARG   8           HD1      ARG   8  43.577  22.356   0.660
   63    HE   ARG   8           HE       ARG   8  42.930  21.409  -1.886
   64   HH11  ARG   8          HH11      ARG   8  41.230  22.315  -3.068
   65   HH12  ARG   8          HH12      ARG   8  39.925  23.086  -2.229
   66   HH21  ARG   8          HH21      ARG   8  41.256  22.512   0.920
   67   HH22  ARG   8          HH22      ARG   8  39.940  23.198   0.028
   68    H    ALA   9           HN       ALA   9  48.169  19.527   2.273
   69    HA   ALA   9           HA       ALA   9  49.735  19.850  -0.116
   70    HB1  ALA   9           HB1      ALA   9  49.155  22.338   1.494
   71    HB2  ALA   9           HB2      ALA   9  48.400  21.967  -0.056
   72    HB3  ALA   9           HB3      ALA   9  50.144  22.214   0.039
   73    H    ALA  10           HN       ALA  10  50.411  18.143   1.674
   74    HA   ALA  10           HA       ALA  10  52.881  19.061   2.738
   75    HB1  ALA  10           HB1      ALA  10  50.656  18.547   4.715
   76    HB2  ALA  10           HB2      ALA  10  51.496  20.075   4.448
   77    HB3  ALA  10           HB3      ALA  10  52.361  18.701   5.137
   78    H    HIS  11           HN       HIS  11  50.785  16.752   1.708
   79    HA   HIS  11           HA       HIS  11  52.679  14.635   1.995
   80    HB2  HIS  11           HB2      HIS  11  51.691  14.664   4.292
   81    HB3  HIS  11           HB1      HIS  11  50.114  14.339   3.572
   82    HD1  HIS  11           HD1      HIS  11  53.389  12.736   4.374
   83    HD2  HIS  11           HD2      HIS  11  49.871  11.717   2.386
   84    HE1  HIS  11           HE1      HIS  11  53.445  10.224   4.061
   85    H    VAL  12           HN       VAL  12  49.412  15.700   1.278
   86    HA   VAL  12           HA       VAL  12  47.910  15.098  -0.345
   87    HB   VAL  12           HB       VAL  12  50.393  14.087  -1.768
   88   HG11  VAL  12          HG11      VAL  12  48.954  14.585  -3.800
   89   HG12  VAL  12          HG12      VAL  12  47.586  14.746  -2.697
   90   HG13  VAL  12          HG13      VAL  12  48.428  13.203  -2.838
   91   HG21  VAL  12          HG21      VAL  12  50.438  16.502  -1.039
   92   HG22  VAL  12          HG22      VAL  12  48.977  16.760  -1.993
   93   HG23  VAL  12          HG23      VAL  12  50.477  16.286  -2.789
   94    H    GLY  13           HN       GLY  13  50.167  12.452  -1.015
   95    HA2  GLY  13           HA1      GLY  13  49.030  10.444   0.521
   96    HA3  GLY  13           HA2      GLY  13  48.112  10.499  -0.978
   97    H    ARG  14           HN       ARG  14  51.306  11.511  -1.406
   98    HA   ARG  14           HA       ARG  14  51.931   9.232  -3.033
   99    HB2  ARG  14           HB2      ARG  14  53.780  11.442  -2.104
  100    HB3  ARG  14           HB1      ARG  14  54.019  10.369  -3.483
  101    HG2  ARG  14           HG2      ARG  14  51.974  11.280  -4.539
  102    HG3  ARG  14           HG1      ARG  14  51.767  12.376  -3.173
  103    HD2  ARG  14           HD2      ARG  14  53.865  13.487  -3.669
  104    HD3  ARG  14           HD1      ARG  14  54.241  12.305  -4.922
  105    HE   ARG  14           HE       ARG  14  51.756  13.479  -5.602
  106   HH11  ARG  14          HH11      ARG  14  52.151  14.499  -7.683
  107   HH12  ARG  14          HH12      ARG  14  53.387  15.711  -7.738
  108   HH21  ARG  14          HH21      ARG  14  54.617  14.978  -4.580
  109   HH22  ARG  14          HH22      ARG  14  54.784  15.982  -5.982
  110    H    HIS  15           HN       HIS  15  54.780   9.184  -2.333
  111    HA   HIS  15           HA       HIS  15  56.185   7.831  -1.122
  112    HB2  HIS  15           HB2      HIS  15  54.459   8.928   1.109
  113    HB3  HIS  15           HB1      HIS  15  55.960   8.038   1.360
  114    HD1  HIS  15           HD1      HIS  15  57.662   9.258  -0.910
  115    HD2  HIS  15           HD2      HIS  15  55.368  11.497   1.751
  116    HE1  HIS  15           HE1      HIS  15  58.631  11.597  -0.922
  117    H    VAL  16           HN       VAL  16  53.812   7.221   1.323
  118    HA   VAL  16           HA       VAL  16  53.991   4.438   1.155
  119    HB   VAL  16           HB       VAL  16  51.621   6.001   2.219
  120   HG11  VAL  16          HG11      VAL  16  51.467   4.003   3.739
  121   HG12  VAL  16          HG12      VAL  16  52.724   3.232   2.772
  122   HG13  VAL  16          HG13      VAL  16  51.167   3.626   2.042
  123   HG21  VAL  16          HG21      VAL  16  52.852   5.824   4.403
  124   HG22  VAL  16          HG22      VAL  16  53.660   6.861   3.229
  125   HG23  VAL  16          HG23      VAL  16  54.253   5.225   3.515
  126    H    GLY  17           HN       GLY  17  51.481   6.618  -0.125
  127    HA2  GLY  17           HA1      GLY  17  49.673   4.849  -1.149
  128    HA3  GLY  17           HA2      GLY  17  50.082   6.367  -1.936
  129    H    ARG  18           HN       ARG  18  52.396   6.159  -3.054
  130    HA   ARG  18           HA       ARG  18  52.036   4.292  -5.180
  131    HB2  ARG  18           HB2      ARG  18  54.491   5.923  -4.487
  132    HB3  ARG  18           HB1      ARG  18  54.134   5.175  -6.044
  133    HG2  ARG  18           HG2      ARG  18  52.118   6.575  -6.264
  134    HG3  ARG  18           HG1      ARG  18  52.463   7.323  -4.704
  135    HD2  ARG  18           HD2      ARG  18  54.603   8.175  -5.573
  136    HD3  ARG  18           HD1      ARG  18  54.279   7.415  -7.132
  137    HE   ARG  18           HE       ARG  18  53.282   9.956  -6.342
  138   HH11  ARG  18          HH11      ARG  18  53.178   8.376  -9.051
  139   HH12  ARG  18          HH12      ARG  18  51.477   8.455  -9.364
  140   HH21  ARG  18          HH21      ARG  18  50.662   9.459  -6.147
  141   HH22  ARG  18          HH22      ARG  18  50.052   9.068  -7.720
  142    H    ALA  19           HN       ALA  19  53.437   4.044  -2.094
  143    HA   ALA  19           HA       ALA  19  54.737   2.455  -1.062
  144    HB1  ALA  19           HB1      ALA  19  54.389   0.125  -1.929
  145    HB2  ALA  19           HB2      ALA  19  53.457   0.822  -3.255
  146    HB3  ALA  19           HB3      ALA  19  52.900   1.007  -1.591
  147    H    ALA  20           HN       ALA  20  55.100   0.871  -4.168
  148    HA   ALA  20           HA       ALA  20  57.603   2.053  -4.859
  149    HB1  ALA  20           HB1      ALA  20  58.987   0.018  -4.411
  150    HB2  ALA  20           HB2      ALA  20  57.642  -0.627  -3.471
  151    HB3  ALA  20           HB3      ALA  20  58.449   0.853  -2.954
  152    H    LEU  21           HN       LEU  21  56.902  -1.397  -5.026
  153    HA   LEU  21           HA       LEU  21  55.665  -1.285  -7.613
  154    HB2  LEU  21           HB2      LEU  21  57.681  -2.667  -8.626
  155    HB3  LEU  21           HB1      LEU  21  57.740  -0.906  -8.615
  156    HG   LEU  21           HG       LEU  21  59.097  -0.909  -6.596
  157   HD11  LEU  21          HD11      LEU  21  59.949  -3.201  -5.783
  158   HD12  LEU  21          HD12      LEU  21  58.598  -3.895  -6.680
  159   HD13  LEU  21          HD13      LEU  21  58.295  -2.774  -5.352
  160   HD21  LEU  21          HD21      LEU  21  60.155  -2.943  -8.585
  161   HD22  LEU  21          HD22      LEU  21  61.119  -1.932  -7.509
  162   HD23  LEU  21          HD23      LEU  21  60.199  -1.196  -8.819
  163    H    THR  22           HN       THR  22  56.032  -2.639  -4.741
  164    HA   THR  22           HA       THR  22  56.086  -5.442  -5.341
  165    HB   THR  22           HB       THR  22  55.433  -5.769  -3.012
  166    HG1  THR  22           HG1      THR  22  55.081  -2.959  -2.936
  167   HG21  THR  22          HG21      THR  22  57.289  -3.381  -3.141
  168   HG22  THR  22          HG22      THR  22  57.781  -5.011  -3.606
  169   HG23  THR  22          HG23      THR  22  57.287  -4.677  -1.945
  170    H    HIS  23           HN       HIS  23  54.490  -6.652  -6.129
  171    HA   HIS  23           HA       HIS  23  51.688  -6.030  -5.528
  172    HB2  HIS  23           HB2      HIS  23  52.735  -6.212  -8.365
  173    HB3  HIS  23           HB1      HIS  23  51.038  -6.097  -7.900
  174    HD1  HIS  23           HD1      HIS  23  53.667  -4.009  -9.026
  175    HD2  HIS  23           HD2      HIS  23  50.695  -3.589  -6.135
  176    HE1  HIS  23           HE1      HIS  23  53.476  -1.530  -8.551
  177    H    TYR  24           HN       TYR  24  51.644  -7.980  -4.400
  178    HA   TYR  24           HA       TYR  24  51.337 -10.234  -4.115
  179    HB2  TYR  24           HB2      TYR  24  50.904 -10.335  -7.104
  180    HB3  TYR  24           HB1      TYR  24  50.264 -11.434  -5.883
  181    HD1  TYR  24           HD1      TYR  24  48.538 -10.651  -4.247
  182    HD2  TYR  24           HD2      TYR  24  49.853  -8.194  -7.544
  183    HE1  TYR  24           HE1      TYR  24  46.543  -9.187  -3.954
  184    HE2  TYR  24           HE2      TYR  24  47.859  -6.732  -7.251
  185    HH   TYR  24           HH       TYR  24  45.326  -7.552  -4.865
  186    H    LEU  25           HN       LEU  25  52.982 -11.515  -3.622
  187    HA   LEU  25           HA       LEU  25  55.490 -11.507  -4.853
  188    HB2  LEU  25           HB2      LEU  25  54.350 -13.896  -3.395
  189    HB3  LEU  25           HB1      LEU  25  56.031 -13.371  -3.481
  190    HG   LEU  25           HG       LEU  25  53.759 -11.960  -2.053
  191   HD11  LEU  25          HD11      LEU  25  54.775 -13.954  -0.936
  192   HD12  LEU  25          HD12      LEU  25  55.040 -12.455  -0.047
  193   HD13  LEU  25          HD13      LEU  25  56.344 -13.152  -1.010
  194   HD21  LEU  25          HD21      LEU  25  55.704 -10.441  -1.287
  195   HD22  LEU  25          HD22      LEU  25  55.117 -10.204  -2.931
  196   HD23  LEU  25          HD23      LEU  25  56.607 -11.107  -2.649
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1  39.712  18.002   5.374
    2    H2   GLY   1           HT2      GLY   1  38.499  17.026   6.058
    3    H3   GLY   1           HT3      GLY   1  39.946  17.310   6.903
    4    HA2  GLY   1           HA1      GLY   1  38.770  19.743   6.219
    5    HA3  GLY   1           HA2      GLY   1  37.597  18.716   7.034
    6    H    TRP   2           HN       TRP   2  40.845  18.028   7.791
    7    HA   TRP   2           HA       TRP   2  41.255  19.927   9.875
    8    HB2  TRP   2           HB2      TRP   2  39.419  18.697  10.940
    9    HB3  TRP   2           HB1      TRP   2  40.292  17.180  10.714
   10    HD1  TRP   2           HD1      TRP   2  40.632  20.548  12.557
   11    HE1  TRP   2           HE1      TRP   2  42.111  20.192  14.638
   12    HE3  TRP   2           HE3      TRP   2  41.977  15.660  11.844
   13    HZ2  TRP   2           HZ2      TRP   2  43.669  18.103  15.855
   14    HZ3  TRP   2           HZ3      TRP   2  43.461  14.507  13.477
   15    HH2  TRP   2           HH2      TRP   2  44.306  15.723  15.479
   16    H    GLY   3           HN       GLY   3  42.090  17.228   8.001
   17    HA2  GLY   3           HA1      GLY   3  44.846  17.555   8.308
   18    HA3  GLY   3           HA2      GLY   3  44.348  16.255   9.382
   19    H    SER   4           HN       SER   4  42.123  15.648   7.390
   20    HA   SER   4           HA       SER   4  43.409  13.541   6.033
   21    HB2  SER   4           HB2      SER   4  40.972  13.625   6.559
   22    HB3  SER   4           HB1      SER   4  40.780  14.858   5.318
   23    HG   SER   4           HG       SER   4  40.685  12.303   4.962
   24    H    PHE   5           HN       PHE   5  43.674  13.244   3.730
   25    HA   PHE   5           HA       PHE   5  45.091  15.340   2.484
   26    HB2  PHE   5           HB2      PHE   5  44.970  13.890   0.449
   27    HB3  PHE   5           HB1      PHE   5  45.534  13.039   1.887
   28    HD1  PHE   5           HD1      PHE   5  44.100  11.411   3.054
   29    HD2  PHE   5           HD2      PHE   5  42.758  13.447  -0.507
   30    HE1  PHE   5           HE1      PHE   5  42.229   9.780   2.826
   31    HE2  PHE   5           HE2      PHE   5  40.887  11.817  -0.734
   32    HZ   PHE   5           HZ       PHE   5  40.600  10.008   0.954
   33    H    PHE   6           HN       PHE   6  44.471  16.975   1.195
   34    HA   PHE   6           HA       PHE   6  42.018  16.928  -0.317
   35    HB2  PHE   6           HB2      PHE   6  41.146  17.467   1.931
   36    HB3  PHE   6           HB1      PHE   6  42.238  18.851   2.012
   37    HD1  PHE   6           HD1      PHE   6  39.196  17.468   0.446
   38    HD2  PHE   6           HD2      PHE   6  41.898  20.831   0.590
   39    HE1  PHE   6           HE1      PHE   6  37.537  18.854  -0.792
   40    HE2  PHE   6           HE2      PHE   6  40.239  22.217  -0.650
   41    HZ   PHE   6           HZ       PHE   6  38.065  21.223  -1.357
   42    H    ARG   7           HN       ARG   7  44.361  19.171   1.176
   43    HA   ARG   7           HA       ARG   7  44.319  21.030  -0.972
   44    HB2  ARG   7           HB2      ARG   7  46.453  20.545   1.121
   45    HB3  ARG   7           HB1      ARG   7  46.335  21.967   0.084
   46    HG2  ARG   7           HG2      ARG   7  44.044  22.384   1.024
   47    HG3  ARG   7           HG1      ARG   7  44.318  21.061   2.156
   48    HD2  ARG   7           HD2      ARG   7  45.977  23.589   1.923
   49    HD3  ARG   7           HD1      ARG   7  44.872  23.184   3.236
   50    HE   ARG   7           HE       ARG   7  46.832  21.106   2.942
   51   HH11  ARG   7          HH11      ARG   7  48.423  23.713   2.838
   52   HH12  ARG   7          HH12      ARG   7  48.798  23.939   4.514
   53   HH21  ARG   7          HH21      ARG   7  46.431  21.661   5.623
   54   HH22  ARG   7          HH22      ARG   7  47.669  22.777   6.091
   55    H    ARG   8           HN       ARG   8  46.923  18.785   0.009
   56    HA   ARG   8           HA       ARG   8  48.621  17.821  -1.208
   57    HB2  ARG   8           HB2      ARG   8  46.402  17.746  -3.265
   58    HB3  ARG   8           HB1      ARG   8  47.924  16.866  -3.402
   59    HG2  ARG   8           HG2      ARG   8  47.407  15.774  -1.191
   60    HG3  ARG   8           HG1      ARG   8  45.817  16.535  -1.249
   61    HD2  ARG   8           HD2      ARG   8  46.927  14.666  -3.364
   62    HD3  ARG   8           HD1      ARG   8  45.756  14.214  -2.126
   63    HE   ARG   8           HE       ARG   8  44.740  16.473  -3.536
   64   HH11  ARG   8          HH11      ARG   8  42.708  15.778  -4.449
   65   HH12  ARG   8          HH12      ARG   8  42.727  14.360  -5.446
   66   HH21  ARG   8          HH21      ARG   8  45.982  13.499  -4.616
   67   HH22  ARG   8          HH22      ARG   8  44.581  13.070  -5.540
   68    H    ALA   9           HN       ALA   9  49.603  20.045  -1.114
   69    HA   ALA   9           HA       ALA   9  50.562  20.762  -3.725
   70    HB1  ALA   9           HB1      ALA   9  48.501  21.989  -3.865
   71    HB2  ALA   9           HB2      ALA   9  49.803  23.143  -3.583
   72    HB3  ALA   9           HB3      ALA   9  48.741  22.671  -2.258
   73    H    ALA  10           HN       ALA  10  50.320  21.414  -0.284
   74    HA   ALA  10           HA       ALA  10  52.628  23.119  -0.158
   75    HB1  ALA  10           HB1      ALA  10  52.370  22.969   2.227
   76    HB2  ALA  10           HB2      ALA  10  51.338  21.547   2.073
   77    HB3  ALA  10           HB3      ALA  10  50.766  23.117   1.512
   78    H    HIS  11           HN       HIS  11  52.095  19.884   1.257
   79    HA   HIS  11           HA       HIS  11  54.643  18.912   0.243
   80    HB2  HIS  11           HB2      HIS  11  54.210  19.063   3.235
   81    HB3  HIS  11           HB1      HIS  11  55.645  18.481   2.390
   82    HD1  HIS  11           HD1      HIS  11  56.792  20.406   0.760
   83    HD2  HIS  11           HD2      HIS  11  54.418  21.725   3.922
   84    HE1  HIS  11           HE1      HIS  11  57.372  22.845   1.123
   85    H    VAL  12           HN       VAL  12  51.576  18.510   1.748
   86    HA   VAL  12           HA       VAL  12  51.718  15.763   2.424
   87    HB   VAL  12           HB       VAL  12  49.243  17.271   1.532
   88   HG11  VAL  12          HG11      VAL  12  49.706  14.854   3.306
   89   HG12  VAL  12          HG12      VAL  12  48.915  14.867   1.730
   90   HG13  VAL  12          HG13      VAL  12  48.149  15.658   3.108
   91   HG21  VAL  12          HG21      VAL  12  48.960  17.760   3.968
   92   HG22  VAL  12          HG22      VAL  12  50.376  18.554   3.279
   93   HG23  VAL  12          HG23      VAL  12  50.569  17.100   4.258
   94    H    GLY  13           HN       GLY  13  52.761  14.698   0.697
   95    HA2  GLY  13           HA1      GLY  13  51.004  13.667  -1.291
   96    HA3  GLY  13           HA2      GLY  13  52.150  14.802  -1.991
   97    H    ARG  14           HN       ARG  14  54.492  14.384  -1.338
   98    HA   ARG  14           HA       ARG  14  55.201  11.764  -2.169
   99    HB2  ARG  14           HB2      ARG  14  56.990  13.770  -0.784
  100    HB3  ARG  14           HB1      ARG  14  57.479  12.466  -1.865
  101    HG2  ARG  14           HG2      ARG  14  56.120  13.561  -3.682
  102    HG3  ARG  14           HG1      ARG  14  55.866  14.926  -2.593
  103    HD2  ARG  14           HD2      ARG  14  58.583  13.885  -3.447
  104    HD3  ARG  14           HD1      ARG  14  57.784  15.295  -4.144
  105    HE   ARG  14           HE       ARG  14  59.125  15.191  -1.554
  106   HH11  ARG  14          HH11      ARG  14  59.305  17.626  -3.129
  107   HH12  ARG  14          HH12      ARG  14  58.152  18.684  -2.389
  108   HH21  ARG  14          HH21      ARG  14  56.483  16.138  -0.729
  109   HH22  ARG  14          HH22      ARG  14  56.553  17.842  -1.031
  110    H    HIS  15           HN       HIS  15  53.978  10.508  -0.577
  111    HA   HIS  15           HA       HIS  15  54.571  10.558   2.193
  112    HB2  HIS  15           HB2      HIS  15  52.557   9.476   1.125
  113    HB3  HIS  15           HB1      HIS  15  53.619   8.174   0.590
  114    HD1  HIS  15           HD1      HIS  15  51.592   9.222   3.416
  115    HD2  HIS  15           HD2      HIS  15  55.016   6.897   2.929
  116    HE1  HIS  15           HE1      HIS  15  51.844   7.865   5.539
  117    H    VAL  16           HN       VAL  16  56.875  10.686   2.272
  118    HA   VAL  16           HA       VAL  16  58.993   9.828   2.507
  119    HB   VAL  16           HB       VAL  16  57.640   7.118   2.634
  120   HG11  VAL  16          HG11      VAL  16  60.161   8.227   3.912
  121   HG12  VAL  16          HG12      VAL  16  60.115   7.137   2.527
  122   HG13  VAL  16          HG13      VAL  16  59.545   6.585   4.103
  123   HG21  VAL  16          HG21      VAL  16  57.977   9.249   4.766
  124   HG22  VAL  16          HG22      VAL  16  57.548   7.574   5.111
  125   HG23  VAL  16          HG23      VAL  16  56.458   8.586   4.162
  126    H    GLY  17           HN       GLY  17  59.092  10.476   0.139
  127    HA2  GLY  17           HA1      GLY  17  59.942  10.058  -1.947
  128    HA3  GLY  17           HA2      GLY  17  60.500   8.517  -1.311
  129    H    ARG  18           HN       ARG  18  57.187   9.740  -1.632
  130    HA   ARG  18           HA       ARG  18  55.338   8.838  -2.659
  131    HB2  ARG  18           HB2      ARG  18  57.392   7.984  -4.714
  132    HB3  ARG  18           HB1      ARG  18  55.650   8.097  -4.970
  133    HG2  ARG  18           HG2      ARG  18  55.766  10.528  -4.401
  134    HG3  ARG  18           HG1      ARG  18  57.521  10.384  -4.295
  135    HD2  ARG  18           HD2      ARG  18  57.494   9.500  -6.668
  136    HD3  ARG  18           HD1      ARG  18  55.787   9.937  -6.738
  137    HE   ARG  18           HE       ARG  18  56.485  12.154  -7.073
  138   HH11  ARG  18          HH11      ARG  18  57.675  13.946  -6.173
  139   HH12  ARG  18          HH12      ARG  18  59.334  13.672  -5.758
  140   HH21  ARG  18          HH21      ARG  18  59.152  10.237  -6.193
  141   HH22  ARG  18          HH22      ARG  18  60.170  11.572  -5.770
  142    H    ALA  19           HN       ALA  19  55.715   7.293  -0.682
  143    HA   ALA  19           HA       ALA  19  56.601   4.644  -1.137
  144    HB1  ALA  19           HB1      ALA  19  56.381   5.533   1.109
  145    HB2  ALA  19           HB2      ALA  19  55.342   4.119   0.933
  146    HB3  ALA  19           HB3      ALA  19  54.643   5.738   0.887
  147    H    ALA  20           HN       ALA  20  55.539   2.806  -1.753
  148    HA   ALA  20           HA       ALA  20  52.699   2.667  -2.091
  149    HB1  ALA  20           HB1      ALA  20  53.130   4.040  -4.029
  150    HB2  ALA  20           HB2      ALA  20  52.751   2.403  -4.568
  151    HB3  ALA  20           HB3      ALA  20  54.424   2.962  -4.553
  152    H    LEU  21           HN       LEU  21  55.515   1.312  -1.424
  153    HA   LEU  21           HA       LEU  21  55.428  -1.166  -2.848
  154    HB2  LEU  21           HB2      LEU  21  56.853  -0.229  -0.354
  155    HB3  LEU  21           HB1      LEU  21  56.973  -1.898  -0.909
  156    HG   LEU  21           HG       LEU  21  57.854  -1.150  -3.068
  157   HD11  LEU  21          HD11      LEU  21  56.816   0.943  -3.472
  158   HD12  LEU  21          HD12      LEU  21  58.504   1.359  -3.195
  159   HD13  LEU  21          HD13      LEU  21  57.317   1.594  -1.912
  160   HD21  LEU  21          HD21      LEU  21  60.009  -0.232  -2.260
  161   HD22  LEU  21          HD22      LEU  21  59.438  -1.536  -1.220
  162   HD23  LEU  21          HD23      LEU  21  59.261   0.142  -0.708
  163    H    THR  22           HN       THR  22  53.045  -1.438  -2.502
  164    HA   THR  22           HA       THR  22  52.598  -3.303  -0.304
  165    HB   THR  22           HB       THR  22  50.494  -2.170   0.412
  166    HG1  THR  22           HG1      THR  22  50.442  -0.918  -1.622
  167   HG21  THR  22          HG21      THR  22  52.759  -1.824   1.547
  168   HG22  THR  22          HG22      THR  22  51.544  -0.584   1.852
  169   HG23  THR  22          HG23      THR  22  52.839  -0.283   0.694
  170    H    HIS  23           HN       HIS  23  52.071  -4.974  -1.589
  171    HA   HIS  23           HA       HIS  23  50.798  -4.898  -4.061
  172    HB2  HIS  23           HB2      HIS  23  50.558  -7.120  -2.022
  173    HB3  HIS  23           HB1      HIS  23  50.395  -7.261  -3.773
  174    HD1  HIS  23           HD1      HIS  23  53.016  -6.226  -1.203
  175    HD2  HIS  23           HD2      HIS  23  52.784  -7.838  -5.040
  176    HE1  HIS  23           HE1      HIS  23  55.393  -6.747  -1.907
  177    H    TYR  24           HN       TYR  24  48.610  -6.438  -4.123
  178    HA   TYR  24           HA       TYR  24  46.573  -5.628  -2.263
  179    HB2  TYR  24           HB2      TYR  24  45.219  -4.367  -3.934
  180    HB3  TYR  24           HB1      TYR  24  46.714  -3.539  -3.494
  181    HD1  TYR  24           HD1      TYR  24  48.687  -3.581  -5.030
  182    HD2  TYR  24           HD2      TYR  24  44.860  -5.215  -6.176
  183    HE1  TYR  24           HE1      TYR  24  49.399  -3.577  -7.418
  184    HE2  TYR  24           HE2      TYR  24  45.572  -5.209  -8.565
  185    HH   TYR  24           HH       TYR  24  48.548  -3.619  -9.569
  186    H    LEU  25           HN       LEU  25  47.804  -7.460  -4.814
  187    HA   LEU  25           HA       LEU  25  45.438  -8.582  -5.891
  188    HB2  LEU  25           HB2      LEU  25  47.499  -8.818  -7.101
  189    HB3  LEU  25           HB1      LEU  25  48.287  -9.591  -5.730
  190    HG   LEU  25           HG       LEU  25  46.933 -11.576  -5.969
  191   HD11  LEU  25          HD11      LEU  25  45.362  -9.892  -7.934
  192   HD12  LEU  25          HD12      LEU  25  44.769 -10.751  -6.513
  193   HD13  LEU  25          HD13      LEU  25  45.268 -11.654  -7.940
  194   HD21  LEU  25          HD21      LEU  25  48.859 -11.389  -7.494
  195   HD22  LEU  25          HD22      LEU  25  47.842 -10.590  -8.693
  196   HD23  LEU  25          HD23      LEU  25  47.542 -12.274  -8.265
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1  52.444  27.767   8.467
    2    H2   GLY   1           HT2      GLY   1  51.119  27.278   7.525
    3    H3   GLY   1           HT3      GLY   1  52.491  27.952   6.784
    4    HA2  GLY   1           HA1      GLY   1  52.120  25.436   6.768
    5    HA3  GLY   1           HA2      GLY   1  53.724  26.114   7.006
    6    H    TRP   2           HN       TRP   2  51.957  23.688   8.009
    7    HA   TRP   2           HA       TRP   2  53.354  23.417  10.514
    8    HB2  TRP   2           HB2      TRP   2  51.462  24.837  11.219
    9    HB3  TRP   2           HB1      TRP   2  50.335  23.647  10.566
   10    HD1  TRP   2           HD1      TRP   2  53.225  23.789  13.135
   11    HE1  TRP   2           HE1      TRP   2  52.686  22.145  15.047
   12    HE3  TRP   2           HE3      TRP   2  48.862  21.786  11.357
   13    HZ2  TRP   2           HZ2      TRP   2  50.665  20.224  15.740
   14    HZ3  TRP   2           HZ3      TRP   2  47.646  20.049  12.661
   15    HH2  TRP   2           HH2      TRP   2  48.543  19.266  14.849
   16    H    GLY   3           HN       GLY   3  51.045  22.278   8.154
   17    HA2  GLY   3           HA1      GLY   3  52.070  19.659   8.121
   18    HA3  GLY   3           HA2      GLY   3  50.610  19.680   9.101
   19    H    SER   4           HN       SER   4  51.641  21.182   6.034
   20    HA   SER   4           HA       SER   4  50.599  21.330   3.994
   21    HB2  SER   4           HB2      SER   4  49.313  18.712   4.789
   22    HB3  SER   4           HB1      SER   4  49.541  19.329   3.156
   23    HG   SER   4           HG       SER   4  51.699  19.027   3.339
   24    H    PHE   5           HN       PHE   5  48.175  20.802   3.008
   25    HA   PHE   5           HA       PHE   5  46.524  22.774   4.209
   26    HB2  PHE   5           HB2      PHE   5  45.826  20.667   2.149
   27    HB3  PHE   5           HB1      PHE   5  44.858  22.093   2.529
   28    HD1  PHE   5           HD1      PHE   5  48.102  20.917   1.132
   29    HD2  PHE   5           HD2      PHE   5  45.468  24.288   1.712
   30    HE1  PHE   5           HE1      PHE   5  49.477  22.265  -0.448
   31    HE2  PHE   5           HE2      PHE   5  46.844  25.634   0.129
   32    HZ   PHE   5           HZ       PHE   5  48.851  24.624  -0.948
   33    H    PHE   6           HN       PHE   6  45.337  19.518   3.486
   34    HA   PHE   6           HA       PHE   6  44.694  18.943   6.256
   35    HB2  PHE   6           HB2      PHE   6  42.519  19.589   4.253
   36    HB3  PHE   6           HB1      PHE   6  42.236  18.758   5.782
   37    HD1  PHE   6           HD1      PHE   6  43.081  21.965   4.180
   38    HD2  PHE   6           HD2      PHE   6  42.559  19.916   7.944
   39    HE1  PHE   6           HE1      PHE   6  43.006  24.156   5.364
   40    HE2  PHE   6           HE2      PHE   6  42.483  22.109   9.126
   41    HZ   PHE   6           HZ       PHE   6  42.631  24.229   7.825
   42    H    ARG   7           HN       ARG   7  46.304  17.560   4.511
   43    HA   ARG   7           HA       ARG   7  46.658  15.489   3.577
   44    HB2  ARG   7           HB2      ARG   7  44.244  14.693   5.217
   45    HB3  ARG   7           HB1      ARG   7  45.546  13.643   4.656
   46    HG2  ARG   7           HG2      ARG   7  47.152  15.075   5.986
   47    HG3  ARG   7           HG1      ARG   7  45.748  15.888   6.678
   48    HD2  ARG   7           HD2      ARG   7  44.903  13.649   7.439
   49    HD3  ARG   7           HD1      ARG   7  46.418  12.939   6.882
   50    HE   ARG   7           HE       ARG   7  46.874  15.157   8.695
   51   HH11  ARG   7          HH11      ARG   7  45.197  13.801  10.530
   52   HH12  ARG   7          HH12      ARG   7  46.167  12.519  11.175
   53   HH21  ARG   7          HH21      ARG   7  48.507  12.647   8.619
   54   HH22  ARG   7          HH22      ARG   7  48.042  11.867  10.093
   55    H    ARG   8           HN       ARG   8  45.377  17.112   1.838
   56    HA   ARG   8           HA       ARG   8  44.024  15.255   0.142
   57    HB2  ARG   8           HB2      ARG   8  42.218  15.953   1.812
   58    HB3  ARG   8           HB1      ARG   8  42.312  17.560   1.094
   59    HG2  ARG   8           HG2      ARG   8  41.859  16.529  -1.147
   60    HG3  ARG   8           HG1      ARG   8  41.627  14.977  -0.342
   61    HD2  ARG   8           HD2      ARG   8  39.445  15.941  -0.620
   62    HD3  ARG   8           HD1      ARG   8  39.857  16.104   1.088
   63    HE   ARG   8           HE       ARG   8  40.732  18.481  -0.052
   64   HH11  ARG   8          HH11      ARG   8  39.271  20.072   0.960
   65   HH12  ARG   8          HH12      ARG   8  37.611  19.989   0.474
   66   HH21  ARG   8          HH21      ARG   8  37.944  16.906  -1.076
   67   HH22  ARG   8          HH22      ARG   8  36.860  18.198  -0.678
   68    H    ALA   9           HN       ALA   9  46.213  16.446  -0.541
   69    HA   ALA   9           HA       ALA   9  45.551  18.049  -2.786
   70    HB1  ALA   9           HB1      ALA   9  46.757  19.463  -0.408
   71    HB2  ALA   9           HB2      ALA   9  45.238  19.840  -1.222
   72    HB3  ALA   9           HB3      ALA   9  46.773  20.112  -2.047
   73    H    ALA  10           HN       ALA  10  48.332  18.172  -0.560
   74    HA   ALA  10           HA       ALA  10  50.316  18.031  -2.497
   75    HB1  ALA  10           HB1      ALA  10  50.345  17.024   0.351
   76    HB2  ALA  10           HB2      ALA  10  50.829  18.625  -0.214
   77    HB3  ALA  10           HB3      ALA  10  51.780  17.208  -0.658
   78    H    HIS  11           HN       HIS  11  50.475  15.327  -0.343
   79    HA   HIS  11           HA       HIS  11  50.970  13.509  -2.505
   80    HB2  HIS  11           HB2      HIS  11  51.082  11.802  -0.685
   81    HB3  HIS  11           HB1      HIS  11  52.125  13.196  -0.399
   82    HD1  HIS  11           HD1      HIS  11  48.959  11.568   0.802
   83    HD2  HIS  11           HD2      HIS  11  51.401  14.785   1.822
   84    HE1  HIS  11           HE1      HIS  11  48.128  12.418   3.039
   85    H    VAL  12           HN       VAL  12  48.157  14.675  -1.054
   86    HA   VAL  12           HA       VAL  12  45.942  14.100  -1.205
   87    HB   VAL  12           HB       VAL  12  46.823  12.289  -3.473
   88   HG11  VAL  12          HG11      VAL  12  44.505  12.773  -4.278
   89   HG12  VAL  12          HG12      VAL  12  44.195  13.632  -2.769
   90   HG13  VAL  12          HG13      VAL  12  44.528  11.900  -2.745
   91   HG21  VAL  12          HG21      VAL  12  47.658  14.605  -3.765
   92   HG22  VAL  12          HG22      VAL  12  46.024  15.217  -3.508
   93   HG23  VAL  12          HG23      VAL  12  46.383  14.231  -4.926
   94    H    GLY  13           HN       GLY  13  47.269  10.985  -2.289
   95    HA2  GLY  13           HA1      GLY  13  47.204   9.618   0.132
   96    HA3  GLY  13           HA2      GLY  13  45.597   9.489  -0.567
   97    H    ARG  14           HN       ARG  14  48.776   9.520  -2.153
   98    HA   ARG  14           HA       ARG  14  48.161   7.494  -3.989
   99    HB2  ARG  14           HB2      ARG  14  50.873   8.303  -2.907
  100    HB3  ARG  14           HB1      ARG  14  50.590   7.364  -4.373
  101    HG2  ARG  14           HG2      ARG  14  49.411   9.209  -5.406
  102    HG3  ARG  14           HG1      ARG  14  49.461  10.137  -3.907
  103    HD2  ARG  14           HD2      ARG  14  51.865  10.338  -4.032
  104    HD3  ARG  14           HD1      ARG  14  51.937   9.223  -5.397
  105    HE   ARG  14           HE       ARG  14  50.248  11.458  -6.044
  106   HH11  ARG  14          HH11      ARG  14  52.838  12.556  -4.748
  107   HH12  ARG  14          HH12      ARG  14  53.789  12.851  -6.166
  108   HH21  ARG  14          HH21      ARG  14  51.762  10.955  -8.243
  109   HH22  ARG  14          HH22      ARG  14  53.180  11.946  -8.145
  110    H    HIS  15           HN       HIS  15  48.701   7.286  -0.665
  111    HA   HIS  15           HA       HIS  15  49.974   4.746  -0.493
  112    HB2  HIS  15           HB2      HIS  15  49.847   6.385   1.382
  113    HB3  HIS  15           HB1      HIS  15  48.119   6.057   1.509
  114    HD1  HIS  15           HD1      HIS  15  47.687   3.233   1.613
  115    HD2  HIS  15           HD2      HIS  15  51.264   4.770   3.100
  116    HE1  HIS  15           HE1      HIS  15  48.619   1.482   3.188
  117    H    VAL  16           HN       VAL  16  46.626   5.500   0.462
  118    HA   VAL  16           HA       VAL  16  45.768   2.795   0.103
  119    HB   VAL  16           HB       VAL  16  43.494   3.689   0.521
  120   HG11  VAL  16          HG11      VAL  16  45.522   4.974   2.369
  121   HG12  VAL  16          HG12      VAL  16  45.147   3.251   2.385
  122   HG13  VAL  16          HG13      VAL  16  43.896   4.428   2.781
  123   HG21  VAL  16          HG21      VAL  16  43.608   5.791  -0.668
  124   HG22  VAL  16          HG22      VAL  16  44.946   6.345   0.338
  125   HG23  VAL  16          HG23      VAL  16  43.336   6.163   1.035
  126    H    GLY  17           HN       GLY  17  46.034   5.547  -1.956
  127    HA2  GLY  17           HA1      GLY  17  44.054   4.805  -3.873
  128    HA3  GLY  17           HA2      GLY  17  45.345   5.976  -4.106
  129    H    ARG  18           HN       ARG  18  47.612   4.563  -3.864
  130    HA   ARG  18           HA       ARG  18  47.451   2.163  -5.554
  131    HB2  ARG  18           HB2      ARG  18  49.007   4.651  -6.314
  132    HB3  ARG  18           HB1      ARG  18  49.167   3.081  -7.102
  133    HG2  ARG  18           HG2      ARG  18  46.681   3.165  -7.568
  134    HG3  ARG  18           HG1      ARG  18  46.700   4.834  -6.995
  135    HD2  ARG  18           HD2      ARG  18  48.403   5.390  -8.707
  136    HD3  ARG  18           HD1      ARG  18  48.330   3.731  -9.301
  137    HE   ARG  18           HE       ARG  18  45.693   4.618  -9.391
  138   HH11  ARG  18          HH11      ARG  18  46.191   7.291 -10.016
  139   HH12  ARG  18          HH12      ARG  18  46.648   7.317 -11.687
  140   HH21  ARG  18          HH21      ARG  18  47.385   3.932 -11.814
  141   HH22  ARG  18          HH22      ARG  18  47.324   5.417 -12.704
  142    H    ALA  19           HN       ALA  19  48.073   1.503  -3.273
  143    HA   ALA  19           HA       ALA  19  50.476   2.131  -2.041
  144    HB1  ALA  19           HB1      ALA  19  49.141  -0.577  -2.175
  145    HB2  ALA  19           HB2      ALA  19  48.741   0.709  -1.036
  146    HB3  ALA  19           HB3      ALA  19  50.325  -0.063  -0.974
  147    H    ALA  20           HN       ALA  20  49.922   0.381  -4.964
  148    HA   ALA  20           HA       ALA  20  51.327  -0.694  -6.434
  149    HB1  ALA  20           HB1      ALA  20  53.467   0.314  -6.766
  150    HB2  ALA  20           HB2      ALA  20  53.495   0.939  -5.117
  151    HB3  ALA  20           HB3      ALA  20  52.360   1.603  -6.292
  152    H    LEU  21           HN       LEU  21  54.122  -1.315  -6.042
  153    HA   LEU  21           HA       LEU  21  53.818  -3.770  -4.559
  154    HB2  LEU  21           HB2      LEU  21  56.076  -2.475  -6.090
  155    HB3  LEU  21           HB1      LEU  21  56.362  -3.919  -5.120
  156    HG   LEU  21           HG       LEU  21  54.699  -5.162  -6.385
  157   HD11  LEU  21          HD11      LEU  21  53.029  -3.534  -6.878
  158   HD12  LEU  21          HD12      LEU  21  53.690  -4.002  -8.443
  159   HD13  LEU  21          HD13      LEU  21  54.184  -2.482  -7.697
  160   HD21  LEU  21          HD21      LEU  21  56.980  -5.051  -7.310
  161   HD22  LEU  21          HD22      LEU  21  56.553  -3.592  -8.206
  162   HD23  LEU  21          HD23      LEU  21  55.789  -5.130  -8.609
  163    H    THR  22           HN       THR  22  53.414  -1.435  -2.968
  164    HA   THR  22           HA       THR  22  54.007  -0.512  -0.952
  165    HB   THR  22           HB       THR  22  54.927  -2.010   0.689
  166    HG1  THR  22           HG1      THR  22  55.657  -4.142  -0.396
  167   HG21  THR  22          HG21      THR  22  53.402  -3.674  -1.333
  168   HG22  THR  22          HG22      THR  22  52.656  -2.550  -0.196
  169   HG23  THR  22          HG23      THR  22  53.512  -3.971   0.403
  170    H    HIS  23           HN       HIS  23  55.352   0.914  -2.504
  171    HA   HIS  23           HA       HIS  23  58.209   0.573  -2.468
  172    HB2  HIS  23           HB2      HIS  23  56.518   2.994  -3.147
  173    HB3  HIS  23           HB1      HIS  23  58.249   2.837  -3.452
  174    HD1  HIS  23           HD1      HIS  23  58.562   0.129  -4.641
  175    HD2  HIS  23           HD2      HIS  23  55.350   2.594  -5.621
  176    HE1  HIS  23           HE1      HIS  23  57.665  -0.710  -6.855
  177    H    TYR  24           HN       TYR  24  59.128   0.586  -0.481
  178    HA   TYR  24           HA       TYR  24  58.249   2.226   1.679
  179    HB2  TYR  24           HB2      TYR  24  60.836   0.721   1.243
  180    HB3  TYR  24           HB1      TYR  24  60.373   1.493   2.760
  181    HD1  TYR  24           HD1      TYR  24  59.654  -1.268   0.413
  182    HD2  TYR  24           HD2      TYR  24  58.534   0.617   4.131
  183    HE1  TYR  24           HE1      TYR  24  58.302  -3.270   1.021
  184    HE2  TYR  24           HE2      TYR  24  57.182  -1.385   4.739
  185    HH   TYR  24           HH       TYR  24  57.259  -4.314   3.172
  186    H    LEU  25           HN       LEU  25  58.550   4.336   1.920
  187    HA   LEU  25           HA       LEU  25  60.349   5.822   0.233
  188    HB2  LEU  25           HB2      LEU  25  58.929   6.884   2.678
  189    HB3  LEU  25           HB1      LEU  25  59.414   7.761   1.226
  190    HG   LEU  25           HG       LEU  25  57.261   5.632   1.415
  191   HD11  LEU  25          HD11      LEU  25  56.647   7.867   2.298
  192   HD12  LEU  25          HD12      LEU  25  55.759   7.487   0.822
  193   HD13  LEU  25          HD13      LEU  25  57.130   8.594   0.766
  194   HD21  LEU  25          HD21      LEU  25  56.865   6.387  -1.022
  195   HD22  LEU  25          HD22      LEU  25  58.256   5.348  -0.733
  196   HD23  LEU  25          HD23      LEU  25  58.483   7.084  -0.949
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1  48.964  27.668   7.287
    2    H2   GLY   1           HT2      GLY   1  48.232  26.667   6.126
    3    H3   GLY   1           HT3      GLY   1  49.747  27.372   5.814
    4    HA2  GLY   1           HA1      GLY   1  49.601  24.940   6.507
    5    HA3  GLY   1           HA2      GLY   1  50.860  25.982   7.159
    6    H    TRP   2           HN       TRP   2  47.401  25.751   7.953
    7    HA   TRP   2           HA       TRP   2  47.803  24.373  10.414
    8    HB2  TRP   2           HB2      TRP   2  47.235  26.274  11.924
    9    HB3  TRP   2           HB1      TRP   2  48.807  26.458  11.144
   10    HD1  TRP   2           HD1      TRP   2  49.068  28.318   9.291
   11    HE1  TRP   2           HE1      TRP   2  47.634  30.368   8.666
   12    HE3  TRP   2           HE3      TRP   2  44.756  27.166  11.800
   13    HZ2  TRP   2           HZ2      TRP   2  44.997  31.398   9.162
   14    HZ3  TRP   2           HZ3      TRP   2  42.794  28.698  11.709
   15    HH2  TRP   2           HH2      TRP   2  42.911  30.811  10.395
   16    H    GLY   3           HN       GLY   3  45.872  26.265   8.244
   17    HA2  GLY   3           HA1      GLY   3  43.379  26.044   9.563
   18    HA3  GLY   3           HA2      GLY   3  43.617  26.367   7.851
   19    H    SER   4           HN       SER   4  45.259  23.779   7.781
   20    HA   SER   4           HA       SER   4  44.857  21.629   7.067
   21    HB2  SER   4           HB2      SER   4  42.867  21.829   9.335
   22    HB3  SER   4           HB1      SER   4  43.267  20.327   8.508
   23    HG   SER   4           HG       SER   4  44.931  22.015  10.055
   24    H    PHE   5           HN       PHE   5  44.081  22.227   4.999
   25    HA   PHE   5           HA       PHE   5  41.340  22.844   4.501
   26    HB2  PHE   5           HB2      PHE   5  43.478  21.831   2.609
   27    HB3  PHE   5           HB1      PHE   5  41.933  22.535   2.133
   28    HD1  PHE   5           HD1      PHE   5  41.487  24.933   2.412
   29    HD2  PHE   5           HD2      PHE   5  45.258  23.202   3.598
   30    HE1  PHE   5           HE1      PHE   5  42.478  27.212   2.588
   31    HE2  PHE   5           HE2      PHE   5  46.249  25.481   3.776
   32    HZ   PHE   5           HZ       PHE   5  44.879  27.480   3.200
   33    H    PHE   6           HN       PHE   6  42.896  20.153   2.847
   34    HA   PHE   6           HA       PHE   6  41.211  18.141   4.085
   35    HB2  PHE   6           HB2      PHE   6  40.842  18.729   1.138
   36    HB3  PHE   6           HB1      PHE   6  39.985  17.529   2.102
   37    HD1  PHE   6           HD1      PHE   6  38.328  18.219   3.820
   38    HD2  PHE   6           HD2      PHE   6  40.265  21.090   1.246
   39    HE1  PHE   6           HE1      PHE   6  36.621  19.925   4.439
   40    HE2  PHE   6           HE2      PHE   6  38.557  22.797   1.865
   41    HZ   PHE   6           HZ       PHE   6  36.787  22.238   3.526
   42    H    ARG   7           HN       ARG   7  41.393  16.426   1.711
   43    HA   ARG   7           HA       ARG   7  44.061  15.413   2.156
   44    HB2  ARG   7           HB2      ARG   7  41.897  14.516   0.236
   45    HB3  ARG   7           HB1      ARG   7  43.378  13.629   0.597
   46    HG2  ARG   7           HG2      ARG   7  42.731  13.438   2.948
   47    HG3  ARG   7           HG1      ARG   7  41.284  14.401   2.649
   48    HD2  ARG   7           HD2      ARG   7  40.387  12.701   1.170
   49    HD3  ARG   7           HD1      ARG   7  41.883  11.773   1.265
   50    HE   ARG   7           HE       ARG   7  41.131  10.905   3.322
   51   HH11  ARG   7          HH11      ARG   7  40.721  13.832   4.330
   52   HH12  ARG   7          HH12      ARG   7  39.071  13.738   4.845
   53   HH21  ARG   7          HH21      ARG   7  38.448  10.754   3.193
   54   HH22  ARG   7          HH22      ARG   7  37.783  11.995   4.202
   55    H    ARG   8           HN       ARG   8  44.426  17.901   1.192
   56    HA   ARG   8           HA       ARG   8  45.954  17.446  -1.183
   57    HB2  ARG   8           HB2      ARG   8  43.614  17.663  -2.099
   58    HB3  ARG   8           HB1      ARG   8  43.594  19.314  -1.481
   59    HG2  ARG   8           HG2      ARG   8  45.614  19.828  -2.826
   60    HG3  ARG   8           HG1      ARG   8  45.580  18.190  -3.478
   61    HD2  ARG   8           HD2      ARG   8  43.403  20.279  -3.785
   62    HD3  ARG   8           HD1      ARG   8  44.500  19.725  -5.050
   63    HE   ARG   8           HE       ARG   8  43.240  17.411  -4.119
   64   HH11  ARG   8          HH11      ARG   8  42.576  17.321  -6.676
   65   HH12  ARG   8          HH12      ARG   8  41.041  18.092  -6.900
   66   HH21  ARG   8          HH21      ARG   8  41.140  19.763  -3.863
   67   HH22  ARG   8          HH22      ARG   8  40.226  19.474  -5.306
   68    H    ALA   9           HN       ALA   9  47.286  18.235   0.719
   69    HA   ALA   9           HA       ALA   9  48.027  20.947   0.270
   70    HB1  ALA   9           HB1      ALA   9  46.088  21.462   1.618
   71    HB2  ALA   9           HB2      ALA   9  47.542  21.778   2.566
   72    HB3  ALA   9           HB3      ALA   9  46.601  20.315   2.856
   73    H    ALA  10           HN       ALA  10  48.133  19.509   3.465
   74    HA   ALA  10           HA       ALA  10  50.991  19.575   3.517
   75    HB1  ALA  10           HB1      ALA  10  49.549  19.887   5.520
   76    HB2  ALA  10           HB2      ALA  10  50.778  18.641   5.736
   77    HB3  ALA  10           HB3      ALA  10  49.104  18.182   5.420
   78    H    HIS  11           HN       HIS  11  48.578  16.979   3.302
   79    HA   HIS  11           HA       HIS  11  50.497  14.862   3.221
   80    HB2  HIS  11           HB2      HIS  11  47.633  14.880   2.236
   81    HB3  HIS  11           HB1      HIS  11  48.611  13.453   2.581
   82    HD1  HIS  11           HD1      HIS  11  49.361  16.020   5.008
   83    HD2  HIS  11           HD2      HIS  11  46.329  13.193   4.587
   84    HE1  HIS  11           HE1      HIS  11  48.306  15.753   7.296
   85    H    VAL  12           HN       VAL  12  49.094  16.998   0.861
   86    HA   VAL  12           HA       VAL  12  49.413  17.253  -1.395
   87    HB   VAL  12           HB       VAL  12  51.975  15.724  -0.831
   88   HG11  VAL  12          HG11      VAL  12  51.041  17.410  -3.166
   89   HG12  VAL  12          HG12      VAL  12  51.570  15.728  -3.198
   90   HG13  VAL  12          HG13      VAL  12  52.736  17.013  -2.888
   91   HG21  VAL  12          HG21      VAL  12  51.724  17.771   0.534
   92   HG22  VAL  12          HG22      VAL  12  51.386  18.701  -0.925
   93   HG23  VAL  12          HG23      VAL  12  52.977  17.979  -0.688
   94    H    GLY  13           HN       GLY  13  51.109  14.157  -1.173
   95    HA2  GLY  13           HA1      GLY  13  49.043  12.431  -1.863
   96    HA3  GLY  13           HA2      GLY  13  49.716  13.044  -3.368
   97    H    ARG  14           HN       ARG  14  51.731  12.706  -0.566
   98    HA   ARG  14           HA       ARG  14  53.380  10.728  -1.953
   99    HB2  ARG  14           HB2      ARG  14  53.879  11.959   0.761
  100    HB3  ARG  14           HB1      ARG  14  55.054  11.245  -0.344
  101    HG2  ARG  14           HG2      ARG  14  54.512  13.045  -1.999
  102    HG3  ARG  14           HG1      ARG  14  53.473  13.793  -0.786
  103    HD2  ARG  14           HD2      ARG  14  55.503  13.824   0.756
  104    HD3  ARG  14           HD1      ARG  14  56.468  13.381  -0.653
  105    HE   ARG  14           HE       ARG  14  54.857  15.670  -1.280
  106   HH11  ARG  14          HH11      ARG  14  56.654  15.432   1.481
  107   HH12  ARG  14          HH12      ARG  14  57.840  16.617   1.053
  108   HH21  ARG  14          HH21      ARG  14  56.784  16.874  -2.240
  109   HH22  ARG  14          HH22      ARG  14  57.913  17.435  -1.053
  110    H    HIS  15           HN       HIS  15  54.395   9.777   0.691
  111    HA   HIS  15           HA       HIS  15  54.136   7.915   2.004
  112    HB2  HIS  15           HB2      HIS  15  51.288   8.936   2.069
  113    HB3  HIS  15           HB1      HIS  15  51.945   7.707   3.150
  114    HD1  HIS  15           HD1      HIS  15  51.297  11.180   3.133
  115    HD2  HIS  15           HD2      HIS  15  54.580   8.916   4.344
  116    HE1  HIS  15           HE1      HIS  15  52.611  12.628   4.743
  117    H    VAL  16           HN       VAL  16  50.848   7.322   1.290
  118    HA   VAL  16           HA       VAL  16  51.380   4.752   0.215
  119    HB   VAL  16           HB       VAL  16  48.921   4.722  -0.310
  120   HG11  VAL  16          HG11      VAL  16  48.220   4.763   2.022
  121   HG12  VAL  16          HG12      VAL  16  49.607   5.764   2.454
  122   HG13  VAL  16          HG13      VAL  16  49.851   4.099   1.926
  123   HG21  VAL  16          HG21      VAL  16  47.592   6.670   0.506
  124   HG22  VAL  16          HG22      VAL  16  48.639   7.097  -0.848
  125   HG23  VAL  16          HG23      VAL  16  49.096   7.545   0.795
  126    H    GLY  17           HN       GLY  17  50.690   7.876  -1.254
  127    HA2  GLY  17           HA1      GLY  17  50.003   7.212  -3.821
  128    HA3  GLY  17           HA2      GLY  17  51.001   8.600  -3.412
  129    H    ARG  18           HN       ARG  18  53.367   7.852  -2.809
  130    HA   ARG  18           HA       ARG  18  54.436   6.675  -5.205
  131    HB2  ARG  18           HB2      ARG  18  55.540   8.528  -3.924
  132    HB3  ARG  18           HB1      ARG  18  55.894   7.366  -2.645
  133    HG2  ARG  18           HG2      ARG  18  57.214   6.011  -4.168
  134    HG3  ARG  18           HG1      ARG  18  56.759   7.033  -5.532
  135    HD2  ARG  18           HD2      ARG  18  57.873   8.962  -4.439
  136    HD3  ARG  18           HD1      ARG  18  58.367   7.909  -3.114
  137    HE   ARG  18           HE       ARG  18  59.303   6.685  -5.466
  138   HH11  ARG  18          HH11      ARG  18  59.887   9.300  -3.331
  139   HH12  ARG  18          HH12      ARG  18  61.407   9.730  -4.044
  140   HH21  ARG  18          HH21      ARG  18  61.177   7.384  -6.588
  141   HH22  ARG  18          HH22      ARG  18  62.137   8.645  -5.889
  142    H    ALA  19           HN       ALA  19  54.923   5.802  -1.772
  143    HA   ALA  19           HA       ALA  19  55.979   3.254  -2.262
  144    HB1  ALA  19           HB1      ALA  19  55.626   2.822   0.061
  145    HB2  ALA  19           HB2      ALA  19  54.358   4.043   0.156
  146    HB3  ALA  19           HB3      ALA  19  56.034   4.531  -0.091
  147    H    ALA  20           HN       ALA  20  54.775   1.234  -1.264
  148    HA   ALA  20           HA       ALA  20  51.955   1.059  -1.671
  149    HB1  ALA  20           HB1      ALA  20  53.762  -0.041  -3.825
  150    HB2  ALA  20           HB2      ALA  20  52.515   1.193  -4.009
  151    HB3  ALA  20           HB3      ALA  20  52.062  -0.472  -3.640
  152    H    LEU  21           HN       LEU  21  55.081  -0.467  -1.299
  153    HA   LEU  21           HA       LEU  21  55.738  -2.433  -0.293
  154    HB2  LEU  21           HB2      LEU  21  53.310  -1.611   1.304
  155    HB3  LEU  21           HB1      LEU  21  54.214  -3.066   1.715
  156    HG   LEU  21           HG       LEU  21  56.263  -1.757   1.989
  157   HD11  LEU  21          HD11      LEU  21  55.975   0.809   1.964
  158   HD12  LEU  21          HD12      LEU  21  54.498   0.515   1.045
  159   HD13  LEU  21          HD13      LEU  21  56.057   0.001   0.401
  160   HD21  LEU  21          HD21      LEU  21  53.882  -0.551   3.438
  161   HD22  LEU  21          HD22      LEU  21  55.562  -0.418   3.960
  162   HD23  LEU  21          HD23      LEU  21  54.770  -1.994   3.929
  163    H    THR  22           HN       THR  22  55.346  -3.630  -2.257
  164    HA   THR  22           HA       THR  22  53.506  -5.826  -1.851
  165    HB   THR  22           HB       THR  22  53.128  -4.075  -4.300
  166    HG1  THR  22           HG1      THR  22  52.166  -3.052  -2.615
  167   HG21  THR  22          HG21      THR  22  52.709  -6.401  -4.791
  168   HG22  THR  22          HG22      THR  22  51.147  -5.601  -4.615
  169   HG23  THR  22          HG23      THR  22  51.780  -6.597  -3.304
  170    H    HIS  23           HN       HIS  23  54.708  -7.528  -2.345
  171    HA   HIS  23           HA       HIS  23  57.047  -7.350  -3.991
  172    HB2  HIS  23           HB2      HIS  23  55.658  -9.874  -3.075
  173    HB3  HIS  23           HB1      HIS  23  57.359  -9.667  -3.495
  174    HD1  HIS  23           HD1      HIS  23  58.856  -8.325  -1.799
  175    HD2  HIS  23           HD2      HIS  23  54.960  -8.993  -0.475
  176    HE1  HIS  23           HE1      HIS  23  58.845  -7.815   0.682
  177    H    TYR  24           HN       TYR  24  57.008  -7.255  -6.136
  178    HA   TYR  24           HA       TYR  24  54.731  -7.904  -7.709
  179    HB2  TYR  24           HB2      TYR  24  57.619  -7.429  -8.483
  180    HB3  TYR  24           HB1      TYR  24  56.290  -7.577  -9.634
  181    HD1  TYR  24           HD1      TYR  24  54.621  -5.817  -9.885
  182    HD2  TYR  24           HD2      TYR  24  57.740  -5.513  -6.918
  183    HE1  TYR  24           HE1      TYR  24  54.060  -3.413  -9.541
  184    HE2  TYR  24           HE2      TYR  24  57.180  -3.109  -6.575
  185    HH   TYR  24           HH       TYR  24  54.474  -1.788  -7.203
  186    H    LEU  25           HN       LEU  25  54.931  -9.439  -9.626
  187    HA   LEU  25           HA       LEU  25  56.601 -11.754  -9.350
  188    HB2  LEU  25           HB2      LEU  25  54.450 -13.269  -9.089
  189    HB3  LEU  25           HB1      LEU  25  55.215 -12.581  -7.660
  190    HG   LEU  25           HG       LEU  25  53.611 -10.753  -7.613
  191   HD11  LEU  25          HD11      LEU  25  53.163 -10.304  -9.908
  192   HD12  LEU  25          HD12      LEU  25  51.638 -10.902  -9.263
  193   HD13  LEU  25          HD13      LEU  25  52.667 -11.967 -10.220
  194   HD21  LEU  25          HD21      LEU  25  51.605 -12.029  -7.082
  195   HD22  LEU  25          HD22      LEU  25  53.018 -12.957  -6.578
  196   HD23  LEU  25          HD23      LEU  25  52.168 -13.384  -8.063
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1  43.581  20.999  13.522
    2    H2   GLY   1           HT2      GLY   1  45.267  20.969  13.726
    3    H3   GLY   1           HT3      GLY   1  44.580  20.541  12.233
    4    HA2  GLY   1           HA1      GLY   1  44.895  23.160  13.459
    5    HA3  GLY   1           HA2      GLY   1  45.299  22.631  11.832
    6    H    TRP   2           HN       TRP   2  43.707  22.561  10.250
    7    HA   TRP   2           HA       TRP   2  40.942  23.012  10.785
    8    HB2  TRP   2           HB2      TRP   2  40.783  25.282   9.818
    9    HB3  TRP   2           HB1      TRP   2  41.725  25.273  11.308
   10    HD1  TRP   2           HD1      TRP   2  44.477  25.123  10.944
   11    HE1  TRP   2           HE1      TRP   2  45.920  26.279   9.148
   12    HE3  TRP   2           HE3      TRP   2  40.865  26.190   7.473
   13    HZ2  TRP   2           HZ2      TRP   2  45.595  27.503   6.567
   14    HZ3  TRP   2           HZ3      TRP   2  41.456  27.352   5.352
   15    HH2  TRP   2           HH2      TRP   2  43.816  28.009   4.896
   16    H    GLY   3           HN       GLY   3  42.201  21.097   9.294
   17    HA2  GLY   3           HA1      GLY   3  42.307  20.132   7.213
   18    HA3  GLY   3           HA2      GLY   3  40.848  21.064   6.900
   19    H    SER   4           HN       SER   4  44.325  21.776   7.271
   20    HA   SER   4           HA       SER   4  44.243  23.903   5.355
   21    HB2  SER   4           HB2      SER   4  46.688  23.930   5.633
   22    HB3  SER   4           HB1      SER   4  45.872  23.877   7.192
   23    HG   SER   4           HG       SER   4  47.592  22.117   6.089
   24    H    PHE   5           HN       PHE   5  43.519  23.158   3.384
   25    HA   PHE   5           HA       PHE   5  43.556  22.067   1.356
   26    HB2  PHE   5           HB2      PHE   5  46.552  22.061   1.756
   27    HB3  PHE   5           HB1      PHE   5  45.662  22.124   0.234
   28    HD1  PHE   5           HD1      PHE   5  44.394  24.169  -0.416
   29    HD2  PHE   5           HD2      PHE   5  46.867  24.045   3.120
   30    HE1  PHE   5           HE1      PHE   5  44.347  26.658  -0.295
   31    HE2  PHE   5           HE2      PHE   5  46.821  26.533   3.240
   32    HZ   PHE   5           HZ       PHE   5  45.543  27.838   1.546
   33    H    PHE   6           HN       PHE   6  45.188  20.180   0.232
   34    HA   PHE   6           HA       PHE   6  45.711  17.975   1.991
   35    HB2  PHE   6           HB2      PHE   6  43.965  16.471   1.091
   36    HB3  PHE   6           HB1      PHE   6  43.270  17.827   1.980
   37    HD1  PHE   6           HD1      PHE   6  43.884  16.398  -1.386
   38    HD2  PHE   6           HD2      PHE   6  42.017  19.585   0.848
   39    HE1  PHE   6           HE1      PHE   6  42.594  17.064  -3.412
   40    HE2  PHE   6           HE2      PHE   6  40.728  20.250  -1.179
   41    HZ   PHE   6           HZ       PHE   6  40.975  18.953  -3.292
   42    H    ARG   7           HN       ARG   7  45.619  19.501  -1.069
   43    HA   ARG   7           HA       ARG   7  46.580  17.289  -2.637
   44    HB2  ARG   7           HB2      ARG   7  45.343  19.211  -3.614
   45    HB3  ARG   7           HB1      ARG   7  46.710  20.255  -3.229
   46    HG2  ARG   7           HG2      ARG   7  48.165  19.032  -4.703
   47    HG3  ARG   7           HG1      ARG   7  46.962  17.763  -4.931
   48    HD2  ARG   7           HD2      ARG   7  46.613  20.654  -5.775
   49    HD3  ARG   7           HD1      ARG   7  47.039  19.331  -6.858
   50    HE   ARG   7           HE       ARG   7  44.647  18.640  -5.456
   51   HH11  ARG   7          HH11      ARG   7  42.614  19.145  -6.342
   52   HH12  ARG   7          HH12      ARG   7  42.541  20.017  -7.837
   53   HH21  ARG   7          HH21      ARG   7  45.970  20.483  -8.040
   54   HH22  ARG   7          HH22      ARG   7  44.441  20.774  -8.799
   55    H    ARG   8           HN       ARG   8  47.998  19.517  -0.456
   56    HA   ARG   8           HA       ARG   8  50.713  18.601  -1.228
   57    HB2  ARG   8           HB2      ARG   8  50.007  21.422  -0.382
   58    HB3  ARG   8           HB1      ARG   8  51.600  20.823  -0.845
   59    HG2  ARG   8           HG2      ARG   8  50.713  20.279  -3.105
   60    HG3  ARG   8           HG1      ARG   8  49.156  20.966  -2.636
   61    HD2  ARG   8           HD2      ARG   8  50.344  23.128  -2.133
   62    HD3  ARG   8           HD1      ARG   8  51.806  22.422  -2.820
   63    HE   ARG   8           HE       ARG   8  49.725  22.126  -4.730
   64   HH11  ARG   8          HH11      ARG   8  50.007  24.954  -3.085
   65   HH12  ARG   8          HH12      ARG   8  50.594  25.910  -4.405
   66   HH21  ARG   8          HH21      ARG   8  51.163  23.185  -6.473
   67   HH22  ARG   8          HH22      ARG   8  51.251  24.908  -6.322
   68    H    ALA   9           HN       ALA   9  49.231  17.364   0.717
   69    HA   ALA   9           HA       ALA   9  50.914  17.684   3.009
   70    HB1  ALA   9           HB1      ALA   9  49.190  18.313   4.615
   71    HB2  ALA   9           HB2      ALA   9  48.003  18.441   3.316
   72    HB3  ALA   9           HB3      ALA   9  49.362  19.564   3.384
   73    H    ALA  10           HN       ALA  10  47.501  16.727   2.915
   74    HA   ALA  10           HA       ALA  10  48.146  14.104   3.958
   75    HB1  ALA  10           HB1      ALA  10  45.552  15.396   3.110
   76    HB2  ALA  10           HB2      ALA  10  46.147  15.170   4.755
   77    HB3  ALA  10           HB3      ALA  10  45.668  13.773   3.791
   78    H    HIS  11           HN       HIS  11  49.392  14.476   1.496
   79    HA   HIS  11           HA       HIS  11  48.415  12.198   0.048
   80    HB2  HIS  11           HB2      HIS  11  46.858  13.916  -0.801
   81    HB3  HIS  11           HB1      HIS  11  48.231  14.905  -1.299
   82    HD1  HIS  11           HD1      HIS  11  49.785  13.891  -3.208
   83    HD2  HIS  11           HD2      HIS  11  46.203  11.853  -2.577
   84    HE1  HIS  11           HE1      HIS  11  49.456  12.384  -5.218
   85    H    VAL  12           HN       VAL  12  50.294  15.188  -0.509
   86    HA   VAL  12           HA       VAL  12  52.233  14.158  -2.192
   87    HB   VAL  12           HB       VAL  12  52.063  16.561  -1.680
   88   HG11  VAL  12          HG11      VAL  12  53.300  15.849   0.997
   89   HG12  VAL  12          HG12      VAL  12  51.599  16.247   0.765
   90   HG13  VAL  12          HG13      VAL  12  52.840  17.457   0.437
   91   HG21  VAL  12          HG21      VAL  12  54.227  15.489  -2.490
   92   HG22  VAL  12          HG22      VAL  12  54.785  15.538  -0.819
   93   HG23  VAL  12          HG23      VAL  12  54.419  17.038  -1.670
   94    H    GLY  13           HN       GLY  13  54.399  13.449  -1.832
   95    HA2  GLY  13           HA1      GLY  13  56.118  12.382  -0.717
   96    HA3  GLY  13           HA2      GLY  13  55.271  12.658   0.799
   97    H    ARG  14           HN       ARG  14  52.812  11.397   0.051
   98    HA   ARG  14           HA       ARG  14  53.524   8.666   0.614
   99    HB2  ARG  14           HB2      ARG  14  50.821   9.857  -0.050
  100    HB3  ARG  14           HB1      ARG  14  51.115   8.273   0.666
  101    HG2  ARG  14           HG2      ARG  14  52.214   9.375   2.603
  102    HG3  ARG  14           HG1      ARG  14  51.837  10.948   1.899
  103    HD2  ARG  14           HD2      ARG  14  50.128  10.407   3.543
  104    HD3  ARG  14           HD1      ARG  14  49.412  10.324   1.934
  105    HE   ARG  14           HE       ARG  14  49.100   8.006   2.251
  106   HH11  ARG  14          HH11      ARG  14  50.294   6.039   2.889
  107   HH12  ARG  14          HH12      ARG  14  50.889   6.013   4.516
  108   HH21  ARG  14          HH21      ARG  14  50.328   9.391   5.058
  109   HH22  ARG  14          HH22      ARG  14  50.908   7.910   5.743
  110    H    HIS  15           HN       HIS  15  52.638  10.493  -2.226
  111    HA   HIS  15           HA       HIS  15  52.005   8.207  -3.861
  112    HB2  HIS  15           HB2      HIS  15  51.115  10.491  -4.303
  113    HB3  HIS  15           HB1      HIS  15  52.748  11.015  -4.714
  114    HD1  HIS  15           HD1      HIS  15  52.218   7.579  -5.760
  115    HD2  HIS  15           HD2      HIS  15  51.524  11.339  -7.415
  116    HE1  HIS  15           HE1      HIS  15  51.827   7.211  -8.234
  117    H    VAL  16           HN       VAL  16  54.576   8.090  -2.470
  118    HA   VAL  16           HA       VAL  16  56.174   7.102  -4.596
  119    HB   VAL  16           HB       VAL  16  56.597   9.495  -5.030
  120   HG11  VAL  16          HG11      VAL  16  57.637  10.911  -3.364
  121   HG12  VAL  16          HG12      VAL  16  57.752   9.569  -2.225
  122   HG13  VAL  16          HG13      VAL  16  56.174  10.224  -2.660
  123   HG21  VAL  16          HG21      VAL  16  59.020   8.237  -3.709
  124   HG22  VAL  16          HG22      VAL  16  59.000   9.366  -5.063
  125   HG23  VAL  16          HG23      VAL  16  58.400   7.722  -5.277
  126    H    GLY  17           HN       GLY  17  55.936   8.251  -1.288
  127    HA2  GLY  17           HA1      GLY  17  58.249   6.858  -0.332
  128    HA3  GLY  17           HA2      GLY  17  56.990   7.594   0.652
  129    H    ARG  18           HN       ARG  18  54.767   6.196  -0.344
  130    HA   ARG  18           HA       ARG  18  55.189   3.368  -0.281
  131    HB2  ARG  18           HB2      ARG  18  55.634   3.959   2.109
  132    HB3  ARG  18           HB1      ARG  18  53.989   4.588   2.213
  133    HG2  ARG  18           HG2      ARG  18  53.067   2.403   1.663
  134    HG3  ARG  18           HG1      ARG  18  54.686   1.751   1.405
  135    HD2  ARG  18           HD2      ARG  18  53.856   1.128   3.636
  136    HD3  ARG  18           HD1      ARG  18  55.242   2.210   3.772
  137    HE   ARG  18           HE       ARG  18  52.824   3.751   3.778
  138   HH11  ARG  18          HH11      ARG  18  51.411   3.148   5.732
  139   HH12  ARG  18          HH12      ARG  18  52.298   3.072   7.218
  140   HH21  ARG  18          HH21      ARG  18  55.400   2.972   5.669
  141   HH22  ARG  18          HH22      ARG  18  54.557   2.974   7.182
  142    H    ALA  19           HN       ALA  19  53.869   3.930  -2.189
  143    HA   ALA  19           HA       ALA  19  51.216   4.921  -1.927
  144    HB1  ALA  19           HB1      ALA  19  50.933   4.266  -4.213
  145    HB2  ALA  19           HB2      ALA  19  52.289   3.144  -4.115
  146    HB3  ALA  19           HB3      ALA  19  52.576   4.881  -4.037
  147    H    ALA  20           HN       ALA  20  49.474   3.944  -1.141
  148    HA   ALA  20           HA       ALA  20  49.532   1.200  -0.306
  149    HB1  ALA  20           HB1      ALA  20  48.281   3.047   0.851
  150    HB2  ALA  20           HB2      ALA  20  47.326   1.598   0.533
  151    HB3  ALA  20           HB3      ALA  20  47.134   3.022  -0.490
  152    H    LEU  21           HN       LEU  21  48.975   2.673  -3.263
  153    HA   LEU  21           HA       LEU  21  46.866   1.091  -4.315
  154    HB2  LEU  21           HB2      LEU  21  49.142   2.226  -5.947
  155    HB3  LEU  21           HB1      LEU  21  47.465   1.977  -6.432
  156    HG   LEU  21           HG       LEU  21  48.475   3.992  -4.402
  157   HD11  LEU  21          HD11      LEU  21  48.878   4.626  -6.738
  158   HD12  LEU  21          HD12      LEU  21  47.599   5.625  -6.050
  159   HD13  LEU  21          HD13      LEU  21  47.192   4.294  -7.135
  160   HD21  LEU  21          HD21      LEU  21  46.013   4.743  -4.512
  161   HD22  LEU  21          HD22      LEU  21  46.343   3.273  -3.602
  162   HD23  LEU  21          HD23      LEU  21  45.679   3.169  -5.233
  163    H    THR  22           HN       THR  22  50.397   0.740  -4.384
  164    HA   THR  22           HA       THR  22  50.185  -2.136  -4.544
  165    HB   THR  22           HB       THR  22  49.919  -1.672  -6.921
  166    HG1  THR  22           HG1      THR  22  51.496  -3.285  -6.101
  167   HG21  THR  22          HG21      THR  22  51.565  -0.339  -8.152
  168   HG22  THR  22          HG22      THR  22  52.460  -0.040  -6.662
  169   HG23  THR  22          HG23      THR  22  50.842   0.630  -6.868
  170    H    HIS  23           HN       HIS  23  52.364  -3.153  -4.540
  171    HA   HIS  23           HA       HIS  23  54.695  -1.580  -4.057
  172    HB2  HIS  23           HB2      HIS  23  54.975  -1.993  -1.680
  173    HB3  HIS  23           HB1      HIS  23  53.447  -1.156  -1.942
  174    HD1  HIS  23           HD1      HIS  23  54.502  -3.532   0.247
  175    HD2  HIS  23           HD2      HIS  23  51.490  -3.682  -2.631
  176    HE1  HIS  23           HE1      HIS  23  52.920  -5.375   0.961
  177    H    TYR  24           HN       TYR  24  55.633  -3.643  -2.048
  178    HA   TYR  24           HA       TYR  24  56.955  -5.379  -3.765
  179    HB2  TYR  24           HB2      TYR  24  56.160  -5.954  -0.901
  180    HB3  TYR  24           HB1      TYR  24  57.484  -6.702  -1.795
  181    HD1  TYR  24           HD1      TYR  24  56.292  -3.615  -0.146
  182    HD2  TYR  24           HD2      TYR  24  59.544  -5.471  -2.295
  183    HE1  TYR  24           HE1      TYR  24  57.801  -1.748   0.522
  184    HE2  TYR  24           HE2      TYR  24  61.051  -3.603  -1.626
  185    HH   TYR  24           HH       TYR  24  60.411  -0.913  -0.932
  186    H    LEU  25           HN       LEU  25  56.712  -7.872  -3.562
  187    HA   LEU  25           HA       LEU  25  54.217  -8.573  -4.758
  188    HB2  LEU  25           HB2      LEU  25  56.630 -10.138  -3.838
  189    HB3  LEU  25           HB1      LEU  25  55.190 -10.966  -4.427
  190    HG   LEU  25           HG       LEU  25  55.331  -9.687  -6.545
  191   HD11  LEU  25          HD11      LEU  25  57.589  -8.504  -6.938
  192   HD12  LEU  25          HD12      LEU  25  57.765  -8.509  -5.184
  193   HD13  LEU  25          HD13      LEU  25  56.413  -7.660  -5.934
  194   HD21  LEU  25          HD21      LEU  25  56.426 -11.897  -6.334
  195   HD22  LEU  25          HD22      LEU  25  57.903 -11.109  -5.781
  196   HD23  LEU  25          HD23      LEU  25  57.325 -10.843  -7.425
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1  41.690  28.198   1.022
    2    H2   GLY   1           HT2      GLY   1  43.082  28.853   1.742
    3    H3   GLY   1           HT3      GLY   1  41.542  29.263   2.331
    4    HA2  GLY   1           HA1      GLY   1  42.675  26.556   2.357
    5    HA3  GLY   1           HA2      GLY   1  42.731  27.671   3.714
    6    H    TRP   2           HN       TRP   2  41.027  25.183   2.319
    7    HA   TRP   2           HA       TRP   2  38.362  25.962   3.165
    8    HB2  TRP   2           HB2      TRP   2  38.786  24.468   1.204
    9    HB3  TRP   2           HB1      TRP   2  39.386  23.240   2.319
   10    HD1  TRP   2           HD1      TRP   2  37.649  21.667   3.316
   11    HE1  TRP   2           HE1      TRP   2  35.075  21.619   3.463
   12    HE3  TRP   2           HE3      TRP   2  36.577  26.274   1.358
   13    HZ2  TRP   2           HZ2      TRP   2  32.840  23.313   2.833
   14    HZ3  TRP   2           HZ3      TRP   2  34.217  27.037   1.143
   15    HH2  TRP   2           HH2      TRP   2  32.350  25.563   1.878
   16    H    GLY   3           HN       GLY   3  40.996  23.936   4.339
   17    HA2  GLY   3           HA1      GLY   3  40.566  24.172   7.016
   18    HA3  GLY   3           HA2      GLY   3  39.501  22.854   6.547
   19    H    SER   4           HN       SER   4  42.231  23.087   4.567
   20    HA   SER   4           HA       SER   4  44.038  21.699   4.271
   21    HB2  SER   4           HB2      SER   4  45.521  21.502   6.109
   22    HB3  SER   4           HB1      SER   4  44.671  23.022   6.370
   23    HG   SER   4           HG       SER   4  44.855  21.138   8.075
   24    H    PHE   5           HN       PHE   5  45.040  19.515   5.245
   25    HA   PHE   5           HA       PHE   5  43.013  17.649   6.196
   26    HB2  PHE   5           HB2      PHE   5  44.343  17.120   3.531
   27    HB3  PHE   5           HB1      PHE   5  43.052  16.197   4.300
   28    HD1  PHE   5           HD1      PHE   5  43.879  19.154   2.299
   29    HD2  PHE   5           HD2      PHE   5  40.753  17.160   4.509
   30    HE1  PHE   5           HE1      PHE   5  42.175  20.596   1.191
   31    HE2  PHE   5           HE2      PHE   5  39.050  18.603   3.401
   32    HZ   PHE   5           HZ       PHE   5  39.757  20.290   1.710
   33    H    PHE   6           HN       PHE   6  44.710  15.475   4.908
   34    HA   PHE   6           HA       PHE   6  47.300  15.716   6.195
   35    HB2  PHE   6           HB2      PHE   6  45.248  13.744   7.237
   36    HB3  PHE   6           HB1      PHE   6  46.955  13.766   7.680
   37    HD1  PHE   6           HD1      PHE   6  43.685  15.335   8.171
   38    HD2  PHE   6           HD2      PHE   6  47.921  15.724   8.913
   39    HE1  PHE   6           HE1      PHE   6  43.223  17.054   9.916
   40    HE2  PHE   6           HE2      PHE   6  47.457  17.443  10.657
   41    HZ   PHE   6           HZ       PHE   6  45.113  18.151  11.114
   42    H    ARG   7           HN       ARG   7  44.976  14.075   4.237
   43    HA   ARG   7           HA       ARG   7  46.515  11.773   3.580
   44    HB2  ARG   7           HB2      ARG   7  44.033  12.056   3.218
   45    HB3  ARG   7           HB1      ARG   7  44.418  13.110   1.859
   46    HG2  ARG   7           HG2      ARG   7  45.622  11.313   0.744
   47    HG3  ARG   7           HG1      ARG   7  45.402  10.255   2.137
   48    HD2  ARG   7           HD2      ARG   7  42.960  10.341   1.828
   49    HD3  ARG   7           HD1      ARG   7  43.169  11.410   0.442
   50    HE   ARG   7           HE       ARG   7  44.710   9.106  -0.080
   51   HH11  ARG   7          HH11      ARG   7  42.063  10.429  -1.307
   52   HH12  ARG   7          HH12      ARG   7  41.126   8.985  -1.501
   53   HH21  ARG   7          HH21      ARG   7  43.235   7.038   0.444
   54   HH22  ARG   7          HH22      ARG   7  41.790   7.065  -0.510
   55    H    ARG   8           HN       ARG   8  46.654  15.074   2.588
   56    HA   ARG   8           HA       ARG   8  49.045  14.648   1.088
   57    HB2  ARG   8           HB2      ARG   8  48.094  15.524  -1.094
   58    HB3  ARG   8           HB1      ARG   8  47.619  13.879  -0.673
   59    HG2  ARG   8           HG2      ARG   8  45.474  14.632   0.147
   60    HG3  ARG   8           HG1      ARG   8  45.948  16.323  -0.030
   61    HD2  ARG   8           HD2      ARG   8  44.554  15.704  -1.925
   62    HD3  ARG   8           HD1      ARG   8  46.208  15.939  -2.491
   63    HE   ARG   8           HE       ARG   8  45.818  13.182  -1.813
   64   HH11  ARG   8          HH11      ARG   8  47.161  13.230  -4.179
   65   HH12  ARG   8          HH12      ARG   8  45.989  13.150  -5.451
   66   HH21  ARG   8          HH21      ARG   8  43.337  14.095  -3.426
   67   HH22  ARG   8          HH22      ARG   8  43.822  13.638  -5.025
   68    H    ALA   9           HN       ALA   9  47.935  16.310   3.258
   69    HA   ALA   9           HA       ALA   9  47.511  18.967   2.424
   70    HB1  ALA   9           HB1      ALA   9  48.690  17.908   4.995
   71    HB2  ALA   9           HB2      ALA   9  46.986  18.232   4.679
   72    HB3  ALA   9           HB3      ALA   9  48.141  19.563   4.740
   73    H    ALA  10           HN       ALA  10  48.905  19.908   1.039
   74    HA   ALA  10           HA       ALA  10  50.854  20.758   0.170
   75    HB1  ALA  10           HB1      ALA  10  50.825  22.115   2.157
   76    HB2  ALA  10           HB2      ALA  10  52.484  21.588   1.874
   77    HB3  ALA  10           HB3      ALA  10  51.509  20.804   3.117
   78    H    HIS  11           HN       HIS  11  50.680  17.997   0.002
   79    HA   HIS  11           HA       HIS  11  51.939  16.099  -0.321
   80    HB2  HIS  11           HB2      HIS  11  54.274  18.014  -0.462
   81    HB3  HIS  11           HB1      HIS  11  54.128  16.435  -1.235
   82    HD1  HIS  11           HD1      HIS  11  54.366  19.485  -2.532
   83    HD2  HIS  11           HD2      HIS  11  51.052  16.958  -2.500
   84    HE1  HIS  11           HE1      HIS  11  52.904  20.195  -4.475
   85    H    VAL  12           HN       VAL  12  51.477  15.566   1.961
   86    HA   VAL  12           HA       VAL  12  53.257  16.145   4.070
   87    HB   VAL  12           HB       VAL  12  52.250  14.165   5.201
   88   HG11  VAL  12          HG11      VAL  12  49.911  15.017   5.158
   89   HG12  VAL  12          HG12      VAL  12  50.313  15.987   3.740
   90   HG13  VAL  12          HG13      VAL  12  51.092  16.321   5.286
   91   HG21  VAL  12          HG21      VAL  12  51.994  12.644   3.345
   92   HG22  VAL  12          HG22      VAL  12  50.987  13.796   2.468
   93   HG23  VAL  12          HG23      VAL  12  50.373  13.021   3.930
   94    H    GLY  13           HN       GLY  13  53.192  13.560   1.666
   95    HA2  GLY  13           HA1      GLY  13  55.898  13.102   1.554
   96    HA3  GLY  13           HA2      GLY  13  55.319  12.050   2.838
   97    H    ARG  14           HN       ARG  14  55.330  12.682  -0.581
   98    HA   ARG  14           HA       ARG  14  53.473  10.627  -1.310
   99    HB2  ARG  14           HB2      ARG  14  54.005  12.545  -2.785
  100    HB3  ARG  14           HB1      ARG  14  55.646  11.927  -2.969
  101    HG2  ARG  14           HG2      ARG  14  54.845   9.909  -4.026
  102    HG3  ARG  14           HG1      ARG  14  53.170  10.329  -3.668
  103    HD2  ARG  14           HD2      ARG  14  53.288  12.261  -5.145
  104    HD3  ARG  14           HD1      ARG  14  55.006  11.978  -5.429
  105    HE   ARG  14           HE       ARG  14  52.856  10.650  -6.797
  106   HH11  ARG  14          HH11      ARG  14  53.234   8.625  -7.781
  107   HH12  ARG  14          HH12      ARG  14  54.836   7.969  -7.750
  108   HH21  ARG  14          HH21      ARG  14  56.105  10.469  -5.708
  109   HH22  ARG  14          HH22      ARG  14  56.463   9.013  -6.576
  110    H    HIS  15           HN       HIS  15  56.799  10.688  -0.416
  111    HA   HIS  15           HA       HIS  15  57.827   8.470  -1.765
  112    HB2  HIS  15           HB2      HIS  15  58.423   9.426   1.046
  113    HB3  HIS  15           HB1      HIS  15  59.412   8.289   0.130
  114    HD1  HIS  15           HD1      HIS  15  57.899  10.945  -1.914
  115    HD2  HIS  15           HD2      HIS  15  61.415  10.478   0.271
  116    HE1  HIS  15           HE1      HIS  15  59.492  12.738  -2.728
  117    H    VAL  16           HN       VAL  16  57.197   8.227   1.704
  118    HA   VAL  16           HA       VAL  16  56.668   5.442   1.575
  119    HB   VAL  16           HB       VAL  16  57.521   6.507   3.628
  120   HG11  VAL  16          HG11      VAL  16  56.195   8.621   3.351
  121   HG12  VAL  16          HG12      VAL  16  56.116   7.947   4.978
  122   HG13  VAL  16          HG13      VAL  16  54.760   7.738   3.871
  123   HG21  VAL  16          HG21      VAL  16  54.749   5.390   4.139
  124   HG22  VAL  16          HG22      VAL  16  56.161   5.286   5.189
  125   HG23  VAL  16          HG23      VAL  16  56.120   4.383   3.675
  126    H    GLY  17           HN       GLY  17  54.678   8.244   1.193
  127    HA2  GLY  17           HA1      GLY  17  52.171   7.332   1.937
  128    HA3  GLY  17           HA2      GLY  17  52.468   8.473   0.632
  129    H    ARG  18           HN       ARG  18  53.252   7.421  -1.455
  130    HA   ARG  18           HA       ARG  18  51.337   5.370  -2.184
  131    HB2  ARG  18           HB2      ARG  18  53.491   6.728  -3.823
  132    HB3  ARG  18           HB1      ARG  18  52.194   5.715  -4.456
  133    HG2  ARG  18           HG2      ARG  18  50.537   7.298  -3.434
  134    HG3  ARG  18           HG1      ARG  18  51.883   8.350  -2.993
  135    HD2  ARG  18           HD2      ARG  18  52.537   8.452  -5.402
  136    HD3  ARG  18           HD1      ARG  18  51.099   7.511  -5.799
  137    HE   ARG  18           HE       ARG  18  50.246   9.743  -4.279
  138   HH11  ARG  18          HH11      ARG  18  51.276   8.737  -7.390
  139   HH12  ARG  18          HH12      ARG  18  50.870  10.234  -8.165
  140   HH21  ARG  18          HH21      ARG  18  49.927  11.806  -5.221
  141   HH22  ARG  18          HH22      ARG  18  50.106  11.971  -6.937
  142    H    ALA  19           HN       ALA  19  54.808   5.619  -1.658
  143    HA   ALA  19           HA       ALA  19  56.482   4.043  -1.644
  144    HB1  ALA  19           HB1      ALA  19  54.226   2.163  -0.941
  145    HB2  ALA  19           HB2      ALA  19  55.010   3.245   0.209
  146    HB3  ALA  19           HB3      ALA  19  55.937   1.960  -0.564
  147    H    ALA  20           HN       ALA  20  55.777   1.123  -2.198
  148    HA   ALA  20           HA       ALA  20  55.033   1.070  -4.997
  149    HB1  ALA  20           HB1      ALA  20  57.218   0.066  -5.699
  150    HB2  ALA  20           HB2      ALA  20  57.883   0.554  -4.140
  151    HB3  ALA  20           HB3      ALA  20  57.314   1.775  -5.278
  152    H    LEU  21           HN       LEU  21  56.838  -0.772  -2.523
  153    HA   LEU  21           HA       LEU  21  55.834  -3.301  -3.423
  154    HB2  LEU  21           HB2      LEU  21  56.970  -2.744  -0.680
  155    HB3  LEU  21           HB1      LEU  21  57.033  -4.242  -1.607
  156    HG   LEU  21           HG       LEU  21  58.452  -1.651  -2.301
  157   HD11  LEU  21          HD11      LEU  21  60.489  -2.971  -1.849
  158   HD12  LEU  21          HD12      LEU  21  59.493  -4.355  -1.401
  159   HD13  LEU  21          HD13      LEU  21  59.458  -2.889  -0.420
  160   HD21  LEU  21          HD21      LEU  21  59.552  -3.201  -4.042
  161   HD22  LEU  21          HD22      LEU  21  57.898  -2.695  -4.375
  162   HD23  LEU  21          HD23      LEU  21  58.213  -4.310  -3.737
  163    H    THR  22           HN       THR  22  53.533  -2.533  -3.454
  164    HA   THR  22           HA       THR  22  52.149  -3.590  -1.173
  165    HB   THR  22           HB       THR  22  51.687  -0.650  -1.743
  166    HG1  THR  22           HG1      THR  22  52.982  -0.208  -0.097
  167   HG21  THR  22          HG21      THR  22  50.400  -0.784   0.367
  168   HG22  THR  22          HG22      THR  22  50.748  -2.511   0.458
  169   HG23  THR  22          HG23      THR  22  49.756  -1.880  -0.856
  170    H    HIS  23           HN       HIS  23  51.803  -1.441  -3.995
  171    HA   HIS  23           HA       HIS  23  49.124  -2.107  -4.578
  172    HB2  HIS  23           HB2      HIS  23  51.308  -1.201  -6.470
  173    HB3  HIS  23           HB1      HIS  23  49.575  -1.155  -6.794
  174    HD1  HIS  23           HD1      HIS  23  50.625  -0.344  -3.334
  175    HD2  HIS  23           HD2      HIS  23  49.865   1.761  -6.849
  176    HE1  HIS  23           HE1      HIS  23  50.360   2.086  -2.670
  177    H    TYR  24           HN       TYR  24  48.973  -4.389  -4.356
  178    HA   TYR  24           HA       TYR  24  50.524  -6.267  -5.757
  179    HB2  TYR  24           HB2      TYR  24  47.644  -6.450  -4.843
  180    HB3  TYR  24           HB1      TYR  24  48.633  -7.816  -5.363
  181    HD1  TYR  24           HD1      TYR  24  50.528  -8.610  -4.009
  182    HD2  TYR  24           HD2      TYR  24  48.064  -5.312  -2.714
  183    HE1  TYR  24           HE1      TYR  24  51.488  -8.793  -1.717
  184    HE2  TYR  24           HE2      TYR  24  49.026  -5.494  -0.422
  185    HH   TYR  24           HH       TYR  24  51.616  -6.507   0.326
  186    H    LEU  25           HN       LEU  25  50.406  -7.129  -7.772
  187    HA   LEU  25           HA       LEU  25  49.810  -7.393  -9.971
  188    HB2  LEU  25           HB2      LEU  25  47.504  -7.738  -8.729
  189    HB3  LEU  25           HB1      LEU  25  47.101  -6.178  -9.435
  190    HG   LEU  25           HG       LEU  25  47.971  -8.671 -10.934
  191   HD11  LEU  25          HD11      LEU  25  45.361  -7.126 -10.958
  192   HD12  LEU  25          HD12      LEU  25  45.628  -8.636 -10.088
  193   HD13  LEU  25          HD13      LEU  25  45.709  -8.609 -11.849
  194   HD21  LEU  25          HD21      LEU  25  48.888  -6.850 -12.164
  195   HD22  LEU  25          HD22      LEU  25  47.493  -5.819 -11.840
  196   HD23  LEU  25          HD23      LEU  25  47.347  -7.179 -12.952
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1  42.846  14.204   9.648
    2    H2   GLY   1           HT2      GLY   1  43.225  13.377   8.213
    3    H3   GLY   1           HT3      GLY   1  42.557  14.939   8.149
    4    HA2  GLY   1           HA1      GLY   1  45.255  14.077   8.671
    5    HA3  GLY   1           HA2      GLY   1  44.662  15.500   7.826
    6    H    TRP   2           HN       TRP   2  46.453  16.458   9.154
    7    HA   TRP   2           HA       TRP   2  45.331  17.905  11.344
    8    HB2  TRP   2           HB2      TRP   2  45.802  15.775  12.510
    9    HB3  TRP   2           HB1      TRP   2  47.493  15.894  12.021
   10    HD1  TRP   2           HD1      TRP   2  44.873  17.883  14.043
   11    HE1  TRP   2           HE1      TRP   2  46.103  19.211  15.878
   12    HE3  TRP   2           HE3      TRP   2  49.717  16.741  12.845
   13    HZ2  TRP   2           HZ2      TRP   2  48.797  19.729  16.738
   14    HZ3  TRP   2           HZ3      TRP   2  51.601  17.664  14.187
   15    HH2  TRP   2           HH2      TRP   2  51.146  19.155  16.130
   16    H    GLY   3           HN       GLY   3  47.254  17.677   8.803
   17    HA2  GLY   3           HA1      GLY   3  48.544  20.146   9.191
   18    HA3  GLY   3           HA2      GLY   3  49.700  18.852   9.483
   19    H    SER   4           HN       SER   4  48.882  16.982   7.618
   20    HA   SER   4           HA       SER   4  50.089  17.992   5.244
   21    HB2  SER   4           HB2      SER   4  50.283  15.635   5.884
   22    HB3  SER   4           HB1      SER   4  48.542  15.432   5.717
   23    HG   SER   4           HG       SER   4  50.092  14.917   3.866
   24    H    PHE   5           HN       PHE   5  46.805  16.670   5.746
   25    HA   PHE   5           HA       PHE   5  45.746  17.548   3.304
   26    HB2  PHE   5           HB2      PHE   5  44.678  15.881   4.826
   27    HB3  PHE   5           HB1      PHE   5  44.241  17.205   5.908
   28    HD1  PHE   5           HD1      PHE   5  43.694  15.722   2.549
   29    HD2  PHE   5           HD2      PHE   5  42.474  18.779   5.341
   30    HE1  PHE   5           HE1      PHE   5  41.681  16.190   1.156
   31    HE2  PHE   5           HE2      PHE   5  40.461  19.247   3.948
   32    HZ   PHE   5           HZ       PHE   5  40.042  17.922   1.880
   33    H    PHE   6           HN       PHE   6  46.288  19.666   2.836
   34    HA   PHE   6           HA       PHE   6  44.554  21.684   3.865
   35    HB2  PHE   6           HB2      PHE   6  46.251  21.518   5.717
   36    HB3  PHE   6           HB1      PHE   6  47.481  22.015   4.556
   37    HD1  PHE   6           HD1      PHE   6  47.429  24.277   3.533
   38    HD2  PHE   6           HD2      PHE   6  44.590  23.088   6.560
   39    HE1  PHE   6           HE1      PHE   6  46.803  26.663   3.883
   40    HE2  PHE   6           HE2      PHE   6  43.963  25.475   6.909
   41    HZ   PHE   6           HZ       PHE   6  45.044  27.259   5.544
   42    H    ARG   7           HN       ARG   7  47.520  20.869   2.140
   43    HA   ARG   7           HA       ARG   7  47.747  23.217   0.593
   44    HB2  ARG   7           HB2      ARG   7  48.523  20.433  -0.299
   45    HB3  ARG   7           HB1      ARG   7  49.228  21.965  -0.815
   46    HG2  ARG   7           HG2      ARG   7  49.343  20.839   2.002
   47    HG3  ARG   7           HG1      ARG   7  50.669  20.829   0.841
   48    HD2  ARG   7           HD2      ARG   7  50.310  23.414   0.743
   49    HD3  ARG   7           HD1      ARG   7  49.427  23.187   2.255
   50    HE   ARG   7           HE       ARG   7  51.491  22.800   3.330
   51   HH11  ARG   7          HH11      ARG   7  52.262  24.028   0.412
   52   HH12  ARG   7          HH12      ARG   7  53.754  23.177   0.196
   53   HH21  ARG   7          HH21      ARG   7  53.207  21.008   2.846
   54   HH22  ARG   7          HH22      ARG   7  54.289  21.466   1.572
   55    H    ARG   8           HN       ARG   8  46.503  20.029  -0.437
   56    HA   ARG   8           HA       ARG   8  45.036  19.457  -2.117
   57    HB2  ARG   8           HB2      ARG   8  43.666  21.985  -1.167
   58    HB3  ARG   8           HB1      ARG   8  42.915  20.686  -2.093
   59    HG2  ARG   8           HG2      ARG   8  43.224  19.117  -0.291
   60    HG3  ARG   8           HG1      ARG   8  44.226  20.261   0.604
   61    HD2  ARG   8           HD2      ARG   8  41.870  20.137   1.453
   62    HD3  ARG   8           HD1      ARG   8  42.338  21.752   0.923
   63    HE   ARG   8           HE       ARG   8  41.156  20.438  -1.295
   64   HH11  ARG   8          HH11      ARG   8  39.043  19.328   0.093
   65   HH12  ARG   8          HH12      ARG   8  37.969  20.627   0.491
   66   HH21  ARG   8          HH21      ARG   8  40.343  23.101  -0.025
   67   HH22  ARG   8          HH22      ARG   8  38.704  22.763   0.424
   68    H    ALA   9           HN       ALA   9  47.309  21.040  -2.915
   69    HA   ALA   9           HA       ALA   9  46.423  21.801  -5.538
   70    HB1  ALA   9           HB1      ALA   9  47.489  23.980  -3.734
   71    HB2  ALA   9           HB2      ALA   9  45.809  23.822  -4.247
   72    HB3  ALA   9           HB3      ALA   9  47.068  24.142  -5.439
   73    H    ALA  10           HN       ALA  10  48.411  20.134  -3.983
   74    HA   ALA  10           HA       ALA  10  50.583  20.385  -5.814
   75    HB1  ALA  10           HB1      ALA  10  52.323  21.104  -4.343
   76    HB2  ALA  10           HB2      ALA  10  51.238  21.082  -2.953
   77    HB3  ALA  10           HB3      ALA  10  51.023  22.288  -4.220
   78    H    HIS  11           HN       HIS  11  52.477  19.332  -3.729
   79    HA   HIS  11           HA       HIS  11  51.814  16.555  -4.034
   80    HB2  HIS  11           HB2      HIS  11  53.994  17.860  -2.385
   81    HB3  HIS  11           HB1      HIS  11  53.900  16.152  -2.814
   82    HD1  HIS  11           HD1      HIS  11  52.699  18.152  -5.577
   83    HD2  HIS  11           HD2      HIS  11  56.468  17.024  -4.200
   84    HE1  HIS  11           HE1      HIS  11  54.294  18.466  -7.518
   85    H    VAL  12           HN       VAL  12  49.658  17.005  -2.866
   86    HA   VAL  12           HA       VAL  12  49.410  17.492  -0.155
   87    HB   VAL  12           HB       VAL  12  47.806  15.394  -1.645
   88   HG11  VAL  12          HG11      VAL  12  47.213  17.216   0.707
   89   HG12  VAL  12          HG12      VAL  12  47.383  15.461   0.754
   90   HG13  VAL  12          HG13      VAL  12  46.017  16.193  -0.088
   91   HG21  VAL  12          HG21      VAL  12  47.532  18.415  -1.583
   92   HG22  VAL  12          HG22      VAL  12  46.285  17.324  -2.184
   93   HG23  VAL  12          HG23      VAL  12  47.846  17.413  -2.999
   94    H    GLY  13           HN       GLY  13  49.268  14.184  -1.489
   95    HA2  GLY  13           HA1      GLY  13  51.324  12.997  -0.113
   96    HA3  GLY  13           HA2      GLY  13  49.985  13.020   1.027
   97    H    ARG  14           HN       ARG  14  49.407  12.755  -2.396
   98    HA   ARG  14           HA       ARG  14  47.962  10.309  -2.063
   99    HB2  ARG  14           HB2      ARG  14  48.854  11.775  -4.557
  100    HB3  ARG  14           HB1      ARG  14  47.757  10.395  -4.544
  101    HG2  ARG  14           HG2      ARG  14  46.181  11.636  -3.125
  102    HG3  ARG  14           HG1      ARG  14  47.283  13.014  -3.091
  103    HD2  ARG  14           HD2      ARG  14  45.448  13.261  -4.782
  104    HD3  ARG  14           HD1      ARG  14  47.060  13.317  -5.493
  105    HE   ARG  14           HE       ARG  14  46.107  10.616  -5.533
  106   HH11  ARG  14          HH11      ARG  14  45.395   9.790  -7.511
  107   HH12  ARG  14          HH12      ARG  14  44.914  10.881  -8.768
  108   HH21  ARG  14          HH21      ARG  14  45.581  13.732  -6.912
  109   HH22  ARG  14          HH22      ARG  14  45.021  13.112  -8.430
  110    H    HIS  15           HN       HIS  15  51.247  11.090  -2.710
  111    HA   HIS  15           HA       HIS  15  51.981   8.711  -4.105
  112    HB2  HIS  15           HB2      HIS  15  53.711  10.540  -2.423
  113    HB3  HIS  15           HB1      HIS  15  54.275   9.378  -3.624
  114    HD1  HIS  15           HD1      HIS  15  52.665   9.837  -6.037
  115    HD2  HIS  15           HD2      HIS  15  53.859  13.018  -3.625
  116    HE1  HIS  15           HE1      HIS  15  52.513  11.918  -7.470
  117    H    VAL  16           HN       VAL  16  52.552   9.728  -0.726
  118    HA   VAL  16           HA       VAL  16  53.346   7.076   0.077
  119    HB   VAL  16           HB       VAL  16  52.591   9.403   1.866
  120   HG11  VAL  16          HG11      VAL  16  52.752   7.268   3.028
  121   HG12  VAL  16          HG12      VAL  16  54.169   8.241   3.422
  122   HG13  VAL  16          HG13      VAL  16  54.300   6.927   2.253
  123   HG21  VAL  16          HG21      VAL  16  54.973   9.983   1.841
  124   HG22  VAL  16          HG22      VAL  16  54.335  10.031   0.197
  125   HG23  VAL  16          HG23      VAL  16  55.306   8.657   0.727
  126    H    GLY  17           HN       GLY  17  50.471   9.113   0.509
  127    HA2  GLY  17           HA1      GLY  17  49.009   7.532   2.244
  128    HA3  GLY  17           HA2      GLY  17  48.302   8.572   1.014
  129    H    ARG  18           HN       ARG  18  49.149   7.337  -1.303
  130    HA   ARG  18           HA       ARG  18  47.299   5.161  -1.472
  131    HB2  ARG  18           HB2      ARG  18  47.827   6.781  -3.332
  132    HB3  ARG  18           HB1      ARG  18  49.379   5.962  -3.516
  133    HG2  ARG  18           HG2      ARG  18  48.229   3.835  -3.947
  134    HG3  ARG  18           HG1      ARG  18  46.666   4.622  -3.722
  135    HD2  ARG  18           HD2      ARG  18  47.035   4.534  -6.087
  136    HD3  ARG  18           HD1      ARG  18  47.330   6.205  -5.607
  137    HE   ARG  18           HE       ARG  18  49.578   5.915  -6.251
  138   HH11  ARG  18          HH11      ARG  18  48.037   3.252  -7.347
  139   HH12  ARG  18          HH12      ARG  18  49.359   2.146  -7.173
  140   HH21  ARG  18          HH21      ARG  18  51.293   4.335  -5.306
  141   HH22  ARG  18          HH22      ARG  18  51.202   2.759  -6.016
  142    H    ALA  19           HN       ALA  19  50.764   5.210  -2.332
  143    HA   ALA  19           HA       ALA  19  51.118   2.440  -2.340
  144    HB1  ALA  19           HB1      ALA  19  53.168   4.551  -1.659
  145    HB2  ALA  19           HB2      ALA  19  52.720   4.058  -3.291
  146    HB3  ALA  19           HB3      ALA  19  53.501   2.909  -2.206
  147    H    ALA  20           HN       ALA  20  53.076   1.646  -0.720
  148    HA   ALA  20           HA       ALA  20  52.727   2.358   2.026
  149    HB1  ALA  20           HB1      ALA  20  50.615   1.168   1.716
  150    HB2  ALA  20           HB2      ALA  20  51.693   0.258   2.775
  151    HB3  ALA  20           HB3      ALA  20  51.485  -0.234   1.094
  152    H    LEU  21           HN       LEU  21  53.653   0.347   3.403
  153    HA   LEU  21           HA       LEU  21  56.346   0.013   2.467
  154    HB2  LEU  21           HB2      LEU  21  55.102  -1.462   4.792
  155    HB3  LEU  21           HB1      LEU  21  56.783  -0.972   4.576
  156    HG   LEU  21           HG       LEU  21  54.414   0.870   5.016
  157   HD11  LEU  21          HD11      LEU  21  55.533   1.388   7.130
  158   HD12  LEU  21          HD12      LEU  21  56.854   0.293   6.723
  159   HD13  LEU  21          HD13      LEU  21  55.238  -0.347   7.021
  160   HD21  LEU  21          HD21      LEU  21  56.310   2.611   5.178
  161   HD22  LEU  21          HD22      LEU  21  55.897   2.047   3.561
  162   HD23  LEU  21          HD23      LEU  21  57.327   1.413   4.376
  163    H    THR  22           HN       THR  22  53.447  -1.930   2.443
  164    HA   THR  22           HA       THR  22  54.559  -4.479   2.074
  165    HB   THR  22           HB       THR  22  52.424  -5.146   1.177
  166    HG1  THR  22           HG1      THR  22  51.266  -3.835   0.021
  167   HG21  THR  22          HG21      THR  22  52.029  -2.887   3.160
  168   HG22  THR  22          HG22      THR  22  52.451  -4.549   3.572
  169   HG23  THR  22          HG23      THR  22  50.884  -4.191   2.846
  170    H    HIS  23           HN       HIS  23  55.438  -5.516   0.369
  171    HA   HIS  23           HA       HIS  23  56.334  -4.004  -1.885
  172    HB2  HIS  23           HB2      HIS  23  56.347  -7.001  -1.446
  173    HB3  HIS  23           HB1      HIS  23  57.284  -6.125  -2.658
  174    HD1  HIS  23           HD1      HIS  23  57.203  -6.983   0.960
  175    HD2  HIS  23           HD2      HIS  23  59.415  -4.504  -1.560
  176    HE1  HIS  23           HE1      HIS  23  59.241  -6.255   2.276
  177    H    TYR  24           HN       TYR  24  55.898  -4.575  -4.145
  178    HA   TYR  24           HA       TYR  24  53.624  -6.125  -4.879
  179    HB2  TYR  24           HB2      TYR  24  52.458  -4.210  -3.818
  180    HB3  TYR  24           HB1      TYR  24  53.255  -3.122  -4.954
  181    HD1  TYR  24           HD1      TYR  24  50.868  -5.966  -4.655
  182    HD2  TYR  24           HD2      TYR  24  52.509  -2.926  -7.244
  183    HE1  TYR  24           HE1      TYR  24  49.100  -6.448  -6.344
  184    HE2  TYR  24           HE2      TYR  24  50.741  -3.409  -8.932
  185    HH   TYR  24           HH       TYR  24  48.787  -6.221  -8.761
  186    H    LEU  25           HN       LEU  25  54.920  -6.945  -6.492
  187    HA   LEU  25           HA       LEU  25  56.404  -5.270  -8.297
  188    HB2  LEU  25           HB2      LEU  25  55.618  -8.150  -8.765
  189    HB3  LEU  25           HB1      LEU  25  57.018  -7.286  -9.399
  190    HG   LEU  25           HG       LEU  25  56.522  -7.973  -6.486
  191   HD11  LEU  25          HD11      LEU  25  57.156  -9.909  -7.872
  192   HD12  LEU  25          HD12      LEU  25  58.474  -9.461  -6.788
  193   HD13  LEU  25          HD13      LEU  25  58.544  -9.017  -8.494
  194   HD21  LEU  25          HD21      LEU  25  58.981  -7.173  -6.335
  195   HD22  LEU  25          HD22      LEU  25  57.744  -5.930  -6.485
  196   HD23  LEU  25          HD23      LEU  25  58.696  -6.400  -7.895
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1  47.555  13.332  11.461
    2    H2   GLY   1           HT2      GLY   1  49.117  12.751  11.794
    3    H3   GLY   1           HT3      GLY   1  48.164  12.006  10.600
    4    HA2  GLY   1           HA1      GLY   1  49.994  13.553   9.876
    5    HA3  GLY   1           HA2      GLY   1  48.409  13.694   9.128
    6    H    TRP   2           HN       TRP   2  50.024  15.824   8.945
    7    HA   TRP   2           HA       TRP   2  48.513  17.876  10.239
    8    HB2  TRP   2           HB2      TRP   2  50.006  17.184  12.112
    9    HB3  TRP   2           HB1      TRP   2  51.398  17.590  11.109
   10    HD1  TRP   2           HD1      TRP   2  51.527  20.206  10.259
   11    HE1  TRP   2           HE1      TRP   2  50.822  22.355  11.495
   12    HE3  TRP   2           HE3      TRP   2  48.418  18.199  13.799
   13    HZ2  TRP   2           HZ2      TRP   2  49.155  23.136  13.703
   14    HZ3  TRP   2           HZ3      TRP   2  47.281  19.665  15.459
   15    HH2  TRP   2           HH2      TRP   2  47.647  22.129  15.415
   16    H    GLY   3           HN       GLY   3  51.789  17.304   8.930
   17    HA2  GLY   3           HA1      GLY   3  51.961  19.795   7.601
   18    HA3  GLY   3           HA2      GLY   3  52.976  18.391   7.298
   19    H    SER   4           HN       SER   4  50.462  16.792   6.766
   20    HA   SER   4           HA       SER   4  50.460  17.022   3.952
   21    HB2  SER   4           HB2      SER   4  49.860  14.919   4.917
   22    HB3  SER   4           HB1      SER   4  48.581  15.651   5.881
   23    HG   SER   4           HG       SER   4  47.768  14.637   3.998
   24    H    PHE   5           HN       PHE   5  47.831  17.758   6.261
   25    HA   PHE   5           HA       PHE   5  46.091  18.975   4.456
   26    HB2  PHE   5           HB2      PHE   5  46.484  19.658   7.379
   27    HB3  PHE   5           HB1      PHE   5  45.058  20.030   6.409
   28    HD1  PHE   5           HD1      PHE   5  47.011  17.340   8.032
   29    HD2  PHE   5           HD2      PHE   5  43.484  18.283   5.731
   30    HE1  PHE   5           HE1      PHE   5  46.087  15.080   8.525
   31    HE2  PHE   5           HE2      PHE   5  42.559  16.022   6.223
   32    HZ   PHE   5           HZ       PHE   5  43.854  14.426   7.631
   33    H    PHE   6           HN       PHE   6  46.238  20.781   3.297
   34    HA   PHE   6           HA       PHE   6  47.225  23.242   4.326
   35    HB2  PHE   6           HB2      PHE   6  49.399  22.103   3.988
   36    HB3  PHE   6           HB1      PHE   6  48.995  21.871   2.286
   37    HD1  PHE   6           HD1      PHE   6  49.689  24.410   4.914
   38    HD2  PHE   6           HD2      PHE   6  49.124  23.692   0.696
   39    HE1  PHE   6           HE1      PHE   6  50.511  26.709   4.412
   40    HE2  PHE   6           HE2      PHE   6  49.948  25.988   0.194
   41    HZ   PHE   6           HZ       PHE   6  50.548  27.528   2.059
   42    H    ARG   7           HN       ARG   7  46.509  21.268   1.488
   43    HA   ARG   7           HA       ARG   7  44.677  23.225   0.470
   44    HB2  ARG   7           HB2      ARG   7  46.960  24.127  -0.212
   45    HB3  ARG   7           HB1      ARG   7  47.120  22.702  -1.237
   46    HG2  ARG   7           HG2      ARG   7  45.172  23.323  -2.525
   47    HG3  ARG   7           HG1      ARG   7  44.786  24.633  -1.409
   48    HD2  ARG   7           HD2      ARG   7  46.796  25.834  -2.035
   49    HD3  ARG   7           HD1      ARG   7  47.348  24.478  -3.020
   50    HE   ARG   7           HE       ARG   7  44.741  25.452  -3.861
   51   HH11  ARG   7          HH11      ARG   7  45.524  25.010  -6.234
   52   HH12  ARG   7          HH12      ARG   7  46.633  26.222  -6.785
   53   HH21  ARG   7          HH21      ARG   7  47.310  27.428  -3.605
   54   HH22  ARG   7          HH22      ARG   7  47.642  27.590  -5.296
   55    H    ARG   8           HN       ARG   8  46.012  20.163   0.675
   56    HA   ARG   8           HA       ARG   8  45.352  18.112  -0.098
   57    HB2  ARG   8           HB2      ARG   8  43.051  19.237   0.327
   58    HB3  ARG   8           HB1      ARG   8  42.972  19.426  -1.422
   59    HG2  ARG   8           HG2      ARG   8  43.223  17.007  -1.725
   60    HG3  ARG   8           HG1      ARG   8  43.397  16.787   0.017
   61    HD2  ARG   8           HD2      ARG   8  41.141  17.533   0.413
   62    HD3  ARG   8           HD1      ARG   8  40.958  18.043  -1.266
   63    HE   ARG   8           HE       ARG   8  40.272  15.836  -1.677
   64   HH11  ARG   8          HH11      ARG   8  40.247  15.134   1.254
   65   HH12  ARG   8          HH12      ARG   8  41.330  13.784   1.304
   66   HH21  ARG   8          HH21      ARG   8  42.709  14.439  -1.810
   67   HH22  ARG   8          HH22      ARG   8  42.725  13.392  -0.431
   68    H    ALA   9           HN       ALA   9  46.285  20.624  -1.985
   69    HA   ALA   9           HA       ALA   9  45.872  19.533  -4.611
   70    HB1  ALA   9           HB1      ALA   9  47.776  21.656  -3.616
   71    HB2  ALA   9           HB2      ALA   9  46.169  21.927  -4.290
   72    HB3  ALA   9           HB3      ALA   9  47.459  21.291  -5.311
   73    H    ALA  10           HN       ALA  10  46.722  17.547  -4.938
   74    HA   ALA  10           HA       ALA  10  48.289  15.908  -5.273
   75    HB1  ALA  10           HB1      ALA  10  50.438  16.577  -6.028
   76    HB2  ALA  10           HB2      ALA  10  50.348  18.109  -5.161
   77    HB3  ALA  10           HB3      ALA  10  49.320  17.829  -6.567
   78    H    HIS  11           HN       HIS  11  48.003  17.572  -2.483
   79    HA   HIS  11           HA       HIS  11  50.322  16.617  -1.049
   80    HB2  HIS  11           HB2      HIS  11  47.714  17.853  -0.136
   81    HB3  HIS  11           HB1      HIS  11  49.029  17.418   0.955
   82    HD1  HIS  11           HD1      HIS  11  51.489  18.469   0.002
   83    HD2  HIS  11           HD2      HIS  11  47.957  20.490  -0.893
   84    HE1  HIS  11           HE1      HIS  11  52.156  20.827  -0.636
   85    H    VAL  12           HN       VAL  12  46.899  16.040  -0.265
   86    HA   VAL  12           HA       VAL  12  47.352  13.647   1.122
   87    HB   VAL  12           HB       VAL  12  44.826  14.523  -0.317
   88   HG11  VAL  12          HG11      VAL  12  44.647  12.186   0.199
   89   HG12  VAL  12          HG12      VAL  12  43.763  13.040   1.463
   90   HG13  VAL  12          HG13      VAL  12  45.380  12.415   1.786
   91   HG21  VAL  12          HG21      VAL  12  45.636  14.839   2.591
   92   HG22  VAL  12          HG22      VAL  12  44.171  15.459   1.830
   93   HG23  VAL  12          HG23      VAL  12  45.744  16.126   1.391
   94    H    GLY  13           HN       GLY  13  47.075  14.305  -2.272
   95    HA2  GLY  13           HA1      GLY  13  46.342  11.751  -3.202
   96    HA3  GLY  13           HA2      GLY  13  47.211  12.968  -4.127
   97    H    ARG  14           HN       ARG  14  49.572  13.235  -2.917
   98    HA   ARG  14           HA       ARG  14  50.932  10.806  -3.617
   99    HB2  ARG  14           HB2      ARG  14  51.907  13.395  -2.389
  100    HB3  ARG  14           HB1      ARG  14  52.966  12.071  -2.875
  101    HG2  ARG  14           HG2      ARG  14  52.029  12.225  -5.187
  102    HG3  ARG  14           HG1      ARG  14  51.095  13.632  -4.679
  103    HD2  ARG  14           HD2      ARG  14  53.192  14.796  -4.066
  104    HD3  ARG  14           HD1      ARG  14  54.118  13.396  -4.609
  105    HE   ARG  14           HE       ARG  14  52.951  15.422  -6.323
  106   HH11  ARG  14          HH11      ARG  14  55.372  14.173  -7.236
  107   HH12  ARG  14          HH12      ARG  14  54.844  13.002  -8.398
  108   HH21  ARG  14          HH21      ARG  14  51.554  13.008  -7.302
  109   HH22  ARG  14          HH22      ARG  14  52.682  12.343  -8.436
  110    H    HIS  15           HN       HIS  15  49.810   9.415  -2.037
  111    HA   HIS  15           HA       HIS  15  51.446   9.011   0.291
  112    HB2  HIS  15           HB2      HIS  15  49.881  10.815   1.061
  113    HB3  HIS  15           HB1      HIS  15  48.540   9.710   0.767
  114    HD1  HIS  15           HD1      HIS  15  47.834   8.596   2.874
  115    HD2  HIS  15           HD2      HIS  15  51.959   9.181   2.774
  116    HE1  HIS  15           HE1      HIS  15  48.745   7.647   5.038
  117    H    VAL  16           HN       VAL  16  48.004   8.276  -0.228
  118    HA   VAL  16           HA       VAL  16  48.340   5.513   0.323
  119    HB   VAL  16           HB       VAL  16  46.051   6.759  -1.225
  120   HG11  VAL  16          HG11      VAL  16  44.782   4.892  -0.210
  121   HG12  VAL  16          HG12      VAL  16  46.257   4.320   0.570
  122   HG13  VAL  16          HG13      VAL  16  46.123   4.295  -1.189
  123   HG21  VAL  16          HG21      VAL  16  44.977   6.995   1.027
  124   HG22  VAL  16          HG22      VAL  16  46.385   8.039   0.828
  125   HG23  VAL  16          HG23      VAL  16  46.515   6.553   1.769
  126    H    GLY  17           HN       GLY  17  48.036   7.357  -2.692
  127    HA2  GLY  17           HA1      GLY  17  48.132   5.056  -4.390
  128    HA3  GLY  17           HA2      GLY  17  48.307   6.734  -4.890
  129    H    ARG  18           HN       ARG  18  50.502   7.537  -3.456
  130    HA   ARG  18           HA       ARG  18  52.643   6.591  -5.013
  131    HB2  ARG  18           HB2      ARG  18  52.627   8.796  -3.903
  132    HB3  ARG  18           HB1      ARG  18  52.743   8.001  -2.333
  133    HG2  ARG  18           HG2      ARG  18  54.916   7.124  -2.835
  134    HG3  ARG  18           HG1      ARG  18  54.777   7.571  -4.535
  135    HD2  ARG  18           HD2      ARG  18  54.722   9.608  -2.295
  136    HD3  ARG  18           HD1      ARG  18  56.207   9.126  -3.116
  137    HE   ARG  18           HE       ARG  18  54.157  10.872  -4.203
  138   HH11  ARG  18          HH11      ARG  18  56.896  11.353  -4.982
  139   HH12  ARG  18          HH12      ARG  18  57.015  10.660  -6.564
  140   HH21  ARG  18          HH21      ARG  18  54.148   8.739  -6.227
  141   HH22  ARG  18          HH22      ARG  18  55.459   9.179  -7.270
  142    H    ALA  19           HN       ALA  19  51.126   5.256  -2.270
  143    HA   ALA  19           HA       ALA  19  52.926   3.000  -2.250
  144    HB1  ALA  19           HB1      ALA  19  53.560   3.200   0.110
  145    HB2  ALA  19           HB2      ALA  19  52.751   4.766   0.198
  146    HB3  ALA  19           HB3      ALA  19  54.170   4.562  -0.828
  147    H    ALA  20           HN       ALA  20  51.023   1.873  -2.747
  148    HA   ALA  20           HA       ALA  20  48.633   2.033  -1.227
  149    HB1  ALA  20           HB1      ALA  20  49.609  -0.345  -2.809
  150    HB2  ALA  20           HB2      ALA  20  48.874   1.080  -3.546
  151    HB3  ALA  20           HB3      ALA  20  47.941   0.085  -2.428
  152    H    LEU  21           HN       LEU  21  48.326  -0.888  -0.890
  153    HA   LEU  21           HA       LEU  21  49.161  -1.055   1.841
  154    HB2  LEU  21           HB2      LEU  21  48.189  -3.371   0.165
  155    HB3  LEU  21           HB1      LEU  21  48.002  -3.121   1.900
  156    HG   LEU  21           HG       LEU  21  46.690  -1.497  -0.302
  157   HD11  LEU  21          HD11      LEU  21  45.462  -3.276   1.824
  158   HD12  LEU  21          HD12      LEU  21  45.770  -3.795   0.166
  159   HD13  LEU  21          HD13      LEU  21  44.627  -2.490   0.483
  160   HD21  LEU  21          HD21      LEU  21  46.749  -1.180   2.712
  161   HD22  LEU  21          HD22      LEU  21  45.448  -0.504   1.731
  162   HD23  LEU  21          HD23      LEU  21  47.107   0.032   1.481
  163    H    THR  22           HN       THR  22  51.492  -0.660   1.288
  164    HA   THR  22           HA       THR  22  53.655  -1.411   1.198
  165    HB   THR  22           HB       THR  22  52.527  -4.191   1.632
  166    HG1  THR  22           HG1      THR  22  51.845  -2.391   3.112
  167   HG21  THR  22          HG21      THR  22  54.685  -4.552   2.752
  168   HG22  THR  22          HG22      THR  22  55.147  -2.883   2.419
  169   HG23  THR  22          HG23      THR  22  54.935  -4.020   1.090
  170    H    HIS  23           HN       HIS  23  54.901  -1.632  -0.537
  171    HA   HIS  23           HA       HIS  23  54.582  -3.759  -2.439
  172    HB2  HIS  23           HB2      HIS  23  52.778  -2.281  -3.218
  173    HB3  HIS  23           HB1      HIS  23  53.917  -0.940  -3.330
  174    HD1  HIS  23           HD1      HIS  23  53.105  -1.090  -5.962
  175    HD2  HIS  23           HD2      HIS  23  55.558  -4.161  -4.573
  176    HE1  HIS  23           HE1      HIS  23  54.073  -2.219  -8.013
  177    H    TYR  24           HN       TYR  24  56.777  -3.701  -1.309
  178    HA   TYR  24           HA       TYR  24  59.049  -3.400  -1.436
  179    HB2  TYR  24           HB2      TYR  24  58.546  -4.107  -3.808
  180    HB3  TYR  24           HB1      TYR  24  58.509  -2.398  -4.239
  181    HD1  TYR  24           HD1      TYR  24  60.639  -5.199  -3.101
  182    HD2  TYR  24           HD2      TYR  24  60.545  -1.038  -4.242
  183    HE1  TYR  24           HE1      TYR  24  63.125  -5.191  -3.275
  184    HE2  TYR  24           HE2      TYR  24  63.031  -1.029  -4.414
  185    HH   TYR  24           HH       TYR  24  65.064  -2.980  -3.291
  186    H    LEU  25           HN       LEU  25  59.858  -1.835  -0.199
  187    HA   LEU  25           HA       LEU  25  59.051   0.813  -0.094
  188    HB2  LEU  25           HB2      LEU  25  60.370  -0.165   1.685
  189    HB3  LEU  25           HB1      LEU  25  61.727  -0.427   0.594
  190    HG   LEU  25           HG       LEU  25  62.083   1.969   0.367
  191   HD11  LEU  25          HD11      LEU  25  59.918   2.938   0.384
  192   HD12  LEU  25          HD12      LEU  25  60.630   3.491   1.896
  193   HD13  LEU  25          HD13      LEU  25  59.482   2.152   1.901
  194   HD21  LEU  25          HD21      LEU  25  62.731   2.490   2.652
  195   HD22  LEU  25          HD22      LEU  25  63.007   0.772   2.364
  196   HD23  LEU  25          HD23      LEU  25  61.597   1.297   3.284
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1  42.567  19.830   5.486
    2    H2   GLY   1           HT2      GLY   1  40.912  20.208   5.429
    3    H3   GLY   1           HT3      GLY   1  41.436  18.619   5.132
    4    HA2  GLY   1           HA1      GLY   1  40.475  18.877   7.312
    5    HA3  GLY   1           HA2      GLY   1  42.156  18.362   7.344
    6    H    TRP   2           HN       TRP   2  43.794  20.015   7.732
    7    HA   TRP   2           HA       TRP   2  43.106  22.628   8.626
    8    HB2  TRP   2           HB2      TRP   2  43.545  22.332  11.025
    9    HB3  TRP   2           HB1      TRP   2  42.149  21.380  10.519
   10    HD1  TRP   2           HD1      TRP   2  45.873  20.991  11.379
   11    HE1  TRP   2           HE1      TRP   2  46.307  18.544  12.064
   12    HE3  TRP   2           HE3      TRP   2  41.274  18.978  10.380
   13    HZ2  TRP   2           HZ2      TRP   2  44.892  16.044  12.176
   14    HZ3  TRP   2           HZ3      TRP   2  40.839  16.559  10.784
   15    HH2  TRP   2           HH2      TRP   2  42.642  15.093  11.681
   16    H    GLY   3           HN       GLY   3  45.240  20.204   7.788
   17    HA2  GLY   3           HA1      GLY   3  47.436  21.909   7.447
   18    HA3  GLY   3           HA2      GLY   3  47.661  21.032   8.954
   19    H    SER   4           HN       SER   4  45.827  19.199   6.855
   20    HA   SER   4           HA       SER   4  47.917  18.073   5.237
   21    HB2  SER   4           HB2      SER   4  46.924  16.471   7.607
   22    HB3  SER   4           HB1      SER   4  47.940  15.851   6.308
   23    HG   SER   4           HG       SER   4  48.600  17.334   8.488
   24    H    PHE   5           HN       PHE   5  47.071  15.883   4.294
   25    HA   PHE   5           HA       PHE   5  45.505  14.939   2.895
   26    HB2  PHE   5           HB2      PHE   5  43.785  15.598   5.296
   27    HB3  PHE   5           HB1      PHE   5  43.251  14.597   3.947
   28    HD1  PHE   5           HD1      PHE   5  44.394  12.431   3.443
   29    HD2  PHE   5           HD2      PHE   5  45.339  14.756   6.954
   30    HE1  PHE   5           HE1      PHE   5  45.520  10.450   4.453
   31    HE2  PHE   5           HE2      PHE   5  46.465  12.775   7.964
   32    HZ   PHE   5           HZ       PHE   5  46.600  10.638   6.689
   33    H    PHE   6           HN       PHE   6  45.889  17.982   2.990
   34    HA   PHE   6           HA       PHE   6  43.905  18.595   1.000
   35    HB2  PHE   6           HB2      PHE   6  42.624  18.907   3.131
   36    HB3  PHE   6           HB1      PHE   6  43.784  20.153   3.591
   37    HD1  PHE   6           HD1      PHE   6  43.848  22.318   2.454
   38    HD2  PHE   6           HD2      PHE   6  41.086  19.236   1.227
   39    HE1  PHE   6           HE1      PHE   6  42.594  23.984   1.089
   40    HE2  PHE   6           HE2      PHE   6  39.834  20.902  -0.138
   41    HZ   PHE   6           HZ       PHE   6  40.612  23.266  -0.238
   42    H    ARG   7           HN       ARG   7  46.752  19.192   2.756
   43    HA   ARG   7           HA       ARG   7  47.337  21.839   1.894
   44    HB2  ARG   7           HB2      ARG   7  48.489  20.683   3.781
   45    HB3  ARG   7           HB1      ARG   7  49.285  19.632   2.607
   46    HG2  ARG   7           HG2      ARG   7  50.362  21.542   1.553
   47    HG3  ARG   7           HG1      ARG   7  49.477  22.658   2.594
   48    HD2  ARG   7           HD2      ARG   7  51.389  20.538   3.615
   49    HD3  ARG   7           HD1      ARG   7  51.824  22.230   3.370
   50    HE   ARG   7           HE       ARG   7  49.538  22.258   5.000
   51   HH11  ARG   7          HH11      ARG   7  50.381  23.276   6.981
   52   HH12  ARG   7          HH12      ARG   7  51.564  22.365   7.857
   53   HH21  ARG   7          HH21      ARG   7  52.089  20.082   5.300
   54   HH22  ARG   7          HH22      ARG   7  52.532  20.558   6.906
   55    H    ARG   8           HN       ARG   8  47.686  18.681   0.441
   56    HA   ARG   8           HA       ARG   8  48.146  19.822  -2.153
   57    HB2  ARG   8           HB2      ARG   8  50.437  19.909  -1.101
   58    HB3  ARG   8           HB1      ARG   8  50.387  18.150  -0.996
   59    HG2  ARG   8           HG2      ARG   8  50.185  17.952  -3.404
   60    HG3  ARG   8           HG1      ARG   8  50.028  19.700  -3.578
   61    HD2  ARG   8           HD2      ARG   8  52.298  20.018  -2.714
   62    HD3  ARG   8           HD1      ARG   8  52.465  18.281  -2.463
   63    HE   ARG   8           HE       ARG   8  53.090  18.176  -4.721
   64   HH11  ARG   8          HH11      ARG   8  51.626  18.204  -6.717
   65   HH12  ARG   8          HH12      ARG   8  51.235  19.801  -7.262
   66   HH21  ARG   8          HH21      ARG   8  52.252  21.340  -4.325
   67   HH22  ARG   8          HH22      ARG   8  51.589  21.576  -5.909
   68    H    ALA   9           HN       ALA   9  47.694  17.169   0.004
   69    HA   ALA   9           HA       ALA   9  46.941  15.016  -0.286
   70    HB1  ALA   9           HB1      ALA   9  45.662  16.261  -2.723
   71    HB2  ALA   9           HB2      ALA   9  44.996  16.292  -1.091
   72    HB3  ALA   9           HB3      ALA   9  45.171  14.758  -1.944
   73    H    ALA  10           HN       ALA  10  49.536  15.356  -1.203
   74    HA   ALA  10           HA       ALA  10  49.808  13.116  -2.938
   75    HB1  ALA  10           HB1      ALA  10  50.648  15.746  -4.152
   76    HB2  ALA  10           HB2      ALA  10  49.135  14.934  -4.554
   77    HB3  ALA  10           HB3      ALA  10  50.676  14.151  -4.902
   78    H    HIS  11           HN       HIS  11  50.774  14.304  -0.387
   79    HA   HIS  11           HA       HIS  11  53.543  13.542  -0.658
   80    HB2  HIS  11           HB2      HIS  11  53.581  15.926  -1.404
   81    HB3  HIS  11           HB1      HIS  11  52.930  16.390   0.169
   82    HD1  HIS  11           HD1      HIS  11  54.503  14.848   2.147
   83    HD2  HIS  11           HD2      HIS  11  56.281  16.479  -1.249
   84    HE1  HIS  11           HE1      HIS  11  56.981  15.011   2.645
   85    H    VAL  12           HN       VAL  12  51.249  15.317   1.417
   86    HA   VAL  12           HA       VAL  12  52.432  14.312   3.850
   87    HB   VAL  12           HB       VAL  12  50.404  15.358   4.931
   88   HG11  VAL  12          HG11      VAL  12  51.973  17.067   2.976
   89   HG12  VAL  12          HG12      VAL  12  52.478  16.635   4.608
   90   HG13  VAL  12          HG13      VAL  12  51.077  17.678   4.366
   91   HG21  VAL  12          HG21      VAL  12  48.909  16.690   3.532
   92   HG22  VAL  12          HG22      VAL  12  48.897  15.023   2.956
   93   HG23  VAL  12          HG23      VAL  12  49.820  16.249   2.087
   94    H    GLY  13           HN       GLY  13  51.898  12.122   2.312
   95    HA2  GLY  13           HA1      GLY  13  50.331  10.524   4.024
   96    HA3  GLY  13           HA2      GLY  13  49.387  10.928   2.597
   97    H    ARG  14           HN       ARG  14  52.295  11.015   1.326
   98    HA   ARG  14           HA       ARG  14  53.444   9.604  -0.083
   99    HB2  ARG  14           HB2      ARG  14  53.006   7.659   2.196
  100    HB3  ARG  14           HB1      ARG  14  54.222   7.512   0.926
  101    HG2  ARG  14           HG2      ARG  14  55.095   9.791   1.675
  102    HG3  ARG  14           HG1      ARG  14  54.046   9.630   3.083
  103    HD2  ARG  14           HD2      ARG  14  56.332   7.810   2.278
  104    HD3  ARG  14           HD1      ARG  14  56.225   8.823   3.716
  105    HE   ARG  14           HE       ARG  14  54.715   7.241   4.697
  106   HH11  ARG  14          HH11      ARG  14  52.799   5.972   3.568
  107   HH12  ARG  14          HH12      ARG  14  53.381   4.590   2.703
  108   HH21  ARG  14          HH21      ARG  14  56.675   5.673   2.663
  109   HH22  ARG  14          HH22      ARG  14  55.576   4.420   2.191
  110    H    HIS  15           HN       HIS  15  50.348   9.524   0.081
  111    HA   HIS  15           HA       HIS  15  49.361   7.004  -0.529
  112    HB2  HIS  15           HB2      HIS  15  48.553   9.725  -1.581
  113    HB3  HIS  15           HB1      HIS  15  47.635   8.254  -1.901
  114    HD1  HIS  15           HD1      HIS  15  48.793   7.512   1.269
  115    HD2  HIS  15           HD2      HIS  15  45.943  10.230  -0.086
  116    HE1  HIS  15           HE1      HIS  15  47.339   8.080   3.263
  117    H    VAL  16           HN       VAL  16  49.155   9.092  -3.277
  118    HA   VAL  16           HA       VAL  16  50.085   7.024  -5.038
  119    HB   VAL  16           HB       VAL  16  49.764   8.736  -6.826
  120   HG11  VAL  16          HG11      VAL  16  47.501   8.561  -4.813
  121   HG12  VAL  16          HG12      VAL  16  47.873   7.348  -6.038
  122   HG13  VAL  16          HG13      VAL  16  47.330   8.954  -6.523
  123   HG21  VAL  16          HG21      VAL  16  50.424  10.730  -5.579
  124   HG22  VAL  16          HG22      VAL  16  49.089  10.500  -4.450
  125   HG23  VAL  16          HG23      VAL  16  48.760  10.922  -6.130
  126    H    GLY  17           HN       GLY  17  51.658   9.306  -3.158
  127    HA2  GLY  17           HA1      GLY  17  53.723  10.247  -4.785
  128    HA3  GLY  17           HA2      GLY  17  53.829  10.023  -3.043
  129    H    ARG  18           HN       ARG  18  53.821   7.454  -2.557
  130    HA   ARG  18           HA       ARG  18  55.373   5.892  -4.419
  131    HB2  ARG  18           HB2      ARG  18  57.073   7.476  -3.434
  132    HB3  ARG  18           HB1      ARG  18  56.745   6.746  -1.861
  133    HG2  ARG  18           HG2      ARG  18  57.411   4.548  -2.708
  134    HG3  ARG  18           HG1      ARG  18  57.663   5.223  -4.318
  135    HD2  ARG  18           HD2      ARG  18  59.169   6.044  -1.818
  136    HD3  ARG  18           HD1      ARG  18  59.802   5.012  -3.100
  137    HE   ARG  18           HE       ARG  18  59.809   7.848  -3.175
  138   HH11  ARG  18          HH11      ARG  18  60.528   5.283  -5.078
  139   HH12  ARG  18          HH12      ARG  18  60.080   6.003  -6.589
  140   HH21  ARG  18          HH21      ARG  18  58.515   8.730  -5.128
  141   HH22  ARG  18          HH22      ARG  18  58.938   7.953  -6.616
  142    H    ALA  19           HN       ALA  19  53.752   6.364  -1.407
  143    HA   ALA  19           HA       ALA  19  52.855   4.911   0.130
  144    HB1  ALA  19           HB1      ALA  19  51.640   4.149  -1.855
  145    HB2  ALA  19           HB2      ALA  19  51.996   2.799  -0.778
  146    HB3  ALA  19           HB3      ALA  19  52.953   3.038  -2.239
  147    H    ALA  20           HN       ALA  20  53.128   2.406   0.869
  148    HA   ALA  20           HA       ALA  20  55.717   2.250   1.980
  149    HB1  ALA  20           HB1      ALA  20  53.656   0.063   1.676
  150    HB2  ALA  20           HB2      ALA  20  53.731   1.220   3.004
  151    HB3  ALA  20           HB3      ALA  20  55.029   0.048   2.781
  152    H    LEU  21           HN       LEU  21  57.135   2.435   0.160
  153    HA   LEU  21           HA       LEU  21  58.471   1.642  -1.538
  154    HB2  LEU  21           HB2      LEU  21  57.933  -1.100  -0.389
  155    HB3  LEU  21           HB1      LEU  21  59.400  -0.509  -1.167
  156    HG   LEU  21           HG       LEU  21  58.303   0.428   1.504
  157   HD11  LEU  21          HD11      LEU  21  59.303  -1.826   1.564
  158   HD12  LEU  21          HD12      LEU  21  60.322  -0.663   2.411
  159   HD13  LEU  21          HD13      LEU  21  60.761  -1.201   0.791
  160   HD21  LEU  21          HD21      LEU  21  59.416   2.298   0.514
  161   HD22  LEU  21          HD22      LEU  21  60.690   1.280  -0.161
  162   HD23  LEU  21          HD23      LEU  21  60.615   1.566   1.578
  163    H    THR  22           HN       THR  22  56.373   2.226  -2.808
  164    HA   THR  22           HA       THR  22  54.927   1.748  -4.532
  165    HB   THR  22           HB       THR  22  55.738   0.269  -6.224
  166    HG1  THR  22           HG1      THR  22  56.909  -1.467  -5.787
  167   HG21  THR  22          HG21      THR  22  58.197   1.210  -4.730
  168   HG22  THR  22          HG22      THR  22  57.162   2.278  -5.677
  169   HG23  THR  22          HG23      THR  22  58.032   0.966  -6.469
  170    H    HIS  23           HN       HIS  23  54.195  -0.720  -5.674
  171    HA   HIS  23           HA       HIS  23  52.619  -2.368  -5.415
  172    HB2  HIS  23           HB2      HIS  23  54.576  -3.333  -4.108
  173    HB3  HIS  23           HB1      HIS  23  53.787  -2.739  -2.648
  174    HD1  HIS  23           HD1      HIS  23  54.083  -5.750  -4.401
  175    HD2  HIS  23           HD2      HIS  23  50.791  -3.706  -2.863
  176    HE1  HIS  23           HE1      HIS  23  52.221  -7.453  -4.180
  177    H    TYR  24           HN       TYR  24  50.614  -1.547  -5.338
  178    HA   TYR  24           HA       TYR  24  49.640   0.224  -3.368
  179    HB2  TYR  24           HB2      TYR  24  48.089  -1.605  -5.218
  180    HB3  TYR  24           HB1      TYR  24  47.431  -0.220  -4.344
  181    HD1  TYR  24           HD1      TYR  24  49.496  -1.312  -7.182
  182    HD2  TYR  24           HD2      TYR  24  48.135   2.095  -4.909
  183    HE1  TYR  24           HE1      TYR  24  50.238   0.206  -9.013
  184    HE2  TYR  24           HE2      TYR  24  48.879   3.614  -6.740
  185    HH   TYR  24           HH       TYR  24  49.163   3.367  -9.265
  186    H    LEU  25           HN       LEU  25  48.113  -2.919  -3.941
  187    HA   LEU  25           HA       LEU  25  47.011  -3.219  -1.418
  188    HB2  LEU  25           HB2      LEU  25  48.026  -5.546  -3.057
  189    HB3  LEU  25           HB1      LEU  25  46.647  -5.509  -1.962
  190    HG   LEU  25           HG       LEU  25  46.896  -4.069  -4.619
  191   HD11  LEU  25          HD11      LEU  25  45.106  -5.529  -5.323
  192   HD12  LEU  25          HD12      LEU  25  44.918  -6.165  -3.688
  193   HD13  LEU  25          HD13      LEU  25  46.372  -6.534  -4.615
  194   HD21  LEU  25          HD21      LEU  25  44.831  -3.877  -2.408
  195   HD22  LEU  25          HD22      LEU  25  44.432  -3.483  -4.080
  196   HD23  LEU  25          HD23      LEU  25  45.673  -2.564  -3.234
  Start of MODEL   21
    1    H1   GLY   1           HT1      GLY   1  53.482  27.301   7.982
    2    H2   GLY   1           HT2      GLY   1  53.199  25.672   8.371
    3    H3   GLY   1           HT3      GLY   1  52.736  26.900   9.450
    4    HA2  GLY   1           HA1      GLY   1  51.630  27.224   6.861
    5    HA3  GLY   1           HA2      GLY   1  51.169  25.710   7.627
    6    H    TRP   2           HN       TRP   2  49.045  26.972   7.389
    7    HA   TRP   2           HA       TRP   2  48.348  27.989  10.017
    8    HB2  TRP   2           HB2      TRP   2  48.044  29.756   7.573
    9    HB3  TRP   2           HB1      TRP   2  47.407  30.104   9.180
   10    HD1  TRP   2           HD1      TRP   2  50.513  30.314   7.106
   11    HE1  TRP   2           HE1      TRP   2  52.441  31.302   8.503
   12    HE3  TRP   2           HE3      TRP   2  48.384  30.164  11.759
   13    HZ2  TRP   2           HZ2      TRP   2  53.017  31.949  11.243
   14    HZ3  TRP   2           HZ3      TRP   2  49.642  30.971  13.750
   15    HH2  TRP   2           HH2      TRP   2  51.954  31.863  13.497
   16    H    GLY   3           HN       GLY   3  47.714  26.024   7.601
   17    HA2  GLY   3           HA1      GLY   3  45.076  25.458   8.330
   18    HA3  GLY   3           HA2      GLY   3  45.024  26.467   6.892
   19    H    SER   4           HN       SER   4  47.321  25.520   5.589
   20    HA   SER   4           HA       SER   4  47.944  23.895   4.091
   21    HB2  SER   4           HB2      SER   4  46.909  21.923   6.131
   22    HB3  SER   4           HB1      SER   4  48.157  21.662   4.916
   23    HG   SER   4           HG       SER   4  48.555  22.402   7.343
   24    H    PHE   5           HN       PHE   5  47.034  21.729   3.032
   25    HA   PHE   5           HA       PHE   5  44.552  22.458   1.825
   26    HB2  PHE   5           HB2      PHE   5  46.182  19.912   1.670
   27    HB3  PHE   5           HB1      PHE   5  44.773  20.256   0.666
   28    HD1  PHE   5           HD1      PHE   5  48.255  21.267   1.459
   29    HD2  PHE   5           HD2      PHE   5  44.867  21.879  -1.145
   30    HE1  PHE   5           HE1      PHE   5  49.692  22.571  -0.104
   31    HE2  PHE   5           HE2      PHE   5  46.304  23.181  -2.709
   32    HZ   PHE   5           HZ       PHE   5  48.735  23.456  -2.227
   33    H    PHE   6           HN       PHE   6  44.854  19.115   2.648
   34    HA   PHE   6           HA       PHE   6  43.020  19.204   4.897
   35    HB2  PHE   6           HB2      PHE   6  42.134  17.978   2.270
   36    HB3  PHE   6           HB1      PHE   6  41.254  17.907   3.796
   37    HD1  PHE   6           HD1      PHE   6  40.235  19.941   4.779
   38    HD2  PHE   6           HD2      PHE   6  42.217  20.025   0.945
   39    HE1  PHE   6           HE1      PHE   6  39.189  22.147   4.287
   40    HE2  PHE   6           HE2      PHE   6  41.171  22.233   0.454
   41    HZ   PHE   6           HZ       PHE   6  39.703  23.319   2.148
   42    H    ARG   7           HN       ARG   7  45.705  18.124   3.961
   43    HA   ARG   7           HA       ARG   7  46.979  16.232   4.235
   44    HB2  ARG   7           HB2      ARG   7  44.745  15.516   6.150
   45    HB3  ARG   7           HB1      ARG   7  46.349  14.784   6.116
   46    HG2  ARG   7           HG2      ARG   7  47.390  16.913   6.655
   47    HG3  ARG   7           HG1      ARG   7  45.837  17.742   6.539
   48    HD2  ARG   7           HD2      ARG   7  46.462  15.533   8.521
   49    HD3  ARG   7           HD1      ARG   7  46.490  17.255   8.899
   50    HE   ARG   7           HE       ARG   7  43.956  16.645   7.757
   51   HH11  ARG   7          HH11      ARG   7  44.304  18.101  10.342
   52   HH12  ARG   7          HH12      ARG   7  43.648  16.980  11.488
   53   HH21  ARG   7          HH21      ARG   7  43.783  14.277   9.321
   54   HH22  ARG   7          HH22      ARG   7  43.354  14.814  10.910
   55    H    ARG   8           HN       ARG   8  45.360  16.170   1.983
   56    HA   ARG   8           HA       ARG   8  45.298  13.378   1.425
   57    HB2  ARG   8           HB2      ARG   8  43.177  13.634   2.746
   58    HB3  ARG   8           HB1      ARG   8  42.597  14.741   1.502
   59    HG2  ARG   8           HG2      ARG   8  42.661  13.023  -0.178
   60    HG3  ARG   8           HG1      ARG   8  43.526  11.922   0.894
   61    HD2  ARG   8           HD2      ARG   8  40.720  12.965   1.375
   62    HD3  ARG   8           HD1      ARG   8  41.114  11.362   0.755
   63    HE   ARG   8           HE       ARG   8  42.475  11.872   3.253
   64   HH11  ARG   8          HH11      ARG   8  41.162  11.626   5.197
   65   HH12  ARG   8          HH12      ARG   8  39.830  10.525   5.099
   66   HH21  ARG   8          HH21      ARG   8  40.015  10.197   1.652
   67   HH22  ARG   8          HH22      ARG   8  39.179   9.716   3.091
   68    H    ALA   9           HN       ALA   9  46.753  14.688  -0.045
   69    HA   ALA   9           HA       ALA   9  45.550  14.877  -2.619
   70    HB1  ALA   9           HB1      ALA   9  46.289  17.451  -1.226
   71    HB2  ALA   9           HB2      ALA   9  44.711  16.996  -1.870
   72    HB3  ALA   9           HB3      ALA   9  46.056  17.310  -2.968
   73    H    ALA  10           HN       ALA  10  48.232  15.515  -0.464
   74    HA   ALA  10           HA       ALA  10  50.112  14.332  -2.258
   75    HB1  ALA  10           HB1      ALA  10  50.271  17.322  -1.848
   76    HB2  ALA  10           HB2      ALA  10  49.941  16.495  -3.369
   77    HB3  ALA  10           HB3      ALA  10  51.519  16.329  -2.600
   78    H    HIS  11           HN       HIS  11  49.586  13.523   0.195
   79    HA   HIS  11           HA       HIS  11  52.069  13.974   1.618
   80    HB2  HIS  11           HB2      HIS  11  49.418  14.803   2.823
   81    HB3  HIS  11           HB1      HIS  11  50.896  14.569   3.756
   82    HD1  HIS  11           HD1      HIS  11  52.984  16.124   2.988
   83    HD2  HIS  11           HD2      HIS  11  49.243  17.279   1.562
   84    HE1  HIS  11           HE1      HIS  11  53.218  18.529   2.226
   85    H    VAL  12           HN       VAL  12  49.026  12.999   3.084
   86    HA   VAL  12           HA       VAL  12  50.115  10.459   3.867
   87    HB   VAL  12           HB       VAL  12  47.206  11.304   3.996
   88   HG11  VAL  12          HG11      VAL  12  47.728   8.918   4.451
   89   HG12  VAL  12          HG12      VAL  12  47.154   9.749   5.896
   90   HG13  VAL  12          HG13      VAL  12  48.875   9.420   5.693
   91   HG21  VAL  12          HG21      VAL  12  49.476  11.844   5.939
   92   HG22  VAL  12          HG22      VAL  12  47.770  12.128   6.283
   93   HG23  VAL  12          HG23      VAL  12  48.582  13.055   5.021
   94    H    GLY  13           HN       GLY  13  48.139  11.625   1.246
   95    HA2  GLY  13           HA1      GLY  13  47.015   9.143   0.457
   96    HA3  GLY  13           HA2      GLY  13  47.159  10.580  -0.545
   97    H    ARG  14           HN       ARG  14  50.145   9.734   0.721
   98    HA   ARG  14           HA       ARG  14  51.002   8.613  -1.869
   99    HB2  ARG  14           HB2      ARG  14  52.646   9.599   0.478
  100    HB3  ARG  14           HB1      ARG  14  53.259   9.147  -1.113
  101    HG2  ARG  14           HG2      ARG  14  51.916  10.939  -2.147
  102    HG3  ARG  14           HG1      ARG  14  51.298  11.393  -0.559
  103    HD2  ARG  14           HD2      ARG  14  54.182  11.510  -1.483
  104    HD3  ARG  14           HD1      ARG  14  53.134  12.880  -1.112
  105    HE   ARG  14           HE       ARG  14  53.214  11.295   1.213
  106   HH11  ARG  14          HH11      ARG  14  55.609  10.694   1.826
  107   HH12  ARG  14          HH12      ARG  14  56.615  12.101   1.935
  108   HH21  ARG  14          HH21      ARG  14  54.405  14.139   0.207
  109   HH22  ARG  14          HH22      ARG  14  55.933  14.051   1.017
  110    H    HIS  15           HN       HIS  15  51.782   8.031   1.573
  111    HA   HIS  15           HA       HIS  15  52.857   5.459   1.168
  112    HB2  HIS  15           HB2      HIS  15  51.637   6.723   3.632
  113    HB3  HIS  15           HB1      HIS  15  52.517   5.193   3.633
  114    HD1  HIS  15           HD1      HIS  15  54.810   5.891   1.707
  115    HD2  HIS  15           HD2      HIS  15  53.503   8.486   4.691
  116    HE1  HIS  15           HE1      HIS  15  56.756   7.427   2.222
  117    H    VAL  16           HN       VAL  16  49.644   6.535   1.047
  118    HA   VAL  16           HA       VAL  16  48.662   3.778   0.856
  119    HB   VAL  16           HB       VAL  16  46.649   4.428   2.310
  120   HG11  VAL  16          HG11      VAL  16  47.803   3.841   4.389
  121   HG12  VAL  16          HG12      VAL  16  49.356   4.262   3.671
  122   HG13  VAL  16          HG13      VAL  16  48.446   2.883   3.057
  123   HG21  VAL  16          HG21      VAL  16  46.938   6.239   3.885
  124   HG22  VAL  16          HG22      VAL  16  47.246   6.890   2.274
  125   HG23  VAL  16          HG23      VAL  16  48.595   6.511   3.344
  126    H    GLY  17           HN       GLY  17  48.932   5.069  -1.342
  127    HA2  GLY  17           HA1      GLY  17  46.392   5.353  -2.446
  128    HA3  GLY  17           HA2      GLY  17  46.964   6.967  -2.055
  129    H    ARG  18           HN       ARG  18  49.769   5.631  -2.555
  130    HA   ARG  18           HA       ARG  18  49.800   5.239  -5.416
  131    HB2  ARG  18           HB2      ARG  18  49.609   7.741  -5.171
  132    HB3  ARG  18           HB1      ARG  18  51.162   7.715  -4.334
  133    HG2  ARG  18           HG2      ARG  18  52.225   6.687  -6.298
  134    HG3  ARG  18           HG1      ARG  18  50.674   6.670  -7.140
  135    HD2  ARG  18           HD2      ARG  18  50.567   9.117  -7.046
  136    HD3  ARG  18           HD1      ARG  18  52.079   9.165  -6.138
  137    HE   ARG  18           HE       ARG  18  51.858   8.901  -8.996
  138   HH11  ARG  18          HH11      ARG  18  53.290   7.065  -9.816
  139   HH12  ARG  18          HH12      ARG  18  54.875   7.055  -9.118
  140   HH21  ARG  18          HH21      ARG  18  54.040   9.212  -6.537
  141   HH22  ARG  18          HH22      ARG  18  55.299   8.270  -7.260
  142    H    ALA  19           HN       ALA  19  51.945   6.405  -2.801
  143    HA   ALA  19           HA       ALA  19  54.157   4.816  -3.736
  144    HB1  ALA  19           HB1      ALA  19  55.310   5.658  -1.766
  145    HB2  ALA  19           HB2      ALA  19  53.790   6.262  -1.109
  146    HB3  ALA  19           HB3      ALA  19  54.462   6.973  -2.576
  147    H    ALA  20           HN       ALA  20  51.650   3.404  -3.034
  148    HA   ALA  20           HA       ALA  20  51.807   2.055  -0.591
  149    HB1  ALA  20           HB1      ALA  20  50.756   1.100  -3.258
  150    HB2  ALA  20           HB2      ALA  20  49.837   1.918  -1.994
  151    HB3  ALA  20           HB3      ALA  20  50.466   0.295  -1.715
  152    H    LEU  21           HN       LEU  21  52.609  -0.020  -0.045
  153    HA   LEU  21           HA       LEU  21  55.230  -0.565  -0.983
  154    HB2  LEU  21           HB2      LEU  21  53.485  -2.534   0.505
  155    HB3  LEU  21           HB1      LEU  21  55.240  -2.379   0.552
  156    HG   LEU  21           HG       LEU  21  53.241  -0.359   1.618
  157   HD11  LEU  21          HD11      LEU  21  54.189  -0.992   3.809
  158   HD12  LEU  21          HD12      LEU  21  55.214  -2.188   3.018
  159   HD13  LEU  21          HD13      LEU  21  53.462  -2.383   3.005
  160   HD21  LEU  21          HD21      LEU  21  55.413   0.651   2.579
  161   HD22  LEU  21          HD22      LEU  21  55.123   0.894   0.860
  162   HD23  LEU  21          HD23      LEU  21  56.264  -0.341   1.394
  163    H    THR  22           HN       THR  22  52.169  -1.367  -2.214
  164    HA   THR  22           HA       THR  22  52.920  -3.843  -3.511
  165    HB   THR  22           HB       THR  22  50.734  -3.640  -4.651
  166    HG1  THR  22           HG1      THR  22  51.101  -1.089  -4.103
  167   HG21  THR  22          HG21      THR  22  50.752  -4.654  -2.450
  168   HG22  THR  22          HG22      THR  22  49.323  -3.629  -2.576
  169   HG23  THR  22          HG23      THR  22  50.733  -3.070  -1.676
  170    H    HIS  23           HN       HIS  23  54.869  -2.130  -4.202
  171    HA   HIS  23           HA       HIS  23  54.731  -2.108  -7.045
  172    HB2  HIS  23           HB2      HIS  23  53.338  -0.092  -6.535
  173    HB3  HIS  23           HB1      HIS  23  54.740   0.623  -5.741
  174    HD1  HIS  23           HD1      HIS  23  55.397   2.421  -7.387
  175    HD2  HIS  23           HD2      HIS  23  54.748  -1.244  -9.258
  176    HE1  HIS  23           HE1      HIS  23  56.166   2.694  -9.785
  177    H    TYR  24           HN       TYR  24  56.432  -2.935  -4.767
  178    HA   TYR  24           HA       TYR  24  58.801  -1.316  -4.796
  179    HB2  TYR  24           HB2      TYR  24  58.155  -2.823  -2.908
  180    HB3  TYR  24           HB1      TYR  24  58.506  -4.205  -3.946
  181    HD1  TYR  24           HD1      TYR  24  59.942  -1.398  -2.037
  182    HD2  TYR  24           HD2      TYR  24  60.811  -4.701  -4.676
  183    HE1  TYR  24           HE1      TYR  24  62.361  -1.215  -1.468
  184    HE2  TYR  24           HE2      TYR  24  63.230  -4.519  -4.107
  185    HH   TYR  24           HH       TYR  24  64.493  -3.116  -1.645
  186    H    LEU  25           HN       LEU  25  58.324  -4.681  -5.898
  187    HA   LEU  25           HA       LEU  25  59.390  -5.892  -7.541
  188    HB2  LEU  25           HB2      LEU  25  59.449  -3.301  -9.094
  189    HB3  LEU  25           HB1      LEU  25  59.310  -4.944  -9.718
  190    HG   LEU  25           HG       LEU  25  57.229  -3.500  -8.044
  191   HD11  LEU  25          HD11      LEU  25  57.379  -2.658 -10.347
  192   HD12  LEU  25          HD12      LEU  25  55.897  -3.588 -10.131
  193   HD13  LEU  25          HD13      LEU  25  57.273  -4.305 -10.969
  194   HD21  LEU  25          HD21      LEU  25  57.383  -6.304  -9.185
  195   HD22  LEU  25          HD22      LEU  25  55.841  -5.549  -8.780
  196   HD23  LEU  25          HD23      LEU  25  57.044  -5.822  -7.523
  Start of MODEL   22
    1    H1   GLY   1           HT1      GLY   1  46.337  28.126   9.230
    2    H2   GLY   1           HT2      GLY   1  46.766  27.694  10.816
    3    H3   GLY   1           HT3      GLY   1  46.820  29.321  10.331
    4    HA2  GLY   1           HA1      GLY   1  44.472  27.618  10.739
    5    HA3  GLY   1           HA2      GLY   1  44.917  29.079  11.609
    6    H    TRP   2           HN       TRP   2  44.673  28.211   8.158
    7    HA   TRP   2           HA       TRP   2  42.421  29.910   7.694
    8    HB2  TRP   2           HB2      TRP   2  44.123  31.661   7.989
    9    HB3  TRP   2           HB1      TRP   2  45.119  30.907   6.744
   10    HD1  TRP   2           HD1      TRP   2  44.709  31.661   4.346
   11    HE1  TRP   2           HE1      TRP   2  42.877  33.005   3.126
   12    HE3  TRP   2           HE3      TRP   2  41.317  32.163   8.148
   13    HZ2  TRP   2           HZ2      TRP   2  40.301  34.149   3.683
   14    HZ3  TRP   2           HZ3      TRP   2  39.178  33.385   7.780
   15    HH2  TRP   2           HH2      TRP   2  38.667  34.377   5.553
   16    H    GLY   3           HN       GLY   3  42.256  27.515   6.963
   17    HA2  GLY   3           HA1      GLY   3  42.159  25.961   5.271
   18    HA3  GLY   3           HA2      GLY   3  41.912  27.369   4.248
   19    H    SER   4           HN       SER   4  44.664  25.927   6.008
   20    HA   SER   4           HA       SER   4  46.104  25.384   3.576
   21    HB2  SER   4           HB2      SER   4  46.962  27.703   5.318
   22    HB3  SER   4           HB1      SER   4  48.008  26.928   4.131
   23    HG   SER   4           HG       SER   4  46.911  28.741   3.264
   24    H    PHE   5           HN       PHE   5  45.381  23.670   5.548
   25    HA   PHE   5           HA       PHE   5  47.305  23.364   7.621
   26    HB2  PHE   5           HB2      PHE   5  45.463  21.313   6.362
   27    HB3  PHE   5           HB1      PHE   5  46.336  21.112   7.882
   28    HD1  PHE   5           HD1      PHE   5  45.847  22.637   9.828
   29    HD2  PHE   5           HD2      PHE   5  43.432  22.610   6.252
   30    HE1  PHE   5           HE1      PHE   5  44.025  23.818  11.050
   31    HE2  PHE   5           HE2      PHE   5  41.609  23.790   7.473
   32    HZ   PHE   5           HZ       PHE   5  41.929  24.443   9.857
   33    H    PHE   6           HN       PHE   6  47.360  20.339   6.580
   34    HA   PHE   6           HA       PHE   6  49.236  20.362   4.435
   35    HB2  PHE   6           HB2      PHE   6  50.644  21.320   6.274
   36    HB3  PHE   6           HB1      PHE   6  50.409  19.822   7.172
   37    HD1  PHE   6           HD1      PHE   6  51.845  21.306   4.077
   38    HD2  PHE   6           HD2      PHE   6  51.569  17.786   6.559
   39    HE1  PHE   6           HE1      PHE   6  53.696  20.251   2.787
   40    HE2  PHE   6           HE2      PHE   6  53.421  16.732   5.269
   41    HZ   PHE   6           HZ       PHE   6  54.536  17.996   3.434
   42    H    ARG   7           HN       ARG   7  47.718  18.768   7.142
   43    HA   ARG   7           HA       ARG   7  48.490  16.099   6.390
   44    HB2  ARG   7           HB2      ARG   7  46.765  15.422   8.059
   45    HB3  ARG   7           HB1      ARG   7  47.943  16.563   8.706
   46    HG2  ARG   7           HG2      ARG   7  46.368  18.420   8.317
   47    HG3  ARG   7           HG1      ARG   7  45.187  17.287   7.662
   48    HD2  ARG   7           HD2      ARG   7  46.299  17.269  10.483
   49    HD3  ARG   7           HD1      ARG   7  44.673  17.762  10.011
   50    HE   ARG   7           HE       ARG   7  44.947  15.162   9.033
   51   HH11  ARG   7          HH11      ARG   7  44.815  13.273  10.317
   52   HH12  ARG   7          HH12      ARG   7  44.486  13.441  12.010
   53   HH21  ARG   7          HH21      ARG   7  44.690  16.902  11.976
   54   HH22  ARG   7          HH22      ARG   7  44.414  15.495  12.948
   55    H    ARG   8           HN       ARG   8  46.935  18.038   4.528
   56    HA   ARG   8           HA       ARG   8  45.454  16.016   3.175
   57    HB2  ARG   8           HB2      ARG   8  43.894  16.574   5.080
   58    HB3  ARG   8           HB1      ARG   8  43.773  18.204   4.416
   59    HG2  ARG   8           HG2      ARG   8  42.879  17.344   2.325
   60    HG3  ARG   8           HG1      ARG   8  43.131  15.681   2.859
   61    HD2  ARG   8           HD2      ARG   8  41.522  15.991   4.679
   62    HD3  ARG   8           HD1      ARG   8  41.304  17.681   4.223
   63    HE   ARG   8           HE       ARG   8  40.745  16.011   1.963
   64   HH11  ARG   8          HH11      ARG   8  38.556  16.221   1.315
   65   HH12  ARG   8          HH12      ARG   8  37.332  16.275   2.539
   66   HH21  ARG   8          HH21      ARG   8  39.589  16.386   5.169
   67   HH22  ARG   8          HH22      ARG   8  37.916  16.370   4.720
   68    H    ALA   9           HN       ALA   9  46.288  19.372   3.661
   69    HA   ALA   9           HA       ALA   9  45.314  20.372   1.182
   70    HB1  ALA   9           HB1      ALA   9  45.835  21.871   3.017
   71    HB2  ALA   9           HB2      ALA   9  46.846  22.268   1.628
   72    HB3  ALA   9           HB3      ALA   9  47.526  21.369   2.984
   73    H    ALA  10           HN       ALA  10  48.517  19.227   2.232
   74    HA   ALA  10           HA       ALA  10  49.810  19.656  -0.251
   75    HB1  ALA  10           HB1      ALA  10  51.134  19.394   1.726
   76    HB2  ALA  10           HB2      ALA  10  51.496  18.030   0.669
   77    HB3  ALA  10           HB3      ALA  10  50.430  17.812   2.058
   78    H    HIS  11           HN       HIS  11  50.302  16.428   0.628
   79    HA   HIS  11           HA       HIS  11  48.255  15.187  -0.936
   80    HB2  HIS  11           HB2      HIS  11  49.717  14.401  -2.779
   81    HB3  HIS  11           HB1      HIS  11  49.507  16.151  -2.795
   82    HD1  HIS  11           HD1      HIS  11  51.515  17.475  -1.391
   83    HD2  HIS  11           HD2      HIS  11  52.375  13.640  -2.776
   84    HE1  HIS  11           HE1      HIS  11  54.040  17.271  -1.415
   85    H    VAL  12           HN       VAL  12  49.582  14.923   1.653
   86    HA   VAL  12           HA       VAL  12  51.365  12.727   1.689
   87    HB   VAL  12           HB       VAL  12  50.653  12.489   4.091
   88   HG11  VAL  12          HG11      VAL  12  52.445  14.058   3.388
   89   HG12  VAL  12          HG12      VAL  12  51.550  14.667   4.780
   90   HG13  VAL  12          HG13      VAL  12  51.234  15.322   3.174
   91   HG21  VAL  12          HG21      VAL  12  48.307  13.146   3.842
   92   HG22  VAL  12          HG22      VAL  12  48.790  14.753   3.301
   93   HG23  VAL  12          HG23      VAL  12  49.108  14.250   4.960
   94    H    GLY  13           HN       GLY  13  50.750  10.625   2.855
   95    HA2  GLY  13           HA1      GLY  13  49.489   8.702   3.005
   96    HA3  GLY  13           HA2      GLY  13  48.080   9.635   2.518
   97    H    ARG  14           HN       ARG  14  49.274  10.623   0.068
   98    HA   ARG  14           HA       ARG  14  48.656   8.375  -1.636
   99    HB2  ARG  14           HB2      ARG  14  49.679  11.132  -2.360
  100    HB3  ARG  14           HB1      ARG  14  48.961   9.960  -3.465
  101    HG2  ARG  14           HG2      ARG  14  46.872  10.017  -2.075
  102    HG3  ARG  14           HG1      ARG  14  47.595  11.315  -1.124
  103    HD2  ARG  14           HD2      ARG  14  46.122  12.206  -2.905
  104    HD3  ARG  14           HD1      ARG  14  47.797  12.705  -3.138
  105    HE   ARG  14           HE       ARG  14  47.263  10.262  -4.574
  106   HH11  ARG  14          HH11      ARG  14  47.578  13.648  -4.702
  107   HH12  ARG  14          HH12      ARG  14  47.067  13.787  -6.352
  108   HH21  ARG  14          HH21      ARG  14  46.236  10.436  -6.657
  109   HH22  ARG  14          HH22      ARG  14  46.307  11.970  -7.458
  110    H    HIS  15           HN       HIS  15  50.986   8.016   0.041
  111    HA   HIS  15           HA       HIS  15  53.398   8.428  -1.376
  112    HB2  HIS  15           HB2      HIS  15  52.684   6.343   0.698
  113    HB3  HIS  15           HB1      HIS  15  54.321   6.698   0.144
  114    HD1  HIS  15           HD1      HIS  15  54.080   9.800   0.003
  115    HD2  HIS  15           HD2      HIS  15  52.740   7.523   3.224
  116    HE1  HIS  15           HE1      HIS  15  54.056  11.343   2.009
  117    H    VAL  16           HN       VAL  16  53.200   7.800  -3.518
  118    HA   VAL  16           HA       VAL  16  53.208   6.382  -5.325
  119    HB   VAL  16           HB       VAL  16  54.072   4.246  -3.354
  120   HG11  VAL  16          HG11      VAL  16  55.270   3.358  -5.303
  121   HG12  VAL  16          HG12      VAL  16  54.714   4.715  -6.283
  122   HG13  VAL  16          HG13      VAL  16  53.556   3.531  -5.680
  123   HG21  VAL  16          HG21      VAL  16  55.746   6.360  -4.752
  124   HG22  VAL  16          HG22      VAL  16  56.376   5.031  -3.778
  125   HG23  VAL  16          HG23      VAL  16  55.410   6.298  -3.021
  126    H    GLY  17           HN       GLY  17  50.770   6.657  -5.049
  127    HA2  GLY  17           HA1      GLY  17  48.643   5.785  -4.996
  128    HA3  GLY  17           HA2      GLY  17  49.408   4.398  -5.757
  129    H    ARG  18           HN       ARG  18  49.624   5.736  -2.465
  130    HA   ARG  18           HA       ARG  18  49.369   4.743  -0.410
  131    HB2  ARG  18           HB2      ARG  18  47.294   3.088  -1.867
  132    HB3  ARG  18           HB1      ARG  18  47.403   3.334  -0.124
  133    HG2  ARG  18           HG2      ARG  18  47.027   5.738  -0.411
  134    HG3  ARG  18           HG1      ARG  18  46.986   5.541  -2.163
  135    HD2  ARG  18           HD2      ARG  18  44.701   5.627  -1.348
  136    HD3  ARG  18           HD1      ARG  18  45.040   3.982  -1.883
  137    HE   ARG  18           HE       ARG  18  45.662   3.999   0.840
  138   HH11  ARG  18          HH11      ARG  18  43.039   5.598  -0.560
  139   HH12  ARG  18          HH12      ARG  18  41.829   4.767   0.359
  140   HH21  ARG  18          HH21      ARG  18  44.064   2.530   1.781
  141   HH22  ARG  18          HH22      ARG  18  42.409   3.030   1.683
  142    H    ALA  19           HN       ALA  19  51.595   3.857  -1.079
  143    HA   ALA  19           HA       ALA  19  53.114   2.135  -1.051
  144    HB1  ALA  19           HB1      ALA  19  52.634   0.312   0.415
  145    HB2  ALA  19           HB2      ALA  19  50.896   0.550   0.239
  146    HB3  ALA  19           HB3      ALA  19  51.866   1.744   1.102
  147    H    ALA  20           HN       ALA  20  53.449  -0.229  -1.722
  148    HA   ALA  20           HA       ALA  20  51.559  -1.420  -3.512
  149    HB1  ALA  20           HB1      ALA  20  53.947  -0.000  -4.698
  150    HB2  ALA  20           HB2      ALA  20  52.248   0.381  -4.978
  151    HB3  ALA  20           HB3      ALA  20  52.920  -1.139  -5.569
  152    H    LEU  21           HN       LEU  21  52.191  -3.047  -1.894
  153    HA   LEU  21           HA       LEU  21  54.857  -4.110  -1.880
  154    HB2  LEU  21           HB2      LEU  21  52.198  -5.031  -0.785
  155    HB3  LEU  21           HB1      LEU  21  53.608  -6.087  -0.720
  156    HG   LEU  21           HG       LEU  21  54.854  -4.398   0.539
  157   HD11  LEU  21          HD11      LEU  21  52.359  -2.744   0.088
  158   HD12  LEU  21          HD12      LEU  21  54.028  -2.329  -0.304
  159   HD13  LEU  21          HD13      LEU  21  53.505  -2.376   1.377
  160   HD21  LEU  21          HD21      LEU  21  53.445  -5.985   1.792
  161   HD22  LEU  21          HD22      LEU  21  52.076  -4.883   1.663
  162   HD23  LEU  21          HD23      LEU  21  53.492  -4.422   2.608
  163    H    THR  22           HN       THR  22  52.749  -4.044  -4.316
  164    HA   THR  22           HA       THR  22  52.749  -6.795  -5.175
  165    HB   THR  22           HB       THR  22  52.174  -4.289  -6.786
  166    HG1  THR  22           HG1      THR  22  50.056  -5.797  -6.110
  167   HG21  THR  22          HG21      THR  22  52.600  -6.138  -8.255
  168   HG22  THR  22          HG22      THR  22  50.849  -5.961  -8.159
  169   HG23  THR  22          HG23      THR  22  51.657  -7.235  -7.245
  170    H    HIS  23           HN       HIS  23  54.841  -4.040  -5.543
  171    HA   HIS  23           HA       HIS  23  56.285  -5.078  -7.823
  172    HB2  HIS  23           HB2      HIS  23  57.094  -2.883  -5.906
  173    HB3  HIS  23           HB1      HIS  23  57.734  -3.170  -7.524
  174    HD1  HIS  23           HD1      HIS  23  54.739  -3.859  -8.635
  175    HD2  HIS  23           HD2      HIS  23  56.041  -0.346  -6.811
  176    HE1  HIS  23           HE1      HIS  23  53.118  -2.045  -9.337
  177    H    TYR  24           HN       TYR  24  56.140  -6.964  -5.689
  178    HA   TYR  24           HA       TYR  24  58.494  -6.977  -4.102
  179    HB2  TYR  24           HB2      TYR  24  57.994  -9.445  -3.880
  180    HB3  TYR  24           HB1      TYR  24  56.664  -8.376  -3.438
  181    HD1  TYR  24           HD1      TYR  24  54.690  -8.129  -4.882
  182    HD2  TYR  24           HD2      TYR  24  57.917 -10.797  -5.924
  183    HE1  TYR  24           HE1      TYR  24  53.237  -9.219  -6.589
  184    HE2  TYR  24           HE2      TYR  24  56.465 -11.888  -7.631
  185    HH   TYR  24           HH       TYR  24  54.551 -11.325  -8.990
  186    H    LEU  25           HN       LEU  25  57.698  -8.478  -7.224
  187    HA   LEU  25           HA       LEU  25  60.090  -9.873  -7.607
  188    HB2  LEU  25           HB2      LEU  25  59.462 -10.089  -9.882
  189    HB3  LEU  25           HB1      LEU  25  57.948 -10.014  -8.990
  190    HG   LEU  25           HG       LEU  25  59.254  -7.777 -10.572
  191   HD11  LEU  25          HD11      LEU  25  57.178  -7.897 -11.877
  192   HD12  LEU  25          HD12      LEU  25  56.578  -9.181 -10.827
  193   HD13  LEU  25          HD13      LEU  25  57.982  -9.466 -11.856
  194   HD21  LEU  25          HD21      LEU  25  58.330  -6.717  -8.622
  195   HD22  LEU  25          HD22      LEU  25  56.899  -7.747  -8.662
  196   HD23  LEU  25          HD23      LEU  25  57.132  -6.513  -9.899
  Start of MODEL   23
    1    H1   GLY   1           HT1      GLY   1  48.395  22.826   7.057
    2    H2   GLY   1           HT2      GLY   1  49.731  23.090   8.075
    3    H3   GLY   1           HT3      GLY   1  48.154  23.374   8.643
    4    HA2  GLY   1           HA1      GLY   1  48.944  20.735   7.692
    5    HA3  GLY   1           HA2      GLY   1  49.349  21.261   9.321
    6    H    TRP   2           HN       TRP   2  47.073  22.808   9.872
    7    HA   TRP   2           HA       TRP   2  45.101  20.675  10.324
    8    HB2  TRP   2           HB2      TRP   2  44.103  22.256  11.915
    9    HB3  TRP   2           HB1      TRP   2  45.822  22.037  12.241
   10    HD1  TRP   2           HD1      TRP   2  43.275  24.618  11.275
   11    HE1  TRP   2           HE1      TRP   2  44.412  26.919  11.032
   12    HE3  TRP   2           HE3      TRP   2  48.187  23.191  11.492
   13    HZ2  TRP   2           HZ2      TRP   2  47.064  28.023  10.940
   14    HZ3  TRP   2           HZ3      TRP   2  50.004  24.886  11.325
   15    HH2  TRP   2           HH2      TRP   2  49.446  27.298  11.049
   16    H    GLY   3           HN       GLY   3  45.092  24.085   9.253
   17    HA2  GLY   3           HA1      GLY   3  42.429  23.935   8.225
   18    HA3  GLY   3           HA2      GLY   3  43.568  25.255   7.991
   19    H    SER   4           HN       SER   4  45.553  23.184   6.966
   20    HA   SER   4           HA       SER   4  44.957  23.520   4.194
   21    HB2  SER   4           HB2      SER   4  46.980  22.174   3.825
   22    HB3  SER   4           HB1      SER   4  47.265  23.420   5.036
   23    HG   SER   4           HG       SER   4  46.663  21.693   6.587
   24    H    PHE   5           HN       PHE   5  43.523  22.383   3.071
   25    HA   PHE   5           HA       PHE   5  43.505  19.535   3.034
   26    HB2  PHE   5           HB2      PHE   5  42.319  19.881   5.180
   27    HB3  PHE   5           HB1      PHE   5  41.115  20.858   4.339
   28    HD1  PHE   5           HD1      PHE   5  39.350  19.837   3.058
   29    HD2  PHE   5           HD2      PHE   5  42.620  17.450   4.555
   30    HE1  PHE   5           HE1      PHE   5  38.127  17.760   2.421
   31    HE2  PHE   5           HE2      PHE   5  41.397  15.375   3.918
   32    HZ   PHE   5           HZ       PHE   5  39.151  15.530   2.849
   33    H    PHE   6           HN       PHE   6  43.719  19.988   0.810
   34    HA   PHE   6           HA       PHE   6  41.188  20.309  -0.577
   35    HB2  PHE   6           HB2      PHE   6  43.435  22.280  -1.067
   36    HB3  PHE   6           HB1      PHE   6  41.926  22.180  -1.972
   37    HD1  PHE   6           HD1      PHE   6  39.751  22.735  -0.887
   38    HD2  PHE   6           HD2      PHE   6  43.520  23.276   1.146
   39    HE1  PHE   6           HE1      PHE   6  38.632  24.185   0.802
   40    HE2  PHE   6           HE2      PHE   6  42.401  24.727   2.835
   41    HZ   PHE   6           HZ       PHE   6  39.968  25.224   2.631
   42    H    ARG   7           HN       ARG   7  43.057  18.179  -0.299
   43    HA   ARG   7           HA       ARG   7  44.227  16.640  -1.545
   44    HB2  ARG   7           HB2      ARG   7  42.776  17.929  -3.867
   45    HB3  ARG   7           HB1      ARG   7  43.438  16.296  -3.805
   46    HG2  ARG   7           HG2      ARG   7  41.889  15.753  -1.945
   47    HG3  ARG   7           HG1      ARG   7  41.198  17.372  -2.067
   48    HD2  ARG   7           HD2      ARG   7  39.863  15.647  -3.295
   49    HD3  ARG   7           HD1      ARG   7  40.458  16.936  -4.344
   50    HE   ARG   7           HE       ARG   7  42.270  14.656  -4.233
   51   HH11  ARG   7          HH11      ARG   7  41.965  16.236  -6.693
   52   HH12  ARG   7          HH12      ARG   7  40.983  15.221  -7.697
   53   HH21  ARG   7          HH21      ARG   7  39.903  13.226  -5.074
   54   HH22  ARG   7          HH22      ARG   7  39.817  13.516  -6.778
   55    H    ARG   8           HN       ARG   8  45.912  18.547  -0.899
   56    HA   ARG   8           HA       ARG   8  47.066  20.000  -3.060
   57    HB2  ARG   8           HB2      ARG   8  47.312  20.418  -0.527
   58    HB3  ARG   8           HB1      ARG   8  48.538  19.153  -0.557
   59    HG2  ARG   8           HG2      ARG   8  49.780  20.424  -2.295
   60    HG3  ARG   8           HG1      ARG   8  48.567  21.699  -2.211
   61    HD2  ARG   8           HD2      ARG   8  50.426  22.356  -0.814
   62    HD3  ARG   8           HD1      ARG   8  49.085  21.920   0.245
   63    HE   ARG   8           HE       ARG   8  50.501  19.558  -0.003
   64   HH11  ARG   8          HH11      ARG   8  51.007  19.627   2.470
   65   HH12  ARG   8          HH12      ARG   8  52.402  20.590   2.825
   66   HH21  ARG   8          HH21      ARG   8  52.421  22.179  -0.256
   67   HH22  ARG   8          HH22      ARG   8  53.204  22.033   1.281
   68    H    ALA   9           HN       ALA   9  47.036  16.725  -2.323
   69    HA   ALA   9           HA       ALA   9  48.162  14.904  -3.142
   70    HB1  ALA   9           HB1      ALA   9  49.327  16.779  -5.198
   71    HB2  ALA   9           HB2      ALA   9  47.674  16.170  -5.286
   72    HB3  ALA   9           HB3      ALA   9  49.031  15.046  -5.348
   73    H    ALA  10           HN       ALA  10  50.330  13.954  -3.412
   74    HA   ALA  10           HA       ALA  10  52.441  13.599  -2.573
   75    HB1  ALA  10           HB1      ALA  10  52.907  15.307  -4.329
   76    HB2  ALA  10           HB2      ALA  10  54.053  15.343  -2.989
   77    HB3  ALA  10           HB3      ALA  10  52.776  16.555  -3.090
   78    H    HIS  11           HN       HIS  11  50.207  14.632  -0.793
   79    HA   HIS  11           HA       HIS  11  51.813  14.908   1.601
   80    HB2  HIS  11           HB2      HIS  11  50.094  17.196   0.614
   81    HB3  HIS  11           HB1      HIS  11  50.637  17.042   2.285
   82    HD1  HIS  11           HD1      HIS  11  51.619  18.540  -0.817
   83    HD2  HIS  11           HD2      HIS  11  53.661  16.799   2.370
   84    HE1  HIS  11           HE1      HIS  11  54.028  19.294  -1.012
   85    H    VAL  12           HN       VAL  12  48.771  14.590  -0.047
   86    HA   VAL  12           HA       VAL  12  46.975  14.456   2.076
   87    HB   VAL  12           HB       VAL  12  45.642  12.904   0.621
   88   HG11  VAL  12          HG11      VAL  12  45.368  15.280   0.300
   89   HG12  VAL  12          HG12      VAL  12  45.464  14.540  -1.298
   90   HG13  VAL  12          HG13      VAL  12  46.863  15.380  -0.628
   91   HG21  VAL  12          HG21      VAL  12  46.547  12.410  -1.635
   92   HG22  VAL  12          HG22      VAL  12  47.539  11.681  -0.372
   93   HG23  VAL  12          HG23      VAL  12  48.078  13.156  -1.176
   94    H    GLY  13           HN       GLY  13  49.367  12.149   0.993
   95    HA2  GLY  13           HA1      GLY  13  49.336  10.718   3.427
   96    HA3  GLY  13           HA2      GLY  13  48.440   9.821   2.210
   97    H    ARG  14           HN       ARG  14  51.386  11.808   1.985
   98    HA   ARG  14           HA       ARG  14  52.703  10.191   0.141
   99    HB2  ARG  14           HB2      ARG  14  54.798  11.285   1.002
  100    HB3  ARG  14           HB1      ARG  14  53.512  12.413   0.575
  101    HG2  ARG  14           HG2      ARG  14  52.873  12.658   2.901
  102    HG3  ARG  14           HG1      ARG  14  54.006  11.397   3.388
  103    HD2  ARG  14           HD2      ARG  14  55.871  12.813   2.468
  104    HD3  ARG  14           HD1      ARG  14  54.693  14.101   2.207
  105    HE   ARG  14           HE       ARG  14  54.546  13.208   4.929
  106   HH11  ARG  14          HH11      ARG  14  56.089  15.291   2.684
  107   HH12  ARG  14          HH12      ARG  14  57.000  16.145   3.885
  108   HH21  ARG  14          HH21      ARG  14  55.907  14.156   6.508
  109   HH22  ARG  14          HH22      ARG  14  56.896  15.502   6.050
  110    H    HIS  15           HN       HIS  15  52.103   9.653   3.469
  111    HA   HIS  15           HA       HIS  15  54.313   8.017   4.135
  112    HB2  HIS  15           HB2      HIS  15  52.749   8.950   5.809
  113    HB3  HIS  15           HB1      HIS  15  51.481   7.889   5.198
  114    HD1  HIS  15           HD1      HIS  15  51.222   6.032   6.843
  115    HD2  HIS  15           HD2      HIS  15  55.232   7.005   6.257
  116    HE1  HIS  15           HE1      HIS  15  52.569   4.351   8.175
  117    H    VAL  16           HN       VAL  16  51.044   7.186   2.982
  118    HA   VAL  16           HA       VAL  16  51.636   4.386   2.747
  119    HB   VAL  16           HB       VAL  16  49.383   5.893   1.389
  120   HG11  VAL  16          HG11      VAL  16  48.255   3.699   1.557
  121   HG12  VAL  16          HG12      VAL  16  49.698   3.018   2.310
  122   HG13  VAL  16          HG13      VAL  16  49.754   3.574   0.638
  123   HG21  VAL  16          HG21      VAL  16  49.286   6.452   3.738
  124   HG22  VAL  16          HG22      VAL  16  49.612   4.781   4.202
  125   HG23  VAL  16          HG23      VAL  16  48.075   5.204   3.444
  126    H    GLY  17           HN       GLY  17  51.512   7.135   0.520
  127    HA2  GLY  17           HA1      GLY  17  51.853   5.698  -1.876
  128    HA3  GLY  17           HA2      GLY  17  52.253   7.393  -1.633
  129    H    ARG  18           HN       ARG  18  54.289   7.564  -0.054
  130    HA   ARG  18           HA       ARG  18  56.529   6.811  -1.502
  131    HB2  ARG  18           HB2      ARG  18  56.568   8.542   0.242
  132    HB3  ARG  18           HB1      ARG  18  56.341   7.308   1.481
  133    HG2  ARG  18           HG2      ARG  18  58.467   6.300   0.988
  134    HG3  ARG  18           HG1      ARG  18  58.661   7.282  -0.466
  135    HD2  ARG  18           HD2      ARG  18  58.465   8.434   2.329
  136    HD3  ARG  18           HD1      ARG  18  59.992   8.110   1.507
  137    HE   ARG  18           HE       ARG  18  58.185  10.330   0.950
  138   HH11  ARG  18          HH11      ARG  18  58.607   8.736  -1.628
  139   HH12  ARG  18          HH12      ARG  18  59.974   9.558  -2.303
  140   HH21  ARG  18          HH21      ARG  18  60.802  11.167   0.655
  141   HH22  ARG  18          HH22      ARG  18  61.216  10.934  -1.012
  142    H    ALA  19           HN       ALA  19  54.969   5.151   1.215
  143    HA   ALA  19           HA       ALA  19  56.835   3.108   1.607
  144    HB1  ALA  19           HB1      ALA  19  53.830   2.935   1.867
  145    HB2  ALA  19           HB2      ALA  19  54.924   3.557   3.103
  146    HB3  ALA  19           HB3      ALA  19  55.005   1.861   2.625
  147    H    ALA  20           HN       ALA  20  57.660   2.307  -0.313
  148    HA   ALA  20           HA       ALA  20  56.026   1.403  -2.471
  149    HB1  ALA  20           HB1      ALA  20  58.897   0.754  -1.791
  150    HB2  ALA  20           HB2      ALA  20  58.348   2.090  -2.801
  151    HB3  ALA  20           HB3      ALA  20  58.108   0.426  -3.333
  152    H    LEU  21           HN       LEU  21  56.044   0.236   0.510
  153    HA   LEU  21           HA       LEU  21  56.541  -2.543   0.211
  154    HB2  LEU  21           HB2      LEU  21  54.578  -1.317   2.153
  155    HB3  LEU  21           HB1      LEU  21  55.505  -2.804   2.340
  156    HG   LEU  21           HG       LEU  21  56.671  -0.004   2.211
  157   HD11  LEU  21          HD11      LEU  21  57.117  -0.277   4.572
  158   HD12  LEU  21          HD12      LEU  21  56.534  -1.941   4.538
  159   HD13  LEU  21          HD13      LEU  21  55.405  -0.607   4.305
  160   HD21  LEU  21          HD21      LEU  21  57.906  -2.761   2.456
  161   HD22  LEU  21          HD22      LEU  21  58.751  -1.318   3.016
  162   HD23  LEU  21          HD23      LEU  21  58.317  -1.478   1.318
  163    H    THR  22           HN       THR  22  53.989  -0.525  -0.844
  164    HA   THR  22           HA       THR  22  51.887  -2.457  -0.875
  165    HB   THR  22           HB       THR  22  52.193  -0.013  -2.647
  166    HG1  THR  22           HG1      THR  22  50.550   0.552  -0.787
  167   HG21  THR  22          HG21      THR  22  49.683  -0.148  -2.632
  168   HG22  THR  22          HG22      THR  22  49.823  -1.702  -1.808
  169   HG23  THR  22          HG23      THR  22  50.463  -1.507  -3.440
  170    H    HIS  23           HN       HIS  23  51.291  -3.900  -2.417
  171    HA   HIS  23           HA       HIS  23  53.200  -4.903  -4.222
  172    HB2  HIS  23           HB2      HIS  23  50.198  -5.262  -4.119
  173    HB3  HIS  23           HB1      HIS  23  51.263  -6.181  -5.182
  174    HD1  HIS  23           HD1      HIS  23  53.596  -6.835  -3.383
  175    HD2  HIS  23           HD2      HIS  23  49.634  -7.106  -2.121
  176    HE1  HIS  23           HE1      HIS  23  53.584  -8.391  -1.384
  177    H    TYR  24           HN       TYR  24  53.869  -2.910  -5.302
  178    HA   TYR  24           HA       TYR  24  52.122  -1.444  -6.995
  179    HB2  TYR  24           HB2      TYR  24  54.349  -0.639  -6.162
  180    HB3  TYR  24           HB1      TYR  24  55.117  -1.764  -7.282
  181    HD1  TYR  24           HD1      TYR  24  54.863  -1.487  -9.741
  182    HD2  TYR  24           HD2      TYR  24  53.259   1.388  -6.950
  183    HE1  TYR  24           HE1      TYR  24  54.598   0.161 -11.590
  184    HE2  TYR  24           HE2      TYR  24  52.996   3.036  -8.800
  185    HH   TYR  24           HH       TYR  24  54.177   3.455 -10.979
  186    H    LEU  25           HN       LEU  25  51.467  -1.788  -9.041
  187    HA   LEU  25           HA       LEU  25  52.860  -3.454 -10.891
  188    HB2  LEU  25           HB2      LEU  25  51.980  -5.286  -9.608
  189    HB3  LEU  25           HB1      LEU  25  50.382  -4.553  -9.546
  190    HG   LEU  25           HG       LEU  25  50.036  -4.921 -11.907
  191   HD11  LEU  25          HD11      LEU  25  52.972  -5.658 -11.906
  192   HD12  LEU  25          HD12      LEU  25  52.147  -4.455 -12.899
  193   HD13  LEU  25          HD13      LEU  25  51.890  -6.171 -13.202
  194   HD21  LEU  25          HD21      LEU  25  50.064  -7.337 -11.984
  195   HD22  LEU  25          HD22      LEU  25  49.758  -6.859 -10.314
  196   HD23  LEU  25          HD23      LEU  25  51.364  -7.408 -10.795
  Start of MODEL   24
    1    H1   GLY   1           HT1      GLY   1  44.772  21.762   5.849
    2    H2   GLY   1           HT2      GLY   1  45.235  20.132   5.976
    3    H3   GLY   1           HT3      GLY   1  46.209  21.232   5.123
    4    HA2  GLY   1           HA1      GLY   1  47.151  20.749   7.239
    5    HA3  GLY   1           HA2      GLY   1  46.662  22.432   7.116
    6    H    TRP   2           HN       TRP   2  43.907  22.159   7.471
    7    HA   TRP   2           HA       TRP   2  43.389  20.685   9.917
    8    HB2  TRP   2           HB2      TRP   2  43.439  23.713   9.936
    9    HB3  TRP   2           HB1      TRP   2  42.816  22.697  11.235
   10    HD1  TRP   2           HD1      TRP   2  45.968  24.144   9.863
   11    HE1  TRP   2           HE1      TRP   2  47.993  23.323  11.234
   12    HE3  TRP   2           HE3      TRP   2  43.720  20.464  12.622
   13    HZ2  TRP   2           HZ2      TRP   2  48.591  21.357  13.243
   14    HZ3  TRP   2           HZ3      TRP   2  45.037  19.129  14.260
   15    HH2  TRP   2           HH2      TRP   2  47.469  19.573  14.573
   16    H    GLY   3           HN       GLY   3  41.620  19.751   8.982
   17    HA2  GLY   3           HA1      GLY   3  39.491  19.546   8.161
   18    HA3  GLY   3           HA2      GLY   3  39.161  21.031   9.043
   19    H    SER   4           HN       SER   4  41.445  20.696   6.384
   20    HA   SER   4           HA       SER   4  39.668  21.705   4.374
   21    HB2  SER   4           HB2      SER   4  39.924  23.798   5.547
   22    HB3  SER   4           HB1      SER   4  41.671  23.598   5.623
   23    HG   SER   4           HG       SER   4  40.481  24.890   3.817
   24    H    PHE   5           HN       PHE   5  41.589  19.551   4.756
   25    HA   PHE   5           HA       PHE   5  44.056  19.929   3.544
   26    HB2  PHE   5           HB2      PHE   5  43.901  17.528   2.896
   27    HB3  PHE   5           HB1      PHE   5  43.470  17.815   4.581
   28    HD1  PHE   5           HD1      PHE   5  42.146  17.076   1.192
   29    HD2  PHE   5           HD2      PHE   5  41.194  17.509   5.380
   30    HE1  PHE   5           HE1      PHE   5  39.910  16.051   0.791
   31    HE2  PHE   5           HE2      PHE   5  38.958  16.484   4.977
   32    HZ   PHE   5           HZ       PHE   5  38.292  15.821   2.670
   33    H    PHE   6           HN       PHE   6  44.488  18.685   1.310
   34    HA   PHE   6           HA       PHE   6  42.565  19.146  -0.767
   35    HB2  PHE   6           HB2      PHE   6  43.267  21.470  -0.387
   36    HB3  PHE   6           HB1      PHE   6  44.953  21.003  -0.607
   37    HD1  PHE   6           HD1      PHE   6  41.634  21.206  -2.303
   38    HD2  PHE   6           HD2      PHE   6  45.895  20.718  -2.803
   39    HE1  PHE   6           HE1      PHE   6  41.376  21.466  -4.767
   40    HE2  PHE   6           HE2      PHE   6  45.635  20.979  -5.267
   41    HZ   PHE   6           HZ       PHE   6  43.381  21.388  -6.246
   42    H    ARG   7           HN       ARG   7  46.097  19.514  -0.805
   43    HA   ARG   7           HA       ARG   7  46.606  16.816  -1.595
   44    HB2  ARG   7           HB2      ARG   7  45.544  17.957  -3.671
   45    HB3  ARG   7           HB1      ARG   7  47.067  18.832  -3.802
   46    HG2  ARG   7           HG2      ARG   7  48.261  16.611  -3.785
   47    HG3  ARG   7           HG1      ARG   7  46.684  15.824  -3.854
   48    HD2  ARG   7           HD2      ARG   7  46.183  16.891  -5.977
   49    HD3  ARG   7           HD1      ARG   7  47.664  17.844  -5.890
   50    HE   ARG   7           HE       ARG   7  47.476  15.101  -6.786
   51   HH11  ARG   7          HH11      ARG   7  49.243  14.576  -4.557
   52   HH12  ARG   7          HH12      ARG   7  50.811  15.018  -5.148
   53   HH21  ARG   7          HH21      ARG   7  49.578  16.889  -7.794
   54   HH22  ARG   7          HH22      ARG   7  51.000  16.327  -6.980
   55    H    ARG   8           HN       ARG   8  47.605  18.496   0.386
   56    HA   ARG   8           HA       ARG   8  50.420  18.279  -0.087
   57    HB2  ARG   8           HB2      ARG   8  50.914  20.711   0.259
   58    HB3  ARG   8           HB1      ARG   8  50.129  20.362  -1.282
   59    HG2  ARG   8           HG2      ARG   8  47.940  20.966  -0.290
   60    HG3  ARG   8           HG1      ARG   8  48.749  21.364   1.225
   61    HD2  ARG   8           HD2      ARG   8  48.360  23.394  -0.126
   62    HD3  ARG   8           HD1      ARG   8  50.086  23.082   0.067
   63    HE   ARG   8           HE       ARG   8  50.212  22.781  -2.264
   64   HH11  ARG   8          HH11      ARG   8  48.998  20.800  -3.441
   65   HH12  ARG   8          HH12      ARG   8  47.433  21.298  -3.996
   66   HH21  ARG   8          HH21      ARG   8  47.322  24.114  -1.974
   67   HH22  ARG   8          HH22      ARG   8  46.486  23.175  -3.166
   68    H    ALA   9           HN       ALA   9  47.701  18.598   1.833
   69    HA   ALA   9           HA       ALA   9  48.641  19.638   4.248
   70    HB1  ALA   9           HB1      ALA   9  46.701  17.346   3.923
   71    HB2  ALA   9           HB2      ALA   9  46.273  19.046   3.728
   72    HB3  ALA   9           HB3      ALA   9  46.822  18.449   5.294
   73    H    ALA  10           HN       ALA  10  48.753  16.306   3.017
   74    HA   ALA  10           HA       ALA  10  51.171  15.744   4.454
   75    HB1  ALA  10           HB1      ALA  10  49.701  15.502   6.339
   76    HB2  ALA  10           HB2      ALA  10  50.184  13.887   5.815
   77    HB3  ALA  10           HB3      ALA  10  48.585  14.508   5.402
   78    H    HIS  11           HN       HIS  11  49.038  15.280   1.997
   79    HA   HIS  11           HA       HIS  11  49.437  12.509   1.405
   80    HB2  HIS  11           HB2      HIS  11  48.622  14.791  -0.414
   81    HB3  HIS  11           HB1      HIS  11  48.480  13.073  -0.788
   82    HD1  HIS  11           HD1      HIS  11  46.094  12.411  -0.535
   83    HD2  HIS  11           HD2      HIS  11  47.235  15.138   2.402
   84    HE1  HIS  11           HE1      HIS  11  44.101  12.685   1.001
   85    H    VAL  12           HN       VAL  12  50.727  15.482  -0.097
   86    HA   VAL  12           HA       VAL  12  52.638  15.872  -1.304
   87    HB   VAL  12           HB       VAL  12  53.726  13.602   0.394
   88   HG11  VAL  12          HG11      VAL  12  55.215  13.991  -1.454
   89   HG12  VAL  12          HG12      VAL  12  55.909  14.827  -0.065
   90   HG13  VAL  12          HG13      VAL  12  55.044  15.739  -1.302
   91   HG21  VAL  12          HG21      VAL  12  54.588  15.473   1.802
   92   HG22  VAL  12          HG22      VAL  12  52.826  15.423   1.762
   93   HG23  VAL  12          HG23      VAL  12  53.696  16.611   0.793
   94    H    GLY  13           HN       GLY  13  53.256  12.410  -0.894
   95    HA2  GLY  13           HA1      GLY  13  52.165  11.377  -3.196
   96    HA3  GLY  13           HA2      GLY  13  53.707  12.059  -3.691
   97    H    ARG  14           HN       ARG  14  52.371  10.002  -1.098
   98    HA   ARG  14           HA       ARG  14  54.860   8.661  -0.642
   99    HB2  ARG  14           HB2      ARG  14  52.020   8.021   0.181
  100    HB3  ARG  14           HB1      ARG  14  53.419   7.075   0.689
  101    HG2  ARG  14           HG2      ARG  14  54.425   9.177   1.625
  102    HG3  ARG  14           HG1      ARG  14  52.919  10.013   1.246
  103    HD2  ARG  14           HD2      ARG  14  53.203   7.611   3.076
  104    HD3  ARG  14           HD1      ARG  14  52.920   9.274   3.591
  105    HE   ARG  14           HE       ARG  14  50.910   7.455   2.546
  106   HH11  ARG  14          HH11      ARG  14  51.567  10.484   3.858
  107   HH12  ARG  14          HH12      ARG  14  50.146  11.252   3.237
  108   HH21  ARG  14          HH21      ARG  14  49.214   8.545   1.280
  109   HH22  ARG  14          HH22      ARG  14  48.812  10.154   1.779
  110    H    HIS  15           HN       HIS  15  51.937   7.943  -2.498
  111    HA   HIS  15           HA       HIS  15  52.594   5.282  -3.199
  112    HB2  HIS  15           HB2      HIS  15  50.920   7.311  -4.699
  113    HB3  HIS  15           HB1      HIS  15  50.939   5.575  -5.003
  114    HD1  HIS  15           HD1      HIS  15  49.867   8.117  -2.434
  115    HD2  HIS  15           HD2      HIS  15  49.570   4.009  -3.066
  116    HE1  HIS  15           HE1      HIS  15  48.175   7.255  -0.758
  117    H    VAL  16           HN       VAL  16  53.889   4.443  -4.731
  118    HA   VAL  16           HA       VAL  16  55.604   4.351  -6.259
  119    HB   VAL  16           HB       VAL  16  54.164   6.649  -7.611
  120   HG11  VAL  16          HG11      VAL  16  55.061   5.605  -9.650
  121   HG12  VAL  16          HG12      VAL  16  55.806   4.334  -8.682
  122   HG13  VAL  16          HG13      VAL  16  56.371   5.998  -8.535
  123   HG21  VAL  16          HG21      VAL  16  53.576   3.674  -7.634
  124   HG22  VAL  16          HG22      VAL  16  52.903   4.819  -8.795
  125   HG23  VAL  16          HG23      VAL  16  52.502   4.959  -7.084
  126    H    GLY  17           HN       GLY  17  56.888   5.305  -4.394
  127    HA2  GLY  17           HA1      GLY  17  58.798   7.074  -5.294
  128    HA3  GLY  17           HA2      GLY  17  57.609   8.063  -4.458
  129    H    ARG  18           HN       ARG  18  56.879   6.735  -2.305
  130    HA   ARG  18           HA       ARG  18  59.205   6.841  -0.622
  131    HB2  ARG  18           HB2      ARG  18  56.873   7.535   0.060
  132    HB3  ARG  18           HB1      ARG  18  56.451   5.823   0.106
  133    HG2  ARG  18           HG2      ARG  18  58.217   5.412   1.765
  134    HG3  ARG  18           HG1      ARG  18  58.685   7.112   1.703
  135    HD2  ARG  18           HD2      ARG  18  56.294   7.670   2.384
  136    HD3  ARG  18           HD1      ARG  18  56.079   5.950   2.711
  137    HE   ARG  18           HE       ARG  18  57.343   6.238   4.677
  138   HH11  ARG  18          HH11      ARG  18  59.913   7.024   4.156
  139   HH12  ARG  18          HH12      ARG  18  60.008   8.723   4.483
  140   HH21  ARG  18          HH21      ARG  18  56.578   9.209   4.364
  141   HH22  ARG  18          HH22      ARG  18  58.120   9.959   4.601
  142    H    ALA  19           HN       ALA  19  57.279   4.309  -2.100
  143    HA   ALA  19           HA       ALA  19  57.507   2.023  -2.154
  144    HB1  ALA  19           HB1      ALA  19  59.765   1.194  -2.345
  145    HB2  ALA  19           HB2      ALA  19  60.406   2.650  -1.584
  146    HB3  ALA  19           HB3      ALA  19  59.662   2.743  -3.180
  147    H    ALA  20           HN       ALA  20  56.440   1.153  -0.459
  148    HA   ALA  20           HA       ALA  20  57.982   0.251   1.819
  149    HB1  ALA  20           HB1      ALA  20  56.613   1.316   3.513
  150    HB2  ALA  20           HB2      ALA  20  55.645   2.112   2.272
  151    HB3  ALA  20           HB3      ALA  20  57.340   2.552   2.486
  152    H    LEU  21           HN       LEU  21  56.556  -1.000  -0.332
  153    HA   LEU  21           HA       LEU  21  55.046  -2.689  -0.719
  154    HB2  LEU  21           HB2      LEU  21  55.001  -3.113   2.271
  155    HB3  LEU  21           HB1      LEU  21  54.844  -4.315   0.991
  156    HG   LEU  21           HG       LEU  21  57.344  -2.728   1.656
  157   HD11  LEU  21          HD11      LEU  21  58.243  -4.898   2.341
  158   HD12  LEU  21          HD12      LEU  21  56.729  -5.687   1.898
  159   HD13  LEU  21          HD13      LEU  21  56.770  -4.551   3.247
  160   HD21  LEU  21          HD21      LEU  21  58.357  -4.379  -0.034
  161   HD22  LEU  21          HD22      LEU  21  57.365  -3.088  -0.708
  162   HD23  LEU  21          HD23      LEU  21  56.700  -4.713  -0.543
  163    H    THR  22           HN       THR  22  53.828  -0.278  -0.753
  164    HA   THR  22           HA       THR  22  51.624  -0.081   1.068
  165    HB   THR  22           HB       THR  22  51.901   1.204  -1.665
  166    HG1  THR  22           HG1      THR  22  52.758   2.013   0.910
  167   HG21  THR  22          HG21      THR  22  50.411   2.922  -0.590
  168   HG22  THR  22          HG22      THR  22  50.233   1.830   0.784
  169   HG23  THR  22          HG23      THR  22  49.643   1.350  -0.808
  170    H    HIS  23           HN       HIS  23  49.561  -0.805   0.873
  171    HA   HIS  23           HA       HIS  23  49.026  -3.005  -0.849
  172    HB2  HIS  23           HB2      HIS  23  47.000  -1.341   0.660
  173    HB3  HIS  23           HB1      HIS  23  46.830  -3.015   0.129
  174    HD1  HIS  23           HD1      HIS  23  47.802  -4.824   1.618
  175    HD2  HIS  23           HD2      HIS  23  48.845  -0.989   2.868
  176    HE1  HIS  23           HE1      HIS  23  48.960  -5.090   3.854
  177    H    TYR  24           HN       TYR  24  46.323  -2.425  -1.574
  178    HA   TYR  24           HA       TYR  24  45.138  -1.673  -3.386
  179    HB2  TYR  24           HB2      TYR  24  45.353   0.467  -2.126
  180    HB3  TYR  24           HB1      TYR  24  46.811   0.828  -3.050
  181    HD1  TYR  24           HD1      TYR  24  43.171   0.011  -3.422
  182    HD2  TYR  24           HD2      TYR  24  46.658   1.818  -5.217
  183    HE1  TYR  24           HE1      TYR  24  41.761   0.899  -5.272
  184    HE2  TYR  24           HE2      TYR  24  45.245   2.706  -7.067
  185    HH   TYR  24           HH       TYR  24  43.153   2.221  -8.151
  186    H    LEU  25           HN       LEU  25  48.115   0.120  -4.104
  187    HA   LEU  25           HA       LEU  25  49.051  -1.742  -6.061
  188    HB2  LEU  25           HB2      LEU  25  46.942  -0.513  -7.062
  189    HB3  LEU  25           HB1      LEU  25  48.058   0.827  -7.295
  190    HG   LEU  25           HG       LEU  25  48.364  -1.991  -8.386
  191   HD11  LEU  25          HD11      LEU  25  48.146  -0.853 -10.570
  192   HD12  LEU  25          HD12      LEU  25  47.909   0.685  -9.742
  193   HD13  LEU  25          HD13      LEU  25  46.714  -0.601  -9.571
  194   HD21  LEU  25          HD21      LEU  25  50.219   0.406  -8.396
  195   HD22  LEU  25          HD22      LEU  25  50.334  -0.856  -9.623
  196   HD23  LEU  25          HD23      LEU  25  50.581  -1.256  -7.927
  Start of MODEL   25
    1    H1   GLY   1           HT1      GLY   1  53.627  16.036   8.991
    2    H2   GLY   1           HT2      GLY   1  55.211  16.076   8.379
    3    H3   GLY   1           HT3      GLY   1  53.887  15.971   7.319
    4    HA2  GLY   1           HA1      GLY   1  55.170  18.212   8.051
    5    HA3  GLY   1           HA2      GLY   1  53.593  18.111   7.281
    6    H    TRP   2           HN       TRP   2  54.097  20.258   8.835
    7    HA   TRP   2           HA       TRP   2  53.139  19.817  11.549
    8    HB2  TRP   2           HB2      TRP   2  53.272  22.325  11.667
    9    HB3  TRP   2           HB1      TRP   2  54.794  21.539  11.253
   10    HD1  TRP   2           HD1      TRP   2  55.469  21.537   8.607
   11    HE1  TRP   2           HE1      TRP   2  54.975  23.282   6.775
   12    HE3  TRP   2           HE3      TRP   2  51.624  24.077  10.838
   13    HZ2  TRP   2           HZ2      TRP   2  53.182  25.477   6.307
   14    HZ3  TRP   2           HZ3      TRP   2  50.536  25.994   9.679
   15    HH2  TRP   2           HH2      TRP   2  51.311  26.696   7.417
   16    H    GLY   3           HN       GLY   3  52.028  21.869   8.843
   17    HA2  GLY   3           HA1      GLY   3  49.386  22.109   9.949
   18    HA3  GLY   3           HA2      GLY   3  49.933  22.720   8.393
   19    H    SER   4           HN       SER   4  50.888  19.610   8.410
   20    HA   SER   4           HA       SER   4  50.158  17.730   7.306
   21    HB2  SER   4           HB2      SER   4  48.660  17.683   9.322
   22    HB3  SER   4           HB1      SER   4  47.439  18.523   8.371
   23    HG   SER   4           HG       SER   4  47.194  16.235   8.322
   24    H    PHE   5           HN       PHE   5  49.962  20.484   6.044
   25    HA   PHE   5           HA       PHE   5  49.256  21.409   4.065
   26    HB2  PHE   5           HB2      PHE   5  48.628  18.553   3.290
   27    HB3  PHE   5           HB1      PHE   5  48.969  19.903   2.208
   28    HD1  PHE   5           HD1      PHE   5  50.411  17.281   4.279
   29    HD2  PHE   5           HD2      PHE   5  51.259  21.001   2.261
   30    HE1  PHE   5           HE1      PHE   5  52.852  16.801   4.423
   31    HE2  PHE   5           HE2      PHE   5  53.700  20.522   2.406
   32    HZ   PHE   5           HZ       PHE   5  54.497  18.455   3.547
   33    H    PHE   6           HN       PHE   6  47.214  20.542   2.294
   34    HA   PHE   6           HA       PHE   6  44.753  20.177   3.747
   35    HB2  PHE   6           HB2      PHE   6  43.769  22.360   3.181
   36    HB3  PHE   6           HB1      PHE   6  45.163  22.545   4.244
   37    HD1  PHE   6           HD1      PHE   6  43.705  23.500   1.091
   38    HD2  PHE   6           HD2      PHE   6  47.471  22.992   3.140
   39    HE1  PHE   6           HE1      PHE   6  44.817  24.965  -0.589
   40    HE2  PHE   6           HE2      PHE   6  48.582  24.455   1.458
   41    HZ   PHE   6           HZ       PHE   6  47.270  25.383  -0.445
   42    H    ARG   7           HN       ARG   7  44.130  18.606   2.353
   43    HA   ARG   7           HA       ARG   7  43.492  17.574   0.394
   44    HB2  ARG   7           HB2      ARG   7  42.564  20.396  -0.194
   45    HB3  ARG   7           HB1      ARG   7  42.013  18.941  -1.025
   46    HG2  ARG   7           HG2      ARG   7  41.211  18.036   1.152
   47    HG3  ARG   7           HG1      ARG   7  41.683  19.548   1.927
   48    HD2  ARG   7           HD2      ARG   7  39.328  19.704   1.429
   49    HD3  ARG   7           HD1      ARG   7  40.175  20.754   0.295
   50    HE   ARG   7           HE       ARG   7  39.937  18.229  -0.949
   51   HH11  ARG   7          HH11      ARG   7  38.958  20.388  -2.508
   52   HH12  ARG   7          HH12      ARG   7  37.232  20.276  -2.408
   53   HH21  ARG   7          HH21      ARG   7  37.264  18.230   0.392
   54   HH22  ARG   7          HH22      ARG   7  36.274  19.054  -0.766
   55    H    ARG   8           HN       ARG   8  46.197  18.257   0.374
   56    HA   ARG   8           HA       ARG   8  47.006  19.708  -1.918
   57    HB2  ARG   8           HB2      ARG   8  48.466  19.082   0.041
   58    HB3  ARG   8           HB1      ARG   8  48.502  17.437  -0.592
   59    HG2  ARG   8           HG2      ARG   8  49.551  18.176  -2.643
   60    HG3  ARG   8           HG1      ARG   8  49.346  19.870  -2.193
   61    HD2  ARG   8           HD2      ARG   8  50.808  19.488  -0.215
   62    HD3  ARG   8           HD1      ARG   8  51.072  17.832  -0.761
   63    HE   ARG   8           HE       ARG   8  51.802  19.303  -2.964
   64   HH11  ARG   8          HH11      ARG   8  52.277  21.356  -0.643
   65   HH12  ARG   8          HH12      ARG   8  53.985  21.164  -0.433
   66   HH21  ARG   8          HH21      ARG   8  54.145  18.217  -2.254
   67   HH22  ARG   8          HH22      ARG   8  55.042  19.386  -1.344
   68    H    ALA   9           HN       ALA   9  45.561  16.647  -1.558
   69    HA   ALA   9           HA       ALA   9  45.066  14.959  -3.032
   70    HB1  ALA   9           HB1      ALA   9  45.860  16.890  -5.209
   71    HB2  ALA   9           HB2      ALA   9  44.322  16.992  -4.353
   72    HB3  ALA   9           HB3      ALA   9  44.708  15.557  -5.303
   73    H    ALA  10           HN       ALA  10  47.370  14.464  -1.923
   74    HA   ALA  10           HA       ALA  10  48.848  13.050  -3.933
   75    HB1  ALA  10           HB1      ALA  10  49.881  15.181  -4.331
   76    HB2  ALA  10           HB2      ALA  10  51.027  14.186  -3.432
   77    HB3  ALA  10           HB3      ALA  10  50.114  15.447  -2.604
   78    H    HIS  11           HN       HIS  11  50.351  14.401  -1.068
   79    HA   HIS  11           HA       HIS  11  50.899  11.794  -0.008
   80    HB2  HIS  11           HB2      HIS  11  52.404  13.772   0.280
   81    HB3  HIS  11           HB1      HIS  11  51.198  14.479   1.356
   82    HD1  HIS  11           HD1      HIS  11  52.327  10.848   1.194
   83    HD2  HIS  11           HD2      HIS  11  52.282  14.043   3.870
   84    HE1  HIS  11           HE1      HIS  11  53.209   9.953   3.392
   85    H    VAL  12           HN       VAL  12  48.176  13.726   0.048
   86    HA   VAL  12           HA       VAL  12  47.214  13.467   2.674
   87    HB   VAL  12           HB       VAL  12  45.556  13.463   0.133
   88   HG11  VAL  12          HG11      VAL  12  44.964  14.176   3.019
   89   HG12  VAL  12          HG12      VAL  12  44.236  12.876   2.075
   90   HG13  VAL  12          HG13      VAL  12  43.889  14.558   1.675
   91   HG21  VAL  12          HG21      VAL  12  45.535  15.880   0.315
   92   HG22  VAL  12          HG22      VAL  12  47.218  15.354   0.307
   93   HG23  VAL  12          HG23      VAL  12  46.447  15.819   1.823
   94    H    GLY  13           HN       GLY  13  46.340  11.497  -0.178
   95    HA2  GLY  13           HA1      GLY  13  46.433   9.052   1.344
   96    HA3  GLY  13           HA2      GLY  13  44.796   9.574   0.968
   97    H    ARG  14           HN       ARG  14  46.274  10.807  -1.540
   98    HA   ARG  14           HA       ARG  14  45.441   8.823  -3.372
   99    HB2  ARG  14           HB2      ARG  14  47.456  11.022  -3.876
  100    HB3  ARG  14           HB1      ARG  14  46.458  10.201  -5.074
  101    HG2  ARG  14           HG2      ARG  14  45.396  11.900  -2.792
  102    HG3  ARG  14           HG1      ARG  14  45.541  12.430  -4.466
  103    HD2  ARG  14           HD2      ARG  14  44.091  10.314  -5.012
  104    HD3  ARG  14           HD1      ARG  14  43.668  10.375  -3.299
  105    HE   ARG  14           HE       ARG  14  43.282  12.977  -4.285
  106   HH11  ARG  14          HH11      ARG  14  42.425  10.068  -5.788
  107   HH12  ARG  14          HH12      ARG  14  40.738  10.439  -5.913
  108   HH21  ARG  14          HH21      ARG  14  40.970  13.351  -4.046
  109   HH22  ARG  14          HH22      ARG  14  39.914  12.298  -4.926
  110    H    HIS  15           HN       HIS  15  48.287   9.146  -1.501
  111    HA   HIS  15           HA       HIS  15  50.258   7.977  -3.063
  112    HB2  HIS  15           HB2      HIS  15  50.646   8.895  -0.802
  113    HB3  HIS  15           HB1      HIS  15  49.773   7.530  -0.108
  114    HD1  HIS  15           HD1      HIS  15  51.374   5.840   0.760
  115    HD2  HIS  15           HD2      HIS  15  52.798   7.636  -2.722
  116    HE1  HIS  15           HE1      HIS  15  53.593   4.737   0.241
  117    H    VAL  16           HN       VAL  16  48.682   6.092  -0.504
  118    HA   VAL  16           HA       VAL  16  49.162   3.620  -1.852
  119    HB   VAL  16           HB       VAL  16  47.762   2.625  -0.044
  120   HG11  VAL  16          HG11      VAL  16  49.776   4.686   0.907
  121   HG12  VAL  16          HG12      VAL  16  50.172   3.074   0.314
  122   HG13  VAL  16          HG13      VAL  16  49.255   3.264   1.809
  123   HG21  VAL  16          HG21      VAL  16  46.115   4.373   0.258
  124   HG22  VAL  16          HG22      VAL  16  47.366   5.548   0.663
  125   HG23  VAL  16          HG23      VAL  16  47.011   4.221   1.769
  126    H    GLY  17           HN       GLY  17  46.555   5.910  -1.818
  127    HA2  GLY  17           HA1      GLY  17  44.391   4.332  -2.563
  128    HA3  GLY  17           HA2      GLY  17  44.601   6.020  -3.010
  129    H    ARG  18           HN       ARG  18  46.234   6.352  -4.848
  130    HA   ARG  18           HA       ARG  18  45.335   4.774  -7.094
  131    HB2  ARG  18           HB2      ARG  18  47.515   6.869  -7.108
  132    HB3  ARG  18           HB1      ARG  18  46.495   6.351  -8.450
  133    HG2  ARG  18           HG2      ARG  18  45.545   7.798  -5.957
  134    HG3  ARG  18           HG1      ARG  18  45.721   8.511  -7.559
  135    HD2  ARG  18           HD2      ARG  18  44.101   6.645  -8.353
  136    HD3  ARG  18           HD1      ARG  18  43.727   6.437  -6.640
  137    HE   ARG  18           HE       ARG  18  42.513   8.452  -6.730
  138   HH11  ARG  18          HH11      ARG  18  44.280  10.515  -7.414
  139   HH12  ARG  18          HH12      ARG  18  43.919  10.925  -9.057
  140   HH21  ARG  18          HH21      ARG  18  42.222   7.971  -9.701
  141   HH22  ARG  18          HH22      ARG  18  42.752   9.486 -10.352
  142    H    ALA  19           HN       ALA  19  48.677   5.702  -6.286
  143    HA   ALA  19           HA       ALA  19  49.834   3.502  -7.623
  144    HB1  ALA  19           HB1      ALA  19  51.138   5.477  -7.225
  145    HB2  ALA  19           HB2      ALA  19  51.894   4.147  -6.347
  146    HB3  ALA  19           HB3      ALA  19  50.917   5.333  -5.481
  147    H    ALA  20           HN       ALA  20  51.648   2.333  -5.989
  148    HA   ALA  20           HA       ALA  20  50.489   1.300  -3.573
  149    HB1  ALA  20           HB1      ALA  20  50.324  -1.050  -4.391
  150    HB2  ALA  20           HB2      ALA  20  50.547  -0.448  -6.034
  151    HB3  ALA  20           HB3      ALA  20  49.127   0.031  -5.105
  152    H    LEU  21           HN       LEU  21  52.658   0.179  -6.184
  153    HA   LEU  21           HA       LEU  21  54.590  -0.886  -4.379
  154    HB2  LEU  21           HB2      LEU  21  55.158  -0.050  -7.226
  155    HB3  LEU  21           HB1      LEU  21  55.893  -1.359  -6.301
  156    HG   LEU  21           HG       LEU  21  53.024  -1.236  -7.279
  157   HD11  LEU  21          HD11      LEU  21  54.814  -1.762  -8.966
  158   HD12  LEU  21          HD12      LEU  21  53.666  -3.077  -8.716
  159   HD13  LEU  21          HD13      LEU  21  55.267  -3.151  -7.980
  160   HD21  LEU  21          HD21      LEU  21  53.036  -3.654  -6.390
  161   HD22  LEU  21          HD22      LEU  21  52.955  -2.376  -5.182
  162   HD23  LEU  21          HD23      LEU  21  54.484  -3.199  -5.490
  163    H    THR  22           HN       THR  22  55.026   0.799  -2.897
  164    HA   THR  22           HA       THR  22  57.188   2.529  -3.699
  165    HB   THR  22           HB       THR  22  54.667   3.868  -2.678
  166    HG1  THR  22           HG1      THR  22  54.283   4.467  -4.728
  167   HG21  THR  22          HG21      THR  22  55.926   5.920  -3.372
  168   HG22  THR  22          HG22      THR  22  57.325   4.899  -3.704
  169   HG23  THR  22          HG23      THR  22  56.702   5.034  -2.060
  170    H    HIS  23           HN       HIS  23  55.076   1.129  -1.361
  171    HA   HIS  23           HA       HIS  23  55.803   2.316   1.022
  172    HB2  HIS  23           HB2      HIS  23  55.360   0.110   2.073
  173    HB3  HIS  23           HB1      HIS  23  54.115   0.562   0.909
  174    HD1  HIS  23           HD1      HIS  23  53.812  -0.922  -1.129
  175    HD2  HIS  23           HD2      HIS  23  57.146  -1.970   1.138
  176    HE1  HIS  23           HE1      HIS  23  54.685  -3.092  -2.101
  177    H    TYR  24           HN       TYR  24  57.522   2.216   2.405
  178    HA   TYR  24           HA       TYR  24  59.617   0.290   2.203
  179    HB2  TYR  24           HB2      TYR  24  60.144   1.621   0.190
  180    HB3  TYR  24           HB1      TYR  24  60.245   3.073   1.188
  181    HD1  TYR  24           HD1      TYR  24  61.722  -0.319   0.653
  182    HD2  TYR  24           HD2      TYR  24  62.225   3.575   2.447
  183    HE1  TYR  24           HE1      TYR  24  64.086  -0.879   1.208
  184    HE2  TYR  24           HE2      TYR  24  64.589   3.015   3.001
  185    HH   TYR  24           HH       TYR  24  65.897  -0.224   2.463
  186    H    LEU  25           HN       LEU  25  57.939   2.725   3.718
  187    HA   LEU  25           HA       LEU  25  59.913   3.708   5.535
  188    HB2  LEU  25           HB2      LEU  25  56.939   3.579   6.055
  189    HB3  LEU  25           HB1      LEU  25  58.106   4.737   6.694
  190    HG   LEU  25           HG       LEU  25  57.297   4.471   3.780
  191   HD11  LEU  25          HD11      LEU  25  56.250   6.685   4.153
  192   HD12  LEU  25          HD12      LEU  25  56.692   6.597   5.858
  193   HD13  LEU  25          HD13      LEU  25  55.533   5.448   5.186
  194   HD21  LEU  25          HD21      LEU  25  59.281   6.244   5.231
  195   HD22  LEU  25          HD22      LEU  25  58.583   6.714   3.681
  196   HD23  LEU  25          HD23      LEU  25  59.550   5.247   3.801
  Start of MODEL   26
    1    H1   GLY   1           HT1      GLY   1  48.470  17.065   7.678
    2    H2   GLY   1           HT2      GLY   1  47.900  15.596   7.041
    3    H3   GLY   1           HT3      GLY   1  49.560  15.813   7.334
    4    HA2  GLY   1           HA1      GLY   1  47.393  15.611   9.300
    5    HA3  GLY   1           HA2      GLY   1  48.705  14.473   9.031
    6    H    TRP   2           HN       TRP   2  50.537  16.850   8.578
    7    HA   TRP   2           HA       TRP   2  50.658  18.277  11.056
    8    HB2  TRP   2           HB2      TRP   2  51.385  16.054  11.852
    9    HB3  TRP   2           HB1      TRP   2  52.673  16.055  10.646
   10    HD1  TRP   2           HD1      TRP   2  51.449  18.343  13.524
   11    HE1  TRP   2           HE1      TRP   2  53.519  19.375  14.664
   12    HE3  TRP   2           HE3      TRP   2  55.141  16.377  10.572
   13    HZ2  TRP   2           HZ2      TRP   2  56.378  19.373  14.368
   14    HZ3  TRP   2           HZ3      TRP   2  57.532  16.906  11.021
   15    HH2  TRP   2           HH2      TRP   2  58.154  18.401  12.914
   16    H    GLY   3           HN       GLY   3  51.271  17.967   7.898
   17    HA2  GLY   3           HA1      GLY   3  52.696  20.342   7.614
   18    HA3  GLY   3           HA2      GLY   3  53.868  19.032   7.560
   19    H    SER   4           HN       SER   4  51.622  17.314   6.386
   20    HA   SER   4           HA       SER   4  52.360  17.584   3.673
   21    HB2  SER   4           HB2      SER   4  51.584  15.455   4.487
   22    HB3  SER   4           HB1      SER   4  50.042  16.148   4.981
   23    HG   SER   4           HG       SER   4  49.825  15.134   2.979
   24    H    PHE   5           HN       PHE   5  50.528  19.631   5.459
   25    HA   PHE   5           HA       PHE   5  48.231  20.204   4.033
   26    HB2  PHE   5           HB2      PHE   5  48.894  21.307   6.154
   27    HB3  PHE   5           HB1      PHE   5  50.112  22.227   5.270
   28    HD1  PHE   5           HD1      PHE   5  49.487  24.022   3.729
   29    HD2  PHE   5           HD2      PHE   5  46.486  21.713   5.803
   30    HE1  PHE   5           HE1      PHE   5  47.756  25.695   3.086
   31    HE2  PHE   5           HE2      PHE   5  44.755  23.387   5.160
   32    HZ   PHE   5           HZ       PHE   5  45.383  25.355   3.767
   33    H    PHE   6           HN       PHE   6  48.034  20.450   1.901
   34    HA   PHE   6           HA       PHE   6  49.340  22.571   0.520
   35    HB2  PHE   6           HB2      PHE   6  51.167  20.815   0.628
   36    HB3  PHE   6           HB1      PHE   6  50.140  19.796  -0.382
   37    HD1  PHE   6           HD1      PHE   6  52.202  22.853  -0.253
   38    HD2  PHE   6           HD2      PHE   6  49.646  20.400  -2.719
   39    HE1  PHE   6           HE1      PHE   6  53.000  24.061  -2.282
   40    HE2  PHE   6           HE2      PHE   6  50.445  21.607  -4.747
   41    HZ   PHE   6           HZ       PHE   6  52.131  23.428  -4.530
   42    H    ARG   7           HN       ARG   7  47.095  20.067   0.821
   43    HA   ARG   7           HA       ARG   7  45.398  21.130  -1.197
   44    HB2  ARG   7           HB2      ARG   7  47.007  19.906  -2.647
   45    HB3  ARG   7           HB1      ARG   7  46.617  18.420  -1.787
   46    HG2  ARG   7           HG2      ARG   7  45.329  18.522  -3.859
   47    HG3  ARG   7           HG1      ARG   7  44.235  18.664  -2.490
   48    HD2  ARG   7           HD2      ARG   7  43.806  20.933  -2.903
   49    HD3  ARG   7           HD1      ARG   7  45.336  21.173  -3.751
   50    HE   ARG   7           HE       ARG   7  43.717  19.331  -5.228
   51   HH11  ARG   7          HH11      ARG   7  43.346  20.239  -7.321
   52   HH12  ARG   7          HH12      ARG   7  42.809  21.883  -7.410
   53   HH21  ARG   7          HH21      ARG   7  43.288  22.500  -4.031
   54   HH22  ARG   7          HH22      ARG   7  42.777  23.164  -5.547
   55    H    ARG   8           HN       ARG   8  46.236  18.323   0.790
   56    HA   ARG   8           HA       ARG   8  43.698  18.347   2.101
   57    HB2  ARG   8           HB2      ARG   8  42.974  17.313   0.002
   58    HB3  ARG   8           HB1      ARG   8  44.229  16.086   0.158
   59    HG2  ARG   8           HG2      ARG   8  43.212  15.183   2.146
   60    HG3  ARG   8           HG1      ARG   8  42.085  16.537   2.249
   61    HD2  ARG   8           HD2      ARG   8  41.060  15.847   0.111
   62    HD3  ARG   8           HD1      ARG   8  42.181  14.489   0.012
   63    HE   ARG   8           HE       ARG   8  40.918  14.205   2.488
   64   HH11  ARG   8          HH11      ARG   8  38.373  14.857   2.071
   65   HH12  ARG   8          HH12      ARG   8  37.670  13.712   0.977
   66   HH21  ARG   8          HH21      ARG   8  40.721  12.541  -0.181
   67   HH22  ARG   8          HH22      ARG   8  38.999  12.402  -0.298
   68    H    ALA   9           HN       ALA   9  45.392  15.364   1.335
   69    HA   ALA   9           HA       ALA   9  47.192  15.414   3.538
   70    HB1  ALA   9           HB1      ALA   9  46.101  13.909   5.049
   71    HB2  ALA   9           HB2      ALA   9  44.757  13.674   3.929
   72    HB3  ALA   9           HB3      ALA   9  44.982  15.233   4.723
   73    H    ALA  10           HN       ALA  10  46.259  14.345   0.652
   74    HA   ALA  10           HA       ALA  10  48.244  12.285   0.542
   75    HB1  ALA  10           HB1      ALA  10  46.654  10.472  -0.148
   76    HB2  ALA  10           HB2      ALA  10  45.334  11.492   0.425
   77    HB3  ALA  10           HB3      ALA  10  46.558  10.915   1.556
   78    H    HIS  11           HN       HIS  11  45.450  13.850  -0.941
   79    HA   HIS  11           HA       HIS  11  45.801  13.082  -3.594
   80    HB2  HIS  11           HB2      HIS  11  44.825  15.706  -2.448
   81    HB3  HIS  11           HB1      HIS  11  44.698  15.268  -4.151
   82    HD1  HIS  11           HD1      HIS  11  44.296  12.463  -1.787
   83    HD2  HIS  11           HD2      HIS  11  41.792  15.239  -3.628
   84    HE1  HIS  11           HE1      HIS  11  41.940  11.561  -1.563
   85    H    VAL  12           HN       VAL  12  47.964  14.737  -1.648
   86    HA   VAL  12           HA       VAL  12  49.099  16.624  -3.398
   87    HB   VAL  12           HB       VAL  12  49.664  16.545  -0.999
   88   HG11  VAL  12          HG11      VAL  12  51.085  14.803  -0.097
   89   HG12  VAL  12          HG12      VAL  12  51.252  14.053  -1.684
   90   HG13  VAL  12          HG13      VAL  12  49.693  14.036  -0.859
   91   HG21  VAL  12          HG21      VAL  12  52.002  17.044  -1.228
   92   HG22  VAL  12          HG22      VAL  12  51.238  17.518  -2.744
   93   HG23  VAL  12          HG23      VAL  12  52.149  16.012  -2.651
   94    H    GLY  13           HN       GLY  13  49.160  13.193  -3.423
   95    HA2  GLY  13           HA1      GLY  13  50.637  13.142  -5.885
   96    HA3  GLY  13           HA2      GLY  13  51.550  12.478  -4.537
   97    H    ARG  14           HN       ARG  14  48.304  12.002  -3.974
   98    HA   ARG  14           HA       ARG  14  47.006  10.104  -3.927
   99    HB2  ARG  14           HB2      ARG  14  48.236   9.629  -6.652
  100    HB3  ARG  14           HB1      ARG  14  46.720   8.957  -6.049
  101    HG2  ARG  14           HG2      ARG  14  45.812  11.257  -5.820
  102    HG3  ARG  14           HG1      ARG  14  47.314  11.899  -6.488
  103    HD2  ARG  14           HD2      ARG  14  45.608  11.719  -8.247
  104    HD3  ARG  14           HD1      ARG  14  46.935  10.602  -8.563
  105    HE   ARG  14           HE       ARG  14  45.326   8.899  -8.454
  106   HH11  ARG  14          HH11      ARG  14  43.381  11.409  -8.009
  107   HH12  ARG  14          HH12      ARG  14  42.398  10.745  -6.746
  108   HH21  ARG  14          HH21      ARG  14  44.528   8.079  -6.129
  109   HH22  ARG  14          HH22      ARG  14  43.048   8.859  -5.681
  110    H    HIS  15           HN       HIS  15  49.772   9.965  -2.901
  111    HA   HIS  15           HA       HIS  15  50.953   7.475  -3.579
  112    HB2  HIS  15           HB2      HIS  15  51.164   9.143  -1.063
  113    HB3  HIS  15           HB1      HIS  15  52.188   7.757  -1.434
  114    HD1  HIS  15           HD1      HIS  15  53.392   7.995  -3.951
  115    HD2  HIS  15           HD2      HIS  15  52.239  11.499  -2.010
  116    HE1  HIS  15           HE1      HIS  15  54.690   9.876  -5.039
  117    H    VAL  16           HN       VAL  16  49.853   8.102  -0.292
  118    HA   VAL  16           HA       VAL  16  49.170   5.403   0.198
  119    HB   VAL  16           HB       VAL  16  48.151   7.819   1.718
  120   HG11  VAL  16          HG11      VAL  16  48.193   6.175   3.612
  121   HG12  VAL  16          HG12      VAL  16  48.589   4.909   2.449
  122   HG13  VAL  16          HG13      VAL  16  47.043   5.751   2.344
  123   HG21  VAL  16          HG21      VAL  16  50.731   6.254   2.043
  124   HG22  VAL  16          HG22      VAL  16  50.164   7.523   3.128
  125   HG23  VAL  16          HG23      VAL  16  50.604   7.915   1.466
  126    H    GLY  17           HN       GLY  17  47.369   8.098  -1.080
  127    HA2  GLY  17           HA1      GLY  17  44.752   7.231  -0.592
  128    HA3  GLY  17           HA2      GLY  17  45.248   8.267  -1.924
  129    H    ARG  18           HN       ARG  18  46.590   6.897  -3.635
  130    HA   ARG  18           HA       ARG  18  44.760   5.170  -4.886
  131    HB2  ARG  18           HB2      ARG  18  46.587   6.405  -6.048
  132    HB3  ARG  18           HB1      ARG  18  47.752   5.293  -5.329
  133    HG2  ARG  18           HG2      ARG  18  46.704   3.399  -6.444
  134    HG3  ARG  18           HG1      ARG  18  45.422   4.436  -7.071
  135    HD2  ARG  18           HD2      ARG  18  48.371   4.722  -7.722
  136    HD3  ARG  18           HD1      ARG  18  47.161   4.004  -8.784
  137    HE   ARG  18           HE       ARG  18  46.347   6.651  -7.999
  138   HH11  ARG  18          HH11      ARG  18  45.693   6.854 -10.485
  139   HH12  ARG  18          HH12      ARG  18  47.074   7.236 -11.458
  140   HH21  ARG  18          HH21      ARG  18  49.373   6.296  -9.038
  141   HH22  ARG  18          HH22      ARG  18  49.157   6.920 -10.639
  142    H    ALA  19           HN       ALA  19  48.019   4.131  -3.912
  143    HA   ALA  19           HA       ALA  19  47.096   1.997  -2.252
  144    HB1  ALA  19           HB1      ALA  19  47.966   1.349  -5.068
  145    HB2  ALA  19           HB2      ALA  19  46.421   0.966  -4.307
  146    HB3  ALA  19           HB3      ALA  19  47.894   0.160  -3.766
  147    H    ALA  20           HN       ALA  20  49.761   1.749  -4.548
  148    HA   ALA  20           HA       ALA  20  52.025   1.533  -4.198
  149    HB1  ALA  20           HB1      ALA  20  51.809   3.955  -3.952
  150    HB2  ALA  20           HB2      ALA  20  53.037   3.327  -2.854
  151    HB3  ALA  20           HB3      ALA  20  51.442   3.759  -2.239
  152    H    LEU  21           HN       LEU  21  51.473  -0.603  -3.227
  153    HA   LEU  21           HA       LEU  21  51.399  -0.895  -0.379
  154    HB2  LEU  21           HB2      LEU  21  52.175  -3.076  -2.317
  155    HB3  LEU  21           HB1      LEU  21  51.320  -3.220  -0.781
  156    HG   LEU  21           HG       LEU  21  50.260  -1.969  -3.333
  157   HD11  LEU  21          HD11      LEU  21  50.325  -4.476  -3.193
  158   HD12  LEU  21          HD12      LEU  21  48.693  -3.819  -3.317
  159   HD13  LEU  21          HD13      LEU  21  49.303  -4.376  -1.759
  160   HD21  LEU  21          HD21      LEU  21  49.356  -0.671  -1.537
  161   HD22  LEU  21          HD22      LEU  21  49.132  -2.097  -0.522
  162   HD23  LEU  21          HD23      LEU  21  48.107  -1.849  -1.935
  163    H    THR  22           HN       THR  22  53.867   0.032  -2.362
  164    HA   THR  22           HA       THR  22  56.061  -1.502  -1.451
  165    HB   THR  22           HB       THR  22  57.468   0.355  -2.247
  166    HG1  THR  22           HG1      THR  22  55.319   1.763  -1.617
  167   HG21  THR  22          HG21      THR  22  56.518  -1.184  -3.910
  168   HG22  THR  22          HG22      THR  22  56.628   0.447  -4.571
  169   HG23  THR  22          HG23      THR  22  55.073  -0.181  -4.026
  170    H    HIS  23           HN       HIS  23  54.052   0.594   0.218
  171    HA   HIS  23           HA       HIS  23  54.178   1.680   2.243
  172    HB2  HIS  23           HB2      HIS  23  54.569  -0.710   2.897
  173    HB3  HIS  23           HB1      HIS  23  56.303  -0.397   2.818
  174    HD1  HIS  23           HD1      HIS  23  57.369   0.754   4.800
  175    HD2  HIS  23           HD2      HIS  23  53.210   0.968   4.918
  176    HE1  HIS  23           HE1      HIS  23  56.764   1.697   7.072
  177    H    TYR  24           HN       TYR  24  55.959   2.598   0.081
  178    HA   TYR  24           HA       TYR  24  57.676   4.088  -0.245
  179    HB2  TYR  24           HB2      TYR  24  56.294   5.307   1.482
  180    HB3  TYR  24           HB1      TYR  24  57.382   4.664   2.711
  181    HD1  TYR  24           HD1      TYR  24  59.477   5.725   3.152
  182    HD2  TYR  24           HD2      TYR  24  57.306   6.657  -0.461
  183    HE1  TYR  24           HE1      TYR  24  61.092   7.555   2.655
  184    HE2  TYR  24           HE2      TYR  24  58.922   8.487  -0.958
  185    HH   TYR  24           HH       TYR  24  60.688   9.953   0.606
  186    H    LEU  25           HN       LEU  25  59.295   2.575  -0.694
  187    HA   LEU  25           HA       LEU  25  61.276   1.447  -0.393
  188    HB2  LEU  25           HB2      LEU  25  61.684   3.259   1.993
  189    HB3  LEU  25           HB1      LEU  25  62.917   2.509   0.981
  190    HG   LEU  25           HG       LEU  25  60.925   4.600   0.046
  191   HD11  LEU  25          HD11      LEU  25  62.893   6.084  -0.043
  192   HD12  LEU  25          HD12      LEU  25  63.899   4.793   0.613
  193   HD13  LEU  25          HD13      LEU  25  62.620   5.500   1.598
  194   HD21  LEU  25          HD21      LEU  25  62.601   4.639  -1.930
  195   HD22  LEU  25          HD22      LEU  25  61.492   3.274  -1.848
  196   HD23  LEU  25          HD23      LEU  25  63.164   3.082  -1.322
  Start of MODEL   27
    1    H1   GLY   1           HT1      GLY   1  46.611  22.587   8.414
    2    H2   GLY   1           HT2      GLY   1  47.883  22.358   9.516
    3    H3   GLY   1           HT3      GLY   1  47.406  23.928   9.077
    4    HA2  GLY   1           HA1      GLY   1  45.826  24.000  10.552
    5    HA3  GLY   1           HA2      GLY   1  45.258  22.401  10.090
    6    H    TRP   2           HN       TRP   2  48.557  22.448  10.835
    7    HA   TRP   2           HA       TRP   2  48.419  22.215  13.673
    8    HB2  TRP   2           HB2      TRP   2  47.271  20.110  13.087
    9    HB3  TRP   2           HB1      TRP   2  48.665  19.627  12.121
   10    HD1  TRP   2           HD1      TRP   2  48.212  20.986  15.727
   11    HE1  TRP   2           HE1      TRP   2  49.667  19.559  17.307
   12    HE3  TRP   2           HE3      TRP   2  50.234  17.721  12.341
   13    HZ2  TRP   2           HZ2      TRP   2  51.462  17.319  17.163
   14    HZ3  TRP   2           HZ3      TRP   2  51.816  15.948  13.085
   15    HH2  TRP   2           HH2      TRP   2  52.431  15.744  15.490
   16    H    GLY   3           HN       GLY   3  50.135  21.034  10.782
   17    HA2  GLY   3           HA1      GLY   3  52.449  22.486  11.099
   18    HA3  GLY   3           HA2      GLY   3  52.696  21.025  12.044
   19    H    SER   4           HN       SER   4  50.676  20.845   9.244
   20    HA   SER   4           HA       SER   4  52.714  20.211   7.345
   21    HB2  SER   4           HB2      SER   4  52.251  17.790   7.169
   22    HB3  SER   4           HB1      SER   4  52.954  18.211   8.728
   23    HG   SER   4           HG       SER   4  50.423  18.488   9.097
   24    H    PHE   5           HN       PHE   5  51.490  18.642   5.581
   25    HA   PHE   5           HA       PHE   5  48.701  19.093   5.237
   26    HB2  PHE   5           HB2      PHE   5  48.920  20.635   3.256
   27    HB3  PHE   5           HB1      PHE   5  49.286  21.386   4.810
   28    HD1  PHE   5           HD1      PHE   5  50.745  20.008   1.687
   29    HD2  PHE   5           HD2      PHE   5  51.541  22.093   5.381
   30    HE1  PHE   5           HE1      PHE   5  53.021  20.597   0.864
   31    HE2  PHE   5           HE2      PHE   5  53.817  22.684   4.556
   32    HZ   PHE   5           HZ       PHE   5  54.575  21.891   2.319
   33    H    PHE   6           HN       PHE   6  47.950  18.355   3.094
   34    HA   PHE   6           HA       PHE   6  49.833  16.956   1.381
   35    HB2  PHE   6           HB2      PHE   6  47.771  15.387   2.953
   36    HB3  PHE   6           HB1      PHE   6  48.835  14.743   1.704
   37    HD1  PHE   6           HD1      PHE   6  48.611  15.939   5.178
   38    HD2  PHE   6           HD2      PHE   6  51.274  14.547   2.078
   39    HE1  PHE   6           HE1      PHE   6  50.401  15.582   6.876
   40    HE2  PHE   6           HE2      PHE   6  53.064  14.190   3.776
   41    HZ   PHE   6           HZ       PHE   6  52.605  14.647   6.182
   42    H    ARG   7           HN       ARG   7  46.367  16.863   2.257
   43    HA   ARG   7           HA       ARG   7  45.442  16.511  -0.388
   44    HB2  ARG   7           HB2      ARG   7  43.241  17.306   0.575
   45    HB3  ARG   7           HB1      ARG   7  43.983  15.954   1.430
   46    HG2  ARG   7           HG2      ARG   7  44.805  17.390   3.171
   47    HG3  ARG   7           HG1      ARG   7  44.384  18.840   2.258
   48    HD2  ARG   7           HD2      ARG   7  42.705  18.439   3.993
   49    HD3  ARG   7           HD1      ARG   7  41.985  18.205   2.401
   50    HE   ARG   7           HE       ARG   7  43.012  15.721   3.497
   51   HH11  ARG   7          HH11      ARG   7  40.997  14.545   2.591
   52   HH12  ARG   7          HH12      ARG   7  39.556  14.898   3.487
   53   HH21  ARG   7          HH21      ARG   7  40.904  17.672   5.073
   54   HH22  ARG   7          HH22      ARG   7  39.504  16.667   4.893
   55    H    ARG   8           HN       ARG   8  46.916  19.161   1.009
   56    HA   ARG   8           HA       ARG   8  45.420  21.299  -0.133
   57    HB2  ARG   8           HB2      ARG   8  47.082  21.484   1.762
   58    HB3  ARG   8           HB1      ARG   8  48.362  21.313   0.561
   59    HG2  ARG   8           HG2      ARG   8  47.516  23.292  -0.639
   60    HG3  ARG   8           HG1      ARG   8  46.224  23.464   0.550
   61    HD2  ARG   8           HD2      ARG   8  48.022  23.634   2.331
   62    HD3  ARG   8           HD1      ARG   8  49.202  23.735   1.023
   63    HE   ARG   8           HE       ARG   8  47.134  25.685   0.612
   64   HH11  ARG   8          HH11      ARG   8  47.153  27.538   2.121
   65   HH12  ARG   8          HH12      ARG   8  48.716  28.036   2.681
   66   HH21  ARG   8          HH21      ARG   8  50.327  25.190   1.530
   67   HH22  ARG   8          HH22      ARG   8  50.512  26.707   2.346
   68    H    ALA   9           HN       ALA   9  48.673  20.129  -1.040
   69    HA   ALA   9           HA       ALA   9  48.500  21.362  -3.640
   70    HB1  ALA   9           HB1      ALA   9  50.651  21.280  -2.641
   71    HB2  ALA   9           HB2      ALA   9  50.697  20.133  -3.980
   72    HB3  ALA   9           HB3      ALA   9  50.518  19.552  -2.323
   73    H    ALA  10           HN       ALA  10  46.337  19.696  -3.419
   74    HA   ALA  10           HA       ALA  10  45.199  18.048  -4.533
   75    HB1  ALA  10           HB1      ALA  10  45.865  17.570  -6.762
   76    HB2  ALA  10           HB2      ALA  10  47.549  17.965  -6.421
   77    HB3  ALA  10           HB3      ALA  10  46.333  19.243  -6.458
   78    H    HIS  11           HN       HIS  11  46.155  16.980  -2.395
   79    HA   HIS  11           HA       HIS  11  47.155  15.165  -1.355
   80    HB2  HIS  11           HB2      HIS  11  46.382  13.017  -2.365
   81    HB3  HIS  11           HB1      HIS  11  45.096  14.206  -2.170
   82    HD1  HIS  11           HD1      HIS  11  47.050  12.359  -4.750
   83    HD2  HIS  11           HD2      HIS  11  44.278  15.467  -4.661
   84    HE1  HIS  11           HE1      HIS  11  46.202  12.630  -7.120
   85    H    VAL  12           HN       VAL  12  49.372  15.675  -1.602
   86    HA   VAL  12           HA       VAL  12  50.833  14.653  -3.914
   87    HB   VAL  12           HB       VAL  12  52.842  15.525  -2.631
   88   HG11  VAL  12          HG11      VAL  12  52.151  17.936  -2.916
   89   HG12  VAL  12          HG12      VAL  12  50.512  17.365  -3.233
   90   HG13  VAL  12          HG13      VAL  12  51.827  16.919  -4.320
   91   HG21  VAL  12          HG21      VAL  12  52.446  16.882  -0.661
   92   HG22  VAL  12          HG22      VAL  12  51.714  15.303  -0.380
   93   HG23  VAL  12          HG23      VAL  12  50.702  16.680  -0.816
   94    H    GLY  13           HN       GLY  13  49.633  12.511  -2.818
   95    HA2  GLY  13           HA1      GLY  13  51.631  10.679  -2.373
   96    HA3  GLY  13           HA2      GLY  13  51.176  11.240  -0.770
   97    H    ARG  14           HN       ARG  14  48.605  11.385  -0.613
   98    HA   ARG  14           HA       ARG  14  47.674   8.750  -0.527
   99    HB2  ARG  14           HB2      ARG  14  46.774  10.767   0.738
  100    HB3  ARG  14           HB1      ARG  14  45.896  11.187  -0.733
  101    HG2  ARG  14           HG2      ARG  14  44.902   8.856  -0.688
  102    HG3  ARG  14           HG1      ARG  14  45.621   8.657   0.910
  103    HD2  ARG  14           HD2      ARG  14  43.347   9.398   1.230
  104    HD3  ARG  14           HD1      ARG  14  44.406  10.753   1.624
  105    HE   ARG  14           HE       ARG  14  43.401  11.919  -0.149
  106   HH11  ARG  14          HH11      ARG  14  43.577  11.537  -2.601
  107   HH12  ARG  14          HH12      ARG  14  42.474  10.336  -3.184
  108   HH21  ARG  14          HH21      ARG  14  41.787   9.058  -0.034
  109   HH22  ARG  14          HH22      ARG  14  41.460   8.933  -1.729
  110    H    HIS  15           HN       HIS  15  47.610   7.528  -2.330
  111    HA   HIS  15           HA       HIS  15  46.817   8.558  -4.899
  112    HB2  HIS  15           HB2      HIS  15  48.455   6.690  -4.582
  113    HB3  HIS  15           HB1      HIS  15  47.119   5.675  -4.037
  114    HD1  HIS  15           HD1      HIS  15  45.790   7.862  -6.532
  115    HD2  HIS  15           HD2      HIS  15  48.104   4.400  -6.680
  116    HE1  HIS  15           HE1      HIS  15  45.512   6.913  -8.864
  117    H    VAL  16           HN       VAL  16  45.364   6.404  -2.483
  118    HA   VAL  16           HA       VAL  16  42.709   7.255  -3.077
  119    HB   VAL  16           HB       VAL  16  42.972   5.838  -5.060
  120   HG11  VAL  16          HG11      VAL  16  44.808   4.430  -4.135
  121   HG12  VAL  16          HG12      VAL  16  43.522   3.468  -4.863
  122   HG13  VAL  16          HG13      VAL  16  43.632   3.611  -3.108
  123   HG21  VAL  16          HG21      VAL  16  41.046   4.449  -4.754
  124   HG22  VAL  16          HG22      VAL  16  40.816   5.827  -3.678
  125   HG23  VAL  16          HG23      VAL  16  41.354   4.279  -3.026
  126    H    GLY  17           HN       GLY  17  45.048   5.432  -1.421
  127    HA2  GLY  17           HA1      GLY  17  43.425   5.266   0.941
  128    HA3  GLY  17           HA2      GLY  17  43.731   3.691   0.217
  129    H    ARG  18           HN       ARG  18  45.663   6.637   0.748
  130    HA   ARG  18           HA       ARG  18  47.732   6.955   1.679
  131    HB2  ARG  18           HB2      ARG  18  46.492   5.915   3.650
  132    HB3  ARG  18           HB1      ARG  18  47.252   4.388   3.205
  133    HG2  ARG  18           HG2      ARG  18  49.486   5.499   3.373
  134    HG3  ARG  18           HG1      ARG  18  48.678   6.960   3.943
  135    HD2  ARG  18           HD2      ARG  18  49.508   5.614   5.839
  136    HD3  ARG  18           HD1      ARG  18  47.748   5.711   5.853
  137    HE   ARG  18           HE       ARG  18  48.530   3.375   4.404
  138   HH11  ARG  18          HH11      ARG  18  49.645   4.367   7.408
  139   HH12  ARG  18          HH12      ARG  18  49.024   3.009   8.285
  140   HH21  ARG  18          HH21      ARG  18  47.219   1.762   5.599
  141   HH22  ARG  18          HH22      ARG  18  47.651   1.534   7.261
  142    H    ALA  19           HN       ALA  19  48.148   6.177  -0.709
  143    HA   ALA  19           HA       ALA  19  49.549   5.084  -2.160
  144    HB1  ALA  19           HB1      ALA  19  51.071   4.268   0.314
  145    HB2  ALA  19           HB2      ALA  19  51.183   5.872  -0.411
  146    HB3  ALA  19           HB3      ALA  19  51.696   4.453  -1.324
  147    H    ALA  20           HN       ALA  20  50.854   2.782  -2.259
  148    HA   ALA  20           HA       ALA  20  49.553   0.574  -1.005
  149    HB1  ALA  20           HB1      ALA  20  48.771   1.240  -3.844
  150    HB2  ALA  20           HB2      ALA  20  47.705   1.120  -2.444
  151    HB3  ALA  20           HB3      ALA  20  48.491  -0.324  -3.082
  152    H    LEU  21           HN       LEU  21  51.424   1.788  -3.741
  153    HA   LEU  21           HA       LEU  21  52.692  -0.695  -4.356
  154    HB2  LEU  21           HB2      LEU  21  53.855   2.033  -4.935
  155    HB3  LEU  21           HB1      LEU  21  54.030   0.545  -5.867
  156    HG   LEU  21           HG       LEU  21  51.490   2.170  -5.526
  157   HD11  LEU  21          HD11      LEU  21  51.731   2.490  -7.973
  158   HD12  LEU  21          HD12      LEU  21  53.252   1.600  -7.928
  159   HD13  LEU  21          HD13      LEU  21  53.110   3.146  -7.092
  160   HD21  LEU  21          HD21      LEU  21  50.803  -0.116  -5.633
  161   HD22  LEU  21          HD22      LEU  21  52.032  -0.509  -6.836
  162   HD23  LEU  21          HD23      LEU  21  50.646   0.487  -7.282
  163    H    THR  22           HN       THR  22  53.311  -1.427  -2.240
  164    HA   THR  22           HA       THR  22  55.219   0.037  -0.666
  165    HB   THR  22           HB       THR  22  54.498  -2.906  -0.514
  166    HG1  THR  22           HG1      THR  22  52.656  -1.777  -0.178
  167   HG21  THR  22          HG21      THR  22  55.905  -0.987   1.353
  168   HG22  THR  22          HG22      THR  22  56.489  -2.535   0.739
  169   HG23  THR  22          HG23      THR  22  55.181  -2.491   1.919
  170    H    HIS  23           HN       HIS  23  55.428  -1.921  -3.441
  171    HA   HIS  23           HA       HIS  23  57.191  -2.799  -4.622
  172    HB2  HIS  23           HB2      HIS  23  58.879  -0.940  -2.933
  173    HB3  HIS  23           HB1      HIS  23  59.289  -1.610  -4.511
  174    HD1  HIS  23           HD1      HIS  23  57.472  -0.926  -6.484
  175    HD2  HIS  23           HD2      HIS  23  57.671   1.533  -3.125
  176    HE1  HIS  23           HE1      HIS  23  56.376   1.263  -7.132
  177    H    TYR  24           HN       TYR  24  59.689  -3.566  -4.112
  178    HA   TYR  24           HA       TYR  24  60.050  -4.788  -1.544
  179    HB2  TYR  24           HB2      TYR  24  58.274  -6.243  -2.597
  180    HB3  TYR  24           HB1      TYR  24  59.452  -6.668  -3.838
  181    HD1  TYR  24           HD1      TYR  24  58.580  -6.948  -0.252
  182    HD2  TYR  24           HD2      TYR  24  61.392  -8.070  -3.329
  183    HE1  TYR  24           HE1      TYR  24  59.558  -8.663   1.267
  184    HE2  TYR  24           HE2      TYR  24  62.369  -9.787  -1.808
  185    HH   TYR  24           HH       TYR  24  61.758 -11.073   0.155
  186    H    LEU  25           HN       LEU  25  62.146  -5.441  -1.259
  187    HA   LEU  25           HA       LEU  25  64.086  -4.568  -3.143
  188    HB2  LEU  25           HB2      LEU  25  64.640  -6.505  -0.891
  189    HB3  LEU  25           HB1      LEU  25  65.709  -5.279  -1.573
  190    HG   LEU  25           HG       LEU  25  63.209  -4.793   0.074
  191   HD11  LEU  25          HD11      LEU  25  64.765  -3.842   1.692
  192   HD12  LEU  25          HD12      LEU  25  66.117  -4.111   0.594
  193   HD13  LEU  25          HD13      LEU  25  65.269  -5.485   1.302
  194   HD21  LEU  25          HD21      LEU  25  65.021  -2.902  -1.453
  195   HD22  LEU  25          HD22      LEU  25  64.016  -2.357  -0.108
  196   HD23  LEU  25          HD23      LEU  25  63.264  -3.037  -1.550
  Start of MODEL   28
    1    H1   GLY   1           HT1      GLY   1  41.577  23.698   9.053
    2    H2   GLY   1           HT2      GLY   1  42.559  23.671  10.441
    3    H3   GLY   1           HT3      GLY   1  43.261  23.822   8.901
    4    HA2  GLY   1           HA1      GLY   1  41.517  25.773  10.235
    5    HA3  GLY   1           HA2      GLY   1  43.256  25.906  10.015
    6    H    TRP   2           HN       TRP   2  43.846  25.406   7.555
    7    HA   TRP   2           HA       TRP   2  41.951  26.472   5.639
    8    HB2  TRP   2           HB2      TRP   2  44.399  28.064   6.438
    9    HB3  TRP   2           HB1      TRP   2  43.446  28.370   4.987
   10    HD1  TRP   2           HD1      TRP   2  43.482  28.909   8.705
   11    HE1  TRP   2           HE1      TRP   2  41.410  30.269   9.410
   12    HE3  TRP   2           HE3      TRP   2  40.832  28.788   4.327
   13    HZ2  TRP   2           HZ2      TRP   2  38.939  31.193   8.270
   14    HZ3  TRP   2           HZ3      TRP   2  38.619  29.916   4.158
   15    HH2  TRP   2           HH2      TRP   2  37.671  31.118   6.124
   16    H    GLY   3           HN       GLY   3  45.131  25.292   6.481
   17    HA2  GLY   3           HA1      GLY   3  45.306  23.641   4.193
   18    HA3  GLY   3           HA2      GLY   3  46.304  25.071   3.967
   19    H    SER   4           HN       SER   4  46.346  24.757   7.160
   20    HA   SER   4           HA       SER   4  48.996  23.860   7.340
   21    HB2  SER   4           HB2      SER   4  48.597  23.748   9.760
   22    HB3  SER   4           HB1      SER   4  47.900  25.215   9.079
   23    HG   SER   4           HG       SER   4  46.616  23.683  10.562
   24    H    PHE   5           HN       PHE   5  49.124  21.909   6.139
   25    HA   PHE   5           HA       PHE   5  49.075  19.633   5.819
   26    HB2  PHE   5           HB2      PHE   5  48.994  19.773   8.841
   27    HB3  PHE   5           HB1      PHE   5  49.274  18.291   7.928
   28    HD1  PHE   5           HD1      PHE   5  51.280  18.093   6.424
   29    HD2  PHE   5           HD2      PHE   5  50.730  21.431   9.103
   30    HE1  PHE   5           HE1      PHE   5  53.691  18.679   6.191
   31    HE2  PHE   5           HE2      PHE   5  53.141  22.017   8.869
   32    HZ   PHE   5           HZ       PHE   5  54.611  20.665   7.380
   33    H    PHE   6           HN       PHE   6  47.129  19.356   4.759
   34    HA   PHE   6           HA       PHE   6  45.138  17.834   6.137
   35    HB2  PHE   6           HB2      PHE   6  44.518  20.155   6.832
   36    HB3  PHE   6           HB1      PHE   6  44.279  20.556   5.131
   37    HD1  PHE   6           HD1      PHE   6  42.226  20.022   4.034
   38    HD2  PHE   6           HD2      PHE   6  43.188  18.183   7.820
   39    HE1  PHE   6           HE1      PHE   6  39.937  19.042   4.140
   40    HE2  PHE   6           HE2      PHE   6  40.899  17.204   7.925
   41    HZ   PHE   6           HZ       PHE   6  39.295  17.585   6.056
   42    H    ARG   7           HN       ARG   7  46.288  16.715   4.231
   43    HA   ARG   7           HA       ARG   7  46.182  15.817   2.119
   44    HB2  ARG   7           HB2      ARG   7  43.332  16.829   2.269
   45    HB3  ARG   7           HB1      ARG   7  43.941  15.611   1.149
   46    HG2  ARG   7           HG2      ARG   7  44.597  14.198   3.097
   47    HG3  ARG   7           HG1      ARG   7  43.870  15.393   4.172
   48    HD2  ARG   7           HD2      ARG   7  41.685  15.048   3.156
   49    HD3  ARG   7           HD1      ARG   7  42.379  13.958   1.957
   50    HE   ARG   7           HE       ARG   7  42.995  12.955   4.555
   51   HH11  ARG   7          HH11      ARG   7  40.017  14.009   3.408
   52   HH12  ARG   7          HH12      ARG   7  39.213  12.484   3.582
   53   HH21  ARG   7          HH21      ARG   7  42.113  10.746   4.357
   54   HH22  ARG   7          HH22      ARG   7  40.401  10.636   4.118
   55    H    ARG   8           HN       ARG   8  47.576  17.955   1.850
   56    HA   ARG   8           HA       ARG   8  46.500  20.101   0.347
   57    HB2  ARG   8           HB2      ARG   8  49.353  19.085   0.403
   58    HB3  ARG   8           HB1      ARG   8  48.823  20.683  -0.124
   59    HG2  ARG   8           HG2      ARG   8  47.871  21.069   2.158
   60    HG3  ARG   8           HG1      ARG   8  48.558  19.525   2.665
   61    HD2  ARG   8           HD2      ARG   8  50.816  20.395   1.918
   62    HD3  ARG   8           HD1      ARG   8  50.059  21.973   1.704
   63    HE   ARG   8           HE       ARG   8  49.457  21.045   4.329
   64   HH11  ARG   8          HH11      ARG   8  52.041  20.220   4.891
   65   HH12  ARG   8          HH12      ARG   8  52.983  21.657   5.110
   66   HH21  ARG   8          HH21      ARG   8  50.691  23.720   3.525
   67   HH22  ARG   8          HH22      ARG   8  52.218  23.638   4.337
   68    H    ALA   9           HN       ALA   9  46.672  16.943  -0.491
   69    HA   ALA   9           HA       ALA   9  46.610  15.778  -2.469
   70    HB1  ALA   9           HB1      ALA   9  44.699  17.294  -2.824
   71    HB2  ALA   9           HB2      ALA   9  45.521  16.906  -4.335
   72    HB3  ALA   9           HB3      ALA   9  45.784  18.470  -3.564
   73    H    ALA  10           HN       ALA  10  48.967  17.805  -1.763
   74    HA   ALA  10           HA       ALA  10  50.217  18.231  -4.324
   75    HB1  ALA  10           HB1      ALA  10  52.082  19.071  -3.054
   76    HB2  ALA  10           HB2      ALA  10  51.460  18.338  -1.575
   77    HB3  ALA  10           HB3      ALA  10  50.595  19.678  -2.327
   78    H    HIS  11           HN       HIS  11  51.140  16.228  -1.508
   79    HA   HIS  11           HA       HIS  11  51.686  13.913  -3.061
   80    HB2  HIS  11           HB2      HIS  11  54.206  13.964  -2.690
   81    HB3  HIS  11           HB1      HIS  11  53.591  15.059  -3.927
   82    HD1  HIS  11           HD1      HIS  11  54.028  15.319  -0.134
   83    HD2  HIS  11           HD2      HIS  11  54.663  17.568  -3.584
   84    HE1  HIS  11           HE1      HIS  11  55.065  17.505   0.616
   85    H    VAL  12           HN       VAL  12  51.485  15.662  -0.184
   86    HA   VAL  12           HA       VAL  12  52.714  13.785   1.599
   87    HB   VAL  12           HB       VAL  12  50.577  15.831   2.262
   88   HG11  VAL  12          HG11      VAL  12  51.707  15.756   4.491
   89   HG12  VAL  12          HG12      VAL  12  52.727  14.447   3.894
   90   HG13  VAL  12          HG13      VAL  12  50.985  14.211   4.040
   91   HG21  VAL  12          HG21      VAL  12  52.459  16.896   1.078
   92   HG22  VAL  12          HG22      VAL  12  53.600  16.115   2.175
   93   HG23  VAL  12          HG23      VAL  12  52.480  17.332   2.787
   94    H    GLY  13           HN       GLY  13  51.730  12.276   2.957
   95    HA2  GLY  13           HA1      GLY  13  50.141  10.782   3.691
   96    HA3  GLY  13           HA2      GLY  13  48.913  11.759   2.899
   97    H    ARG  14           HN       ARG  14  49.934  11.676   0.268
   98    HA   ARG  14           HA       ARG  14  48.815   9.253  -0.651
   99    HB2  ARG  14           HB2      ARG  14  50.645  11.162  -2.123
  100    HB3  ARG  14           HB1      ARG  14  49.595   9.953  -2.862
  101    HG2  ARG  14           HG2      ARG  14  47.621  11.070  -1.880
  102    HG3  ARG  14           HG1      ARG  14  48.674  12.289  -1.161
  103    HD2  ARG  14           HD2      ARG  14  47.801  13.210  -3.214
  104    HD3  ARG  14           HD1      ARG  14  49.501  12.827  -3.483
  105    HE   ARG  14           HE       ARG  14  48.016  10.553  -4.262
  106   HH11  ARG  14          HH11      ARG  14  46.460  13.200  -5.083
  107   HH12  ARG  14          HH12      ARG  14  46.915  13.269  -6.753
  108   HH21  ARG  14          HH21      ARG  14  49.445  10.919  -6.435
  109   HH22  ARG  14          HH22      ARG  14  48.604  11.977  -7.518
  110    H    HIS  15           HN       HIS  15  52.172  10.296  -0.207
  111    HA   HIS  15           HA       HIS  15  53.476   8.145  -1.417
  112    HB2  HIS  15           HB2      HIS  15  54.596  10.203  -0.574
  113    HB3  HIS  15           HB1      HIS  15  54.360   9.620   1.074
  114    HD1  HIS  15           HD1      HIS  15  55.087   6.699   0.858
  115    HD2  HIS  15           HD2      HIS  15  57.255   9.665  -1.112
  116    HE1  HIS  15           HE1      HIS  15  57.385   5.732   0.417
  117    H    VAL  16           HN       VAL  16  53.380   8.470   2.119
  118    HA   VAL  16           HA       VAL  16  53.553   5.615   2.469
  119    HB   VAL  16           HB       VAL  16  53.276   6.237   4.938
  120   HG11  VAL  16          HG11      VAL  16  55.490   5.911   4.043
  121   HG12  VAL  16          HG12      VAL  16  55.529   7.393   4.999
  122   HG13  VAL  16          HG13      VAL  16  55.455   7.482   3.240
  123   HG21  VAL  16          HG21      VAL  16  52.037   8.386   4.380
  124   HG22  VAL  16          HG22      VAL  16  53.580   9.052   3.849
  125   HG23  VAL  16          HG23      VAL  16  53.359   8.572   5.532
  126    H    GLY  17           HN       GLY  17  51.409   5.644   1.044
  127    HA2  GLY  17           HA1      GLY  17  49.331   4.728   2.784
  128    HA3  GLY  17           HA2      GLY  17  48.920   6.259   2.023
  129    H    ARG  18           HN       ARG  18  49.587   6.191  -0.463
  130    HA   ARG  18           HA       ARG  18  47.864   4.236  -1.647
  131    HB2  ARG  18           HB2      ARG  18  48.149   6.542  -2.538
  132    HB3  ARG  18           HB1      ARG  18  49.800   6.131  -2.998
  133    HG2  ARG  18           HG2      ARG  18  49.004   4.391  -4.499
  134    HG3  ARG  18           HG1      ARG  18  47.343   4.639  -3.960
  135    HD2  ARG  18           HD2      ARG  18  47.975   5.765  -6.163
  136    HD3  ARG  18           HD1      ARG  18  47.245   6.813  -4.946
  137    HE   ARG  18           HE       ARG  18  49.250   8.033  -4.973
  138   HH11  ARG  18          HH11      ARG  18  51.537   8.083  -4.752
  139   HH12  ARG  18          HH12      ARG  18  52.464   6.834  -5.514
  140   HH21  ARG  18          HH21      ARG  18  49.691   4.973  -6.444
  141   HH22  ARG  18          HH22      ARG  18  51.419   5.074  -6.473
  142    H    ALA  19           HN       ALA  19  51.373   4.838  -1.853
  143    HA   ALA  19           HA       ALA  19  52.059   2.700  -3.497
  144    HB1  ALA  19           HB1      ALA  19  54.297   2.934  -2.627
  145    HB2  ALA  19           HB2      ALA  19  53.695   3.775  -1.199
  146    HB3  ALA  19           HB3      ALA  19  53.581   4.537  -2.785
  147    H    ALA  20           HN       ALA  20  52.727   2.682   0.003
  148    HA   ALA  20           HA       ALA  20  52.782   0.952   1.516
  149    HB1  ALA  20           HB1      ALA  20  50.311   1.189   1.045
  150    HB2  ALA  20           HB2      ALA  20  50.818  -0.396   1.632
  151    HB3  ALA  20           HB3      ALA  20  50.476  -0.159  -0.081
  152    H    LEU  21           HN       LEU  21  51.711  -1.787   0.664
  153    HA   LEU  21           HA       LEU  21  54.261  -2.859  -0.160
  154    HB2  LEU  21           HB2      LEU  21  51.673  -4.411  -0.038
  155    HB3  LEU  21           HB1      LEU  21  53.317  -4.983   0.251
  156    HG   LEU  21           HG       LEU  21  51.727  -3.090   2.008
  157   HD11  LEU  21          HD11      LEU  21  51.951  -4.934   3.656
  158   HD12  LEU  21          HD12      LEU  21  52.762  -5.910   2.431
  159   HD13  LEU  21          HD13      LEU  21  51.074  -5.446   2.214
  160   HD21  LEU  21          HD21      LEU  21  54.005  -2.364   2.132
  161   HD22  LEU  21          HD22      LEU  21  54.609  -4.020   2.120
  162   HD23  LEU  21          HD23      LEU  21  53.766  -3.400   3.539
  163    H    THR  22           HN       THR  22  53.877  -1.289  -2.165
  164    HA   THR  22           HA       THR  22  52.212  -1.909  -4.278
  165    HB   THR  22           HB       THR  22  53.686   0.048  -4.340
  166    HG1  THR  22           HG1      THR  22  54.532  -1.640  -6.428
  167   HG21  THR  22          HG21      THR  22  55.622  -1.149  -3.241
  168   HG22  THR  22          HG22      THR  22  56.068  -0.147  -4.621
  169   HG23  THR  22          HG23      THR  22  55.958  -1.897  -4.803
  170    H    HIS  23           HN       HIS  23  52.267  -3.312  -6.003
  171    HA   HIS  23           HA       HIS  23  53.249  -5.892  -5.628
  172    HB2  HIS  23           HB2      HIS  23  52.801  -6.206  -8.056
  173    HB3  HIS  23           HB1      HIS  23  51.466  -5.419  -7.214
  174    HD1  HIS  23           HD1      HIS  23  52.321  -2.541  -7.100
  175    HD2  HIS  23           HD2      HIS  23  52.859  -4.894 -10.497
  176    HE1  HIS  23           HE1      HIS  23  52.573  -0.941  -9.048
  177    H    TYR  24           HN       TYR  24  55.139  -6.895  -6.038
  178    HA   TYR  24           HA       TYR  24  57.479  -5.341  -6.540
  179    HB2  TYR  24           HB2      TYR  24  57.410  -7.430  -5.153
  180    HB3  TYR  24           HB1      TYR  24  57.196  -8.354  -6.640
  181    HD1  TYR  24           HD1      TYR  24  59.078  -8.934  -7.995
  182    HD2  TYR  24           HD2      TYR  24  59.467  -5.903  -4.944
  183    HE1  TYR  24           HE1      TYR  24  61.541  -8.875  -8.365
  184    HE2  TYR  24           HE2      TYR  24  61.930  -5.845  -5.317
  185    HH   TYR  24           HH       TYR  24  63.508  -8.045  -7.632
  186    H    LEU  25           HN       LEU  25  58.443  -4.849  -8.411
  187    HA   LEU  25           HA       LEU  25  58.322  -6.517 -10.730
  188    HB2  LEU  25           HB2      LEU  25  56.101  -5.625 -10.989
  189    HB3  LEU  25           HB1      LEU  25  56.659  -3.988 -10.665
  190    HG   LEU  25           HG       LEU  25  57.873  -3.906 -12.753
  191   HD11  LEU  25          HD11      LEU  25  58.812  -6.077 -12.988
  192   HD12  LEU  25          HD12      LEU  25  57.669  -5.952 -14.323
  193   HD13  LEU  25          HD13      LEU  25  57.237  -6.864 -12.874
  194   HD21  LEU  25          HD21      LEU  25  56.025  -4.217 -14.359
  195   HD22  LEU  25          HD22      LEU  25  55.444  -3.480 -12.866
  196   HD23  LEU  25          HD23      LEU  25  55.158  -5.194 -13.174
  Start of MODEL   29
    1    H1   GLY   1           HT1      GLY   1  46.011  29.517   8.904
    2    H2   GLY   1           HT2      GLY   1  45.938  30.723  10.100
    3    H3   GLY   1           HT3      GLY   1  45.430  31.061   8.513
    4    HA2  GLY   1           HA1      GLY   1  43.531  30.789   9.820
    5    HA3  GLY   1           HA2      GLY   1  43.690  29.399   8.753
    6    H    TRP   2           HN       TRP   2  44.766  27.466   9.680
    7    HA   TRP   2           HA       TRP   2  44.995  27.199  12.526
    8    HB2  TRP   2           HB2      TRP   2  42.519  27.241  12.273
    9    HB3  TRP   2           HB1      TRP   2  42.634  25.838  11.208
   10    HD1  TRP   2           HD1      TRP   2  42.424  23.591  12.368
   11    HE1  TRP   2           HE1      TRP   2  42.744  22.707  14.769
   12    HE3  TRP   2           HE3      TRP   2  44.105  27.855  14.651
   13    HZ2  TRP   2           HZ2      TRP   2  43.603  23.675  17.333
   14    HZ3  TRP   2           HZ3      TRP   2  44.668  27.850  17.076
   15    HH2  TRP   2           HH2      TRP   2  44.419  25.766  18.419
   16    H    GLY   3           HN       GLY   3  45.615  26.279   9.421
   17    HA2  GLY   3           HA1      GLY   3  47.507  24.364   9.995
   18    HA3  GLY   3           HA2      GLY   3  46.017  23.470   9.734
   19    H    SER   4           HN       SER   4  45.316  25.836   7.830
   20    HA   SER   4           HA       SER   4  45.290  26.084   5.541
   21    HB2  SER   4           HB2      SER   4  47.555  27.021   6.158
   22    HB3  SER   4           HB1      SER   4  48.241  25.453   5.741
   23    HG   SER   4           HG       SER   4  48.228  26.191   3.777
   24    H    PHE   5           HN       PHE   5  44.044  24.294   4.981
   25    HA   PHE   5           HA       PHE   5  45.095  21.657   4.730
   26    HB2  PHE   5           HB2      PHE   5  42.642  22.867   3.433
   27    HB3  PHE   5           HB1      PHE   5  42.988  21.146   3.603
   28    HD1  PHE   5           HD1      PHE   5  43.080  20.089   5.873
   29    HD2  PHE   5           HD2      PHE   5  41.809  24.173   5.293
   30    HE1  PHE   5           HE1      PHE   5  42.073  20.099   8.151
   31    HE2  PHE   5           HE2      PHE   5  40.803  24.183   7.572
   32    HZ   PHE   5           HZ       PHE   5  40.891  22.130   8.982
   33    H    PHE   6           HN       PHE   6  46.496  20.981   3.250
   34    HA   PHE   6           HA       PHE   6  47.078  22.499   0.875
   35    HB2  PHE   6           HB2      PHE   6  47.985  19.716   1.656
   36    HB3  PHE   6           HB1      PHE   6  48.695  20.733   0.403
   37    HD1  PHE   6           HD1      PHE   6  49.863  22.864   1.007
   38    HD2  PHE   6           HD2      PHE   6  48.457  20.091   4.001
   39    HE1  PHE   6           HE1      PHE   6  51.308  23.970   2.709
   40    HE2  PHE   6           HE2      PHE   6  49.903  21.197   5.703
   41    HZ   PHE   6           HZ       PHE   6  51.274  23.180   5.072
   42    H    ARG   7           HN       ARG   7  44.351  21.677   1.003
   43    HA   ARG   7           HA       ARG   7  42.713  20.776  -0.326
   44    HB2  ARG   7           HB2      ARG   7  44.883  20.361  -2.388
   45    HB3  ARG   7           HB1      ARG   7  43.158  20.600  -2.663
   46    HG2  ARG   7           HG2      ARG   7  43.356  22.878  -1.654
   47    HG3  ARG   7           HG1      ARG   7  45.100  22.636  -1.535
   48    HD2  ARG   7           HD2      ARG   7  43.555  22.434  -4.134
   49    HD3  ARG   7           HD1      ARG   7  44.377  23.898  -3.596
   50    HE   ARG   7           HE       ARG   7  45.658  21.585  -4.758
   51   HH11  ARG   7          HH11      ARG   7  46.839  21.630  -2.011
   52   HH12  ARG   7          HH12      ARG   7  48.178  22.711  -2.205
   53   HH21  ARG   7          HH21      ARG   7  47.016  24.042  -5.187
   54   HH22  ARG   7          HH22      ARG   7  48.279  24.074  -4.003
   55    H    ARG   8           HN       ARG   8  45.105  19.049   0.999
   56    HA   ARG   8           HA       ARG   8  45.586  16.813   1.276
   57    HB2  ARG   8           HB2      ARG   8  42.621  16.564   0.719
   58    HB3  ARG   8           HB1      ARG   8  43.627  15.401   1.584
   59    HG2  ARG   8           HG2      ARG   8  44.112  17.084   3.312
   60    HG3  ARG   8           HG1      ARG   8  43.132  18.266   2.443
   61    HD2  ARG   8           HD2      ARG   8  41.929  17.119   4.346
   62    HD3  ARG   8           HD1      ARG   8  41.130  16.961   2.780
   63    HE   ARG   8           HE       ARG   8  42.907  14.739   3.222
   64   HH11  ARG   8          HH11      ARG   8  40.647  15.780   5.397
   65   HH12  ARG   8          HH12      ARG   8  39.585  14.421   5.250
   66   HH21  ARG   8          HH21      ARG   8  41.211  13.112   2.481
   67   HH22  ARG   8          HH22      ARG   8  39.903  12.911   3.599
   68    H    ALA   9           HN       ALA   9  45.854  17.859  -1.449
   69    HA   ALA   9           HA       ALA   9  44.843  16.241  -3.454
   70    HB1  ALA   9           HB1      ALA   9  46.772  16.882  -4.766
   71    HB2  ALA   9           HB2      ALA   9  47.659  17.322  -3.307
   72    HB3  ALA   9           HB3      ALA   9  46.248  18.260  -3.799
   73    H    ALA  10           HN       ALA  10  47.904  15.767  -1.679
   74    HA   ALA  10           HA       ALA  10  47.583  12.953  -1.476
   75    HB1  ALA  10           HB1      ALA  10  49.437  12.308  -3.012
   76    HB2  ALA  10           HB2      ALA  10  49.436  13.955  -3.641
   77    HB3  ALA  10           HB3      ALA  10  48.016  12.930  -3.850
   78    H    HIS  11           HN       HIS  11  49.131  15.866  -0.896
   79    HA   HIS  11           HA       HIS  11  51.660  15.081   0.056
   80    HB2  HIS  11           HB2      HIS  11  49.878  17.361   0.946
   81    HB3  HIS  11           HB1      HIS  11  51.585  17.192   1.358
   82    HD1  HIS  11           HD1      HIS  11  50.341  16.228  -2.046
   83    HD2  HIS  11           HD2      HIS  11  52.399  19.382  -0.259
   84    HE1  HIS  11           HE1      HIS  11  51.219  17.672  -3.933
   85    H    VAL  12           HN       VAL  12  48.589  15.554   1.807
   86    HA   VAL  12           HA       VAL  12  49.619  14.657   4.313
   87    HB   VAL  12           HB       VAL  12  46.710  14.659   3.459
   88   HG11  VAL  12          HG11      VAL  12  46.341  15.039   5.873
   89   HG12  VAL  12          HG12      VAL  12  48.083  14.978   6.147
   90   HG13  VAL  12          HG13      VAL  12  47.226  13.539   5.596
   91   HG21  VAL  12          HG21      VAL  12  46.673  16.976   4.398
   92   HG22  VAL  12          HG22      VAL  12  47.671  16.849   2.950
   93   HG23  VAL  12          HG23      VAL  12  48.430  16.916   4.540
   94    H    GLY  13           HN       GLY  13  50.687  12.688   3.448
   95    HA2  GLY  13           HA1      GLY  13  49.260  10.365   4.148
   96    HA3  GLY  13           HA2      GLY  13  49.308  10.493   2.395
   97    H    ARG  14           HN       ARG  14  51.273  10.278   1.310
   98    HA   ARG  14           HA       ARG  14  53.358   9.400   0.929
   99    HB2  ARG  14           HB2      ARG  14  54.025  10.301   3.736
  100    HB3  ARG  14           HB1      ARG  14  55.131  10.082   2.382
  101    HG2  ARG  14           HG2      ARG  14  54.001  11.909   1.161
  102    HG3  ARG  14           HG1      ARG  14  52.903  12.136   2.523
  103    HD2  ARG  14           HD2      ARG  14  55.920  12.438   2.622
  104    HD3  ARG  14           HD1      ARG  14  54.753  13.761   2.618
  105    HE   ARG  14           HE       ARG  14  54.192  11.940   4.778
  106   HH11  ARG  14          HH11      ARG  14  54.725  15.089   4.352
  107   HH12  ARG  14          HH12      ARG  14  55.844  15.324   5.654
  108   HH21  ARG  14          HH21      ARG  14  56.341  11.934   6.189
  109   HH22  ARG  14          HH22      ARG  14  56.761  13.537   6.692
  110    H    HIS  15           HN       HIS  15  54.662   7.569   1.332
  111    HA   HIS  15           HA       HIS  15  55.027   5.398   1.973
  112    HB2  HIS  15           HB2      HIS  15  53.921   6.264   4.651
  113    HB3  HIS  15           HB1      HIS  15  55.023   4.926   4.329
  114    HD1  HIS  15           HD1      HIS  15  56.979   6.365   2.402
  115    HD2  HIS  15           HD2      HIS  15  55.690   7.937   6.040
  116    HE1  HIS  15           HE1      HIS  15  58.708   8.081   3.094
  117    H    VAL  16           HN       VAL  16  52.301   6.358   1.044
  118    HA   VAL  16           HA       VAL  16  50.986   3.828   1.251
  119    HB   VAL  16           HB       VAL  16  50.363   4.824   3.469
  120   HG11  VAL  16          HG11      VAL  16  50.339   7.204   2.545
  121   HG12  VAL  16          HG12      VAL  16  48.991   6.777   3.597
  122   HG13  VAL  16          HG13      VAL  16  48.766   6.823   1.848
  123   HG21  VAL  16          HG21      VAL  16  47.976   4.342   3.246
  124   HG22  VAL  16          HG22      VAL  16  48.894   3.215   2.248
  125   HG23  VAL  16          HG23      VAL  16  48.063   4.580   1.502
  126    H    GLY  17           HN       GLY  17  50.682   7.281   0.545
  127    HA2  GLY  17           HA1      GLY  17  48.654   6.911  -1.465
  128    HA3  GLY  17           HA2      GLY  17  49.525   8.397  -1.112
  129    H    ARG  18           HN       ARG  18  52.154   7.444  -1.440
  130    HA   ARG  18           HA       ARG  18  52.601   7.850  -4.152
  131    HB2  ARG  18           HB2      ARG  18  54.310   7.964  -2.295
  132    HB3  ARG  18           HB1      ARG  18  54.380   6.203  -2.344
  133    HG2  ARG  18           HG2      ARG  18  54.978   6.322  -4.759
  134    HG3  ARG  18           HG1      ARG  18  54.996   8.082  -4.643
  135    HD2  ARG  18           HD2      ARG  18  57.273   7.291  -4.399
  136    HD3  ARG  18           HD1      ARG  18  56.725   7.876  -2.828
  137    HE   ARG  18           HE       ARG  18  56.194   5.060  -3.070
  138   HH11  ARG  18          HH11      ARG  18  57.097   5.032  -0.644
  139   HH12  ARG  18          HH12      ARG  18  58.829   4.991  -0.637
  140   HH21  ARG  18          HH21      ARG  18  59.130   6.020  -3.935
  141   HH22  ARG  18          HH22      ARG  18  59.980   5.552  -2.500
  142    H    ALA  19           HN       ALA  19  52.691   4.737  -2.398
  143    HA   ALA  19           HA       ALA  19  51.434   3.341  -4.573
  144    HB1  ALA  19           HB1      ALA  19  53.801   3.653  -5.379
  145    HB2  ALA  19           HB2      ALA  19  53.269   1.975  -5.268
  146    HB3  ALA  19           HB3      ALA  19  54.320   2.651  -4.023
  147    H    ALA  20           HN       ALA  20  53.262   0.974  -3.577
  148    HA   ALA  20           HA       ALA  20  52.379   0.579  -0.854
  149    HB1  ALA  20           HB1      ALA  20  50.296   0.058  -1.927
  150    HB2  ALA  20           HB2      ALA  20  51.039  -1.459  -1.419
  151    HB3  ALA  20           HB3      ALA  20  51.106  -0.968  -3.111
  152    H    LEU  21           HN       LEU  21  52.792  -1.869  -0.284
  153    HA   LEU  21           HA       LEU  21  55.523  -2.352  -0.572
  154    HB2  LEU  21           HB2      LEU  21  54.316  -3.351   1.251
  155    HB3  LEU  21           HB1      LEU  21  53.240  -4.204   0.149
  156    HG   LEU  21           HG       LEU  21  55.022  -5.656  -0.592
  157   HD11  LEU  21          HD11      LEU  21  56.798  -3.748   0.945
  158   HD12  LEU  21          HD12      LEU  21  56.922  -4.235  -0.746
  159   HD13  LEU  21          HD13      LEU  21  57.332  -5.377   0.531
  160   HD21  LEU  21          HD21      LEU  21  55.153  -5.281   2.418
  161   HD22  LEU  21          HD22      LEU  21  55.659  -6.729   1.547
  162   HD23  LEU  21          HD23      LEU  21  53.962  -6.250   1.550
  163    H    THR  22           HN       THR  22  56.343  -2.436  -2.612
  164    HA   THR  22           HA       THR  22  55.087  -3.830  -4.771
  165    HB   THR  22           HB       THR  22  57.998  -3.008  -4.574
  166    HG1  THR  22           HG1      THR  22  57.326  -1.045  -4.753
  167   HG21  THR  22          HG21      THR  22  57.765  -2.873  -7.050
  168   HG22  THR  22          HG22      THR  22  56.123  -3.500  -6.903
  169   HG23  THR  22          HG23      THR  22  57.496  -4.505  -6.437
  170    H    HIS  23           HN       HIS  23  55.582  -5.810  -5.671
  171    HA   HIS  23           HA       HIS  23  57.718  -7.470  -4.709
  172    HB2  HIS  23           HB2      HIS  23  56.097  -7.654  -2.825
  173    HB3  HIS  23           HB1      HIS  23  54.899  -8.279  -3.958
  174    HD1  HIS  23           HD1      HIS  23  58.162  -9.173  -2.304
  175    HD2  HIS  23           HD2      HIS  23  55.369 -10.940  -4.845
  176    HE1  HIS  23           HE1      HIS  23  58.741 -11.635  -2.402
  177    H    TYR  24           HN       TYR  24  55.461  -6.555  -6.934
  178    HA   TYR  24           HA       TYR  24  54.923  -9.012  -8.276
  179    HB2  TYR  24           HB2      TYR  24  54.854  -6.143  -9.235
  180    HB3  TYR  24           HB1      TYR  24  54.286  -7.518 -10.183
  181    HD1  TYR  24           HD1      TYR  24  52.327  -8.855  -9.442
  182    HD2  TYR  24           HD2      TYR  24  53.601  -5.322  -7.315
  183    HE1  TYR  24           HE1      TYR  24  50.140  -8.784  -8.250
  184    HE2  TYR  24           HE2      TYR  24  51.414  -5.250  -6.124
  185    HH   TYR  24           HH       TYR  24  49.652  -6.918  -5.472
  186    H    LEU  25           HN       LEU  25  55.612  -9.146 -10.707
  187    HA   LEU  25           HA       LEU  25  58.441  -9.558 -10.734
  188    HB2  LEU  25           HB2      LEU  25  56.654  -9.544 -13.170
  189    HB3  LEU  25           HB1      LEU  25  58.126 -10.478 -12.896
  190    HG   LEU  25           HG       LEU  25  55.491 -10.831 -11.431
  191   HD11  LEU  25          HD11      LEU  25  55.369 -12.952 -12.612
  192   HD12  LEU  25          HD12      LEU  25  56.949 -12.675 -13.346
  193   HD13  LEU  25          HD13      LEU  25  55.579 -11.660 -13.794
  194   HD21  LEU  25          HD21      LEU  25  56.732 -12.916 -10.562
  195   HD22  LEU  25          HD22      LEU  25  57.218 -11.371  -9.871
  196   HD23  LEU  25          HD23      LEU  25  58.212 -12.130 -11.115
  Start of MODEL   30
    1    H1   GLY   1           HT1      GLY   1  42.283  20.568  11.175
    2    H2   GLY   1           HT2      GLY   1  40.702  21.002  10.724
    3    H3   GLY   1           HT3      GLY   1  41.787  20.400   9.563
    4    HA2  GLY   1           HA1      GLY   1  41.835  18.293  10.623
    5    HA3  GLY   1           HA2      GLY   1  40.771  18.910  11.880
    6    H    TRP   2           HN       TRP   2  39.083  20.455  10.169
    7    HA   TRP   2           HA       TRP   2  37.292  18.380   9.299
    8    HB2  TRP   2           HB2      TRP   2  37.132  21.381   8.932
    9    HB3  TRP   2           HB1      TRP   2  35.816  20.237   8.665
   10    HD1  TRP   2           HD1      TRP   2  34.628  19.199  10.760
   11    HE1  TRP   2           HE1      TRP   2  34.672  19.776  13.274
   12    HE3  TRP   2           HE3      TRP   2  38.706  22.292  10.875
   13    HZ2  TRP   2           HZ2      TRP   2  36.233  21.347  15.106
   14    HZ3  TRP   2           HZ3      TRP   2  39.453  23.318  13.016
   15    HH2  TRP   2           HH2      TRP   2  38.222  22.849  15.130
   16    H    GLY   3           HN       GLY   3  39.556  20.572   7.769
   17    HA2  GLY   3           HA1      GLY   3  39.629  19.025   5.379
   18    HA3  GLY   3           HA2      GLY   3  38.739  20.522   5.135
   19    H    SER   4           HN       SER   4  40.875  21.212   7.503
   20    HA   SER   4           HA       SER   4  42.468  22.916   5.945
   21    HB2  SER   4           HB2      SER   4  43.159  21.718   8.636
   22    HB3  SER   4           HB1      SER   4  43.845  23.180   7.933
   23    HG   SER   4           HG       SER   4  41.059  22.889   8.247
   24    H    PHE   5           HN       PHE   5  44.763  22.799   5.514
   25    HA   PHE   5           HA       PHE   5  45.517  20.355   4.270
   26    HB2  PHE   5           HB2      PHE   5  47.141  22.825   4.926
   27    HB3  PHE   5           HB1      PHE   5  47.693  21.503   3.897
   28    HD1  PHE   5           HD1      PHE   5  46.576  21.027   1.725
   29    HD2  PHE   5           HD2      PHE   5  45.480  24.424   4.152
   30    HE1  PHE   5           HE1      PHE   5  45.390  22.034  -0.222
   31    HE2  PHE   5           HE2      PHE   5  44.295  25.432   2.206
   32    HZ   PHE   5           HZ       PHE   5  44.220  24.221   0.029
   33    H    PHE   6           HN       PHE   6  47.190  18.923   4.796
   34    HA   PHE   6           HA       PHE   6  48.680  19.105   7.232
   35    HB2  PHE   6           HB2      PHE   6  46.465  18.489   8.156
   36    HB3  PHE   6           HB1      PHE   6  46.457  17.052   7.134
   37    HD1  PHE   6           HD1      PHE   6  48.098  18.722  10.012
   38    HD2  PHE   6           HD2      PHE   6  47.876  15.134   7.622
   39    HE1  PHE   6           HE1      PHE   6  49.440  17.501  11.720
   40    HE2  PHE   6           HE2      PHE   6  49.219  13.914   9.331
   41    HZ   PHE   6           HZ       PHE   6  49.971  15.088  11.395
   42    H    ARG   7           HN       ARG   7  50.551  18.371   6.441
   43    HA   ARG   7           HA       ARG   7  52.084  17.083   5.320
   44    HB2  ARG   7           HB2      ARG   7  51.080  15.492   7.109
   45    HB3  ARG   7           HB1      ARG   7  50.222  14.741   5.766
   46    HG2  ARG   7           HG2      ARG   7  52.370  14.320   4.621
   47    HG3  ARG   7           HG1      ARG   7  53.232  15.097   5.948
   48    HD2  ARG   7           HD2      ARG   7  52.477  13.395   7.506
   49    HD3  ARG   7           HD1      ARG   7  51.445  12.671   6.274
   50    HE   ARG   7           HE       ARG   7  54.057  12.660   5.222
   51   HH11  ARG   7          HH11      ARG   7  55.356  11.990   7.587
   52   HH12  ARG   7          HH12      ARG   7  55.013  10.317   7.877
   53   HH21  ARG   7          HH21      ARG   7  52.296  10.230   5.723
   54   HH22  ARG   7          HH22      ARG   7  53.281   9.321   6.822
   55    H    ARG   8           HN       ARG   8  50.229  18.420   3.695
   56    HA   ARG   8           HA       ARG   8  50.558  17.014   1.244
   57    HB2  ARG   8           HB2      ARG   8  48.533  15.866   2.396
   58    HB3  ARG   8           HB1      ARG   8  47.654  17.345   2.021
   59    HG2  ARG   8           HG2      ARG   8  48.244  17.063  -0.378
   60    HG3  ARG   8           HG1      ARG   8  49.075  15.559   0.018
   61    HD2  ARG   8           HD2      ARG   8  46.971  14.612   0.875
   62    HD3  ARG   8           HD1      ARG   8  46.134  16.119   0.500
   63    HE   ARG   8           HE       ARG   8  47.413  15.152  -1.868
   64   HH11  ARG   8          HH11      ARG   8  44.508  15.352  -0.156
   65   HH12  ARG   8          HH12      ARG   8  43.664  14.187  -1.121
   66   HH21  ARG   8          HH21      ARG   8  46.476  13.258  -2.927
   67   HH22  ARG   8          HH22      ARG   8  44.779  13.003  -2.691
   68    H    ALA   9           HN       ALA   9  51.246  19.553   2.239
   69    HA   ALA   9           HA       ALA   9  49.478  21.621   1.512
   70    HB1  ALA   9           HB1      ALA   9  51.552  21.863   2.899
   71    HB2  ALA   9           HB2      ALA   9  51.386  23.071   1.625
   72    HB3  ALA   9           HB3      ALA   9  52.494  21.714   1.416
   73    H    ALA  10           HN       ALA  10  51.197  19.396  -0.394
   74    HA   ALA  10           HA       ALA  10  50.197  20.524  -2.830
   75    HB1  ALA  10           HB1      ALA  10  52.457  20.830  -3.873
   76    HB2  ALA  10           HB2      ALA  10  53.157  20.686  -2.260
   77    HB3  ALA  10           HB3      ALA  10  52.064  22.019  -2.632
   78    H    HIS  11           HN       HIS  11  49.556  18.148  -1.999
   79    HA   HIS  11           HA       HIS  11  49.622  15.882  -2.395
   80    HB2  HIS  11           HB2      HIS  11  50.953  16.852  -4.936
   81    HB3  HIS  11           HB1      HIS  11  50.250  15.254  -4.696
   82    HD1  HIS  11           HD1      HIS  11  48.988  18.801  -4.011
   83    HD2  HIS  11           HD2      HIS  11  47.704  15.231  -5.736
   84    HE1  HIS  11           HE1      HIS  11  46.632  19.213  -4.841
   85    H    VAL  12           HN       VAL  12  51.735  16.819  -0.783
   86    HA   VAL  12           HA       VAL  12  54.291  15.950  -1.597
   87    HB   VAL  12           HB       VAL  12  53.176  16.027   1.224
   88   HG11  VAL  12          HG11      VAL  12  55.235  14.789   1.184
   89   HG12  VAL  12          HG12      VAL  12  55.634  16.411   1.751
   90   HG13  VAL  12          HG13      VAL  12  55.981  15.949   0.085
   91   HG21  VAL  12          HG21      VAL  12  54.716  18.142  -0.317
   92   HG22  VAL  12          HG22      VAL  12  54.077  18.290   1.321
   93   HG23  VAL  12          HG23      VAL  12  52.973  18.181  -0.050
   94    H    GLY  13           HN       GLY  13  51.485  14.214  -0.629
   95    HA2  GLY  13           HA1      GLY  13  52.588  11.888   0.458
   96    HA3  GLY  13           HA2      GLY  13  51.055  11.976  -0.399
   97    H    ARG  14           HN       ARG  14  52.997  13.142  -2.628
   98    HA   ARG  14           HA       ARG  14  52.975  10.912  -4.305
   99    HB2  ARG  14           HB2      ARG  14  54.607  12.171  -5.681
  100    HB3  ARG  14           HB1      ARG  14  53.262  13.184  -5.154
  101    HG2  ARG  14           HG2      ARG  14  54.687  13.946  -3.223
  102    HG3  ARG  14           HG1      ARG  14  56.038  13.069  -3.945
  103    HD2  ARG  14           HD2      ARG  14  54.529  15.418  -5.107
  104    HD3  ARG  14           HD1      ARG  14  56.242  15.330  -4.699
  105    HE   ARG  14           HE       ARG  14  55.734  13.313  -6.618
  106   HH11  ARG  14          HH11      ARG  14  56.628  13.740  -8.669
  107   HH12  ARG  14          HH12      ARG  14  56.571  15.356  -9.289
  108   HH21  ARG  14          HH21      ARG  14  55.234  16.704  -6.387
  109   HH22  ARG  14          HH22      ARG  14  55.781  17.035  -7.997
  110    H    HIS  15           HN       HIS  15  55.417  10.489  -5.371
  111    HA   HIS  15           HA       HIS  15  57.262   9.141  -5.161
  112    HB2  HIS  15           HB2      HIS  15  58.154  11.167  -4.075
  113    HB3  HIS  15           HB1      HIS  15  57.542  10.600  -2.522
  114    HD1  HIS  15           HD1      HIS  15  59.047   8.209  -4.995
  115    HD2  HIS  15           HD2      HIS  15  60.106  10.086  -1.428
  116    HE1  HIS  15           HE1      HIS  15  61.208   7.131  -4.231
  117    H    VAL  16           HN       VAL  16  56.608   9.282  -1.685
  118    HA   VAL  16           HA       VAL  16  56.847   6.490  -1.342
  119    HB   VAL  16           HB       VAL  16  55.826   6.920   0.927
  120   HG11  VAL  16          HG11      VAL  16  58.009   8.855   0.094
  121   HG12  VAL  16          HG12      VAL  16  58.266   7.150   0.465
  122   HG13  VAL  16          HG13      VAL  16  57.713   8.253   1.725
  123   HG21  VAL  16          HG21      VAL  16  54.347   8.791   0.163
  124   HG22  VAL  16          HG22      VAL  16  55.783   9.790  -0.061
  125   HG23  VAL  16          HG23      VAL  16  55.342   9.232   1.552
  126    H    GLY  17           HN       GLY  17  54.118   8.556  -2.053
  127    HA2  GLY  17           HA1      GLY  17  52.109   6.589  -1.444
  128    HA3  GLY  17           HA2      GLY  17  51.863   8.119  -2.275
  129    H    ARG  18           HN       ARG  18  53.523   7.883  -4.442
  130    HA   ARG  18           HA       ARG  18  51.975   6.368  -6.236
  131    HB2  ARG  18           HB2      ARG  18  53.423   8.326  -6.835
  132    HB3  ARG  18           HB1      ARG  18  54.830   7.280  -6.644
  133    HG2  ARG  18           HG2      ARG  18  54.041   5.800  -8.399
  134    HG3  ARG  18           HG1      ARG  18  52.526   6.694  -8.523
  135    HD2  ARG  18           HD2      ARG  18  53.716   8.686  -9.279
  136    HD3  ARG  18           HD1      ARG  18  55.266   7.874  -9.059
  137    HE   ARG  18           HE       ARG  18  53.474   7.535 -11.322
  138   HH11  ARG  18          HH11      ARG  18  56.571   7.037 -10.372
  139   HH12  ARG  18          HH12      ARG  18  56.769   5.475 -11.094
  140   HH21  ARG  18          HH21      ARG  18  53.398   5.082 -11.804
  141   HH22  ARG  18          HH22      ARG  18  54.972   4.368 -11.903
  142    H    ALA  19           HN       ALA  19  54.794   5.561  -4.336
  143    HA   ALA  19           HA       ALA  19  55.438   3.156  -5.787
  144    HB1  ALA  19           HB1      ALA  19  57.029   2.755  -4.028
  145    HB2  ALA  19           HB2      ALA  19  56.240   3.937  -2.983
  146    HB3  ALA  19           HB3      ALA  19  57.081   4.469  -4.441
  147    H    ALA  20           HN       ALA  20  52.658   3.591  -4.637
  148    HA   ALA  20           HA       ALA  20  52.323   1.688  -2.528
  149    HB1  ALA  20           HB1      ALA  20  50.701   3.455  -2.839
  150    HB2  ALA  20           HB2      ALA  20  49.909   1.898  -3.082
  151    HB3  ALA  20           HB3      ALA  20  50.348   2.892  -4.472
  152    H    LEU  21           HN       LEU  21  53.480   1.073  -5.423
  153    HA   LEU  21           HA       LEU  21  51.771  -1.060  -6.345
  154    HB2  LEU  21           HB2      LEU  21  54.662  -0.677  -7.126
  155    HB3  LEU  21           HB1      LEU  21  53.342  -1.348  -8.085
  156    HG   LEU  21           HG       LEU  21  53.665   1.544  -7.227
  157   HD11  LEU  21          HD11      LEU  21  55.106   0.804  -9.106
  158   HD12  LEU  21          HD12      LEU  21  53.877   1.952  -9.638
  159   HD13  LEU  21          HD13      LEU  21  53.674   0.231  -9.962
  160   HD21  LEU  21          HD21      LEU  21  51.314   1.094  -7.187
  161   HD22  LEU  21          HD22      LEU  21  51.408   0.085  -8.631
  162   HD23  LEU  21          HD23      LEU  21  51.624   1.831  -8.759
  163    H    THR  22           HN       THR  22  53.288  -0.956  -3.578
  164    HA   THR  22           HA       THR  22  54.987  -3.248  -3.583
  165    HB   THR  22           HB       THR  22  54.711  -3.164  -1.092
  166    HG1  THR  22           HG1      THR  22  52.745  -1.348  -1.896
  167   HG21  THR  22          HG21      THR  22  55.182  -0.419  -2.270
  168   HG22  THR  22          HG22      THR  22  56.354  -1.731  -2.390
  169   HG23  THR  22          HG23      THR  22  55.897  -1.098  -0.809
  170    H    HIS  23           HN       HIS  23  54.213  -4.875  -1.584
  171    HA   HIS  23           HA       HIS  23  52.368  -6.618  -2.823
  172    HB2  HIS  23           HB2      HIS  23  53.387  -6.534   0.026
  173    HB3  HIS  23           HB1      HIS  23  52.466  -7.869  -0.667
  174    HD1  HIS  23           HD1      HIS  23  54.997  -6.038  -2.741
  175    HD2  HIS  23           HD2      HIS  23  54.689  -9.644  -0.673
  176    HE1  HIS  23           HE1      HIS  23  57.006  -7.425  -3.415
  177    H    TYR  24           HN       TYR  24  50.300  -7.340  -1.999
  178    HA   TYR  24           HA       TYR  24  48.434  -5.307  -1.628
  179    HB2  TYR  24           HB2      TYR  24  48.124  -8.156  -0.662
  180    HB3  TYR  24           HB1      TYR  24  46.841  -7.041  -1.130
  181    HD1  TYR  24           HD1      TYR  24  46.413  -6.500  -3.482
  182    HD2  TYR  24           HD2      TYR  24  49.585  -9.198  -2.347
  183    HE1  TYR  24           HE1      TYR  24  46.621  -7.251  -5.849
  184    HE2  TYR  24           HE2      TYR  24  49.794  -9.948  -4.713
  185    HH   TYR  24           HH       TYR  24  49.058  -9.686  -6.806
  186    H    LEU  25           HN       LEU  25  50.409  -6.999   0.692
  187    HA   LEU  25           HA       LEU  25  48.922  -6.270   3.022
  188    HB2  LEU  25           HB2      LEU  25  51.884  -6.867   2.957
  189    HB3  LEU  25           HB1      LEU  25  50.735  -7.164   4.262
  190    HG   LEU  25           HG       LEU  25  50.792  -8.565   1.570
  191   HD11  LEU  25          HD11      LEU  25  52.565  -9.283   3.122
  192   HD12  LEU  25          HD12      LEU  25  51.352 -10.549   2.936
  193   HD13  LEU  25          HD13      LEU  25  51.363  -9.544   4.385
  194   HD21  LEU  25          HD21      LEU  25  49.026 -10.025   2.752
  195   HD22  LEU  25          HD22      LEU  25  48.495  -8.435   2.212
  196   HD23  LEU  25          HD23      LEU  25  48.874  -8.706   3.913
  Start of MODEL   31
    1    H1   GLY   1           HT1      GLY   1  49.702  19.540  10.054
    2    H2   GLY   1           HT2      GLY   1  49.472  19.883  11.702
    3    H3   GLY   1           HT3      GLY   1  48.417  20.533  10.539
    4    HA2  GLY   1           HA1      GLY   1  47.514  18.655  11.793
    5    HA3  GLY   1           HA2      GLY   1  47.509  18.471  10.045
    6    H    TRP   2           HN       TRP   2  50.055  17.756   9.465
    7    HA   TRP   2           HA       TRP   2  51.103  15.732  11.190
    8    HB2  TRP   2           HB2      TRP   2  50.570  13.796   9.724
    9    HB3  TRP   2           HB1      TRP   2  49.134  14.494  10.473
   10    HD1  TRP   2           HD1      TRP   2  47.408  15.737   8.937
   11    HE1  TRP   2           HE1      TRP   2  47.090  15.845   6.380
   12    HE3  TRP   2           HE3      TRP   2  51.892  13.792   7.418
   13    HZ2  TRP   2           HZ2      TRP   2  48.547  15.193   3.991
   14    HZ3  TRP   2           HZ3      TRP   2  52.407  13.544   4.994
   15    HH2  TRP   2           HH2      TRP   2  50.739  14.242   3.280
   16    H    GLY   3           HN       GLY   3  50.893  17.288   8.077
   17    HA2  GLY   3           HA1      GLY   3  53.710  17.406   7.780
   18    HA3  GLY   3           HA2      GLY   3  53.044  16.160   6.732
   19    H    SER   4           HN       SER   4  52.138  19.480   7.687
   20    HA   SER   4           HA       SER   4  51.368  21.249   6.432
   21    HB2  SER   4           HB2      SER   4  53.231  20.175   4.310
   22    HB3  SER   4           HB1      SER   4  52.718  21.843   4.546
   23    HG   SER   4           HG       SER   4  53.741  21.652   6.668
   24    H    PHE   5           HN       PHE   5  51.295  21.283   3.486
   25    HA   PHE   5           HA       PHE   5  49.426  19.192   2.707
   26    HB2  PHE   5           HB2      PHE   5  48.479  22.066   2.727
   27    HB3  PHE   5           HB1      PHE   5  47.550  20.632   2.289
   28    HD1  PHE   5           HD1      PHE   5  48.932  22.626   5.059
   29    HD2  PHE   5           HD2      PHE   5  46.814  19.013   4.011
   30    HE1  PHE   5           HE1      PHE   5  48.256  22.332   7.438
   31    HE2  PHE   5           HE2      PHE   5  46.138  18.720   6.392
   32    HZ   PHE   5           HZ       PHE   5  46.794  20.422   8.090
   33    H    PHE   6           HN       PHE   6  48.453  19.930   0.447
   34    HA   PHE   6           HA       PHE   6  50.125  21.615  -1.163
   35    HB2  PHE   6           HB2      PHE   6  51.557  19.563  -0.867
   36    HB3  PHE   6           HB1      PHE   6  50.304  18.642  -1.697
   37    HD1  PHE   6           HD1      PHE   6  49.975  18.823  -4.093
   38    HD2  PHE   6           HD2      PHE   6  52.782  21.390  -2.053
   39    HE1  PHE   6           HE1      PHE   6  50.901  19.555  -6.287
   40    HE2  PHE   6           HE2      PHE   6  53.707  22.123  -4.247
   41    HZ   PHE   6           HZ       PHE   6  52.798  21.170  -6.363
   42    H    ARG   7           HN       ARG   7  47.308  20.144  -0.461
   43    HA   ARG   7           HA       ARG   7  46.005  21.061  -2.833
   44    HB2  ARG   7           HB2      ARG   7  46.972  18.937  -3.687
   45    HB3  ARG   7           HB1      ARG   7  46.104  18.063  -2.424
   46    HG2  ARG   7           HG2      ARG   7  43.966  18.782  -3.308
   47    HG3  ARG   7           HG1      ARG   7  44.758  19.841  -4.475
   48    HD2  ARG   7           HD2      ARG   7  45.734  17.938  -5.623
   49    HD3  ARG   7           HD1      ARG   7  45.121  16.833  -4.392
   50    HE   ARG   7           HE       ARG   7  43.112  16.813  -5.604
   51   HH11  ARG   7          HH11      ARG   7  44.802  18.557  -7.650
   52   HH12  ARG   7          HH12      ARG   7  43.620  19.771  -8.006
   53   HH21  ARG   7          HH21      ARG   7  41.558  18.918  -5.353
   54   HH22  ARG   7          HH22      ARG   7  41.783  19.975  -6.707
   55    H    ARG   8           HN       ARG   8  45.602  18.525  -0.348
   56    HA   ARG   8           HA       ARG   8  43.614  19.991   1.079
   57    HB2  ARG   8           HB2      ARG   8  41.684  18.546   0.585
   58    HB3  ARG   8           HB1      ARG   8  42.239  19.380  -0.867
   59    HG2  ARG   8           HG2      ARG   8  43.590  17.328  -1.435
   60    HG3  ARG   8           HG1      ARG   8  42.804  16.507  -0.085
   61    HD2  ARG   8           HD2      ARG   8  41.472  17.662  -2.547
   62    HD3  ARG   8           HD1      ARG   8  41.560  15.964  -2.079
   63    HE   ARG   8           HE       ARG   8  40.286  17.206   0.059
   64   HH11  ARG   8          HH11      ARG   8  39.493  18.841  -2.539
   65   HH12  ARG   8          HH12      ARG   8  37.926  18.159  -2.820
   66   HH21  ARG   8          HH21      ARG   8  38.401  15.503  -0.641
   67   HH22  ARG   8          HH22      ARG   8  37.308  16.268  -1.745
   68    H    ALA   9           HN       ALA   9  45.217  16.968   0.337
   69    HA   ALA   9           HA       ALA   9  45.716  16.396   3.076
   70    HB1  ALA   9           HB1      ALA   9  43.558  14.796   1.701
   71    HB2  ALA   9           HB2      ALA   9  43.416  15.733   3.190
   72    HB3  ALA   9           HB3      ALA   9  44.393  14.264   3.161
   73    H    ALA  10           HN       ALA  10  44.940  13.724   1.010
   74    HA   ALA  10           HA       ALA  10  47.454  12.548   1.113
   75    HB1  ALA  10           HB1      ALA  10  46.696  11.193  -0.818
   76    HB2  ALA  10           HB2      ALA  10  45.321  12.281  -1.009
   77    HB3  ALA  10           HB3      ALA  10  45.479  11.305   0.452
   78    H    HIS  11           HN       HIS  11  49.097  12.286  -0.500
   79    HA   HIS  11           HA       HIS  11  49.930  14.732  -1.680
   80    HB2  HIS  11           HB2      HIS  11  50.919  11.900  -2.093
   81    HB3  HIS  11           HB1      HIS  11  51.735  13.347  -2.687
   82    HD1  HIS  11           HD1      HIS  11  53.603  13.964  -1.171
   83    HD2  HIS  11           HD2      HIS  11  50.393  12.365   0.951
   84    HE1  HIS  11           HE1      HIS  11  54.248  14.052   1.276
   85    H    VAL  12           HN       VAL  12  48.231  15.381  -3.067
   86    HA   VAL  12           HA       VAL  12  47.139  15.581  -5.074
   87    HB   VAL  12           HB       VAL  12  49.376  13.835  -6.149
   88   HG11  VAL  12          HG11      VAL  12  47.459  15.802  -7.430
   89   HG12  VAL  12          HG12      VAL  12  47.550  14.066  -7.727
   90   HG13  VAL  12          HG13      VAL  12  48.864  15.120  -8.249
   91   HG21  VAL  12          HG21      VAL  12  49.181  16.834  -5.738
   92   HG22  VAL  12          HG22      VAL  12  50.421  16.052  -6.718
   93   HG23  VAL  12          HG23      VAL  12  50.339  15.737  -4.985
   94    H    GLY  13           HN       GLY  13  48.475  12.338  -5.643
   95    HA2  GLY  13           HA1      GLY  13  45.979  11.013  -5.068
   96    HA3  GLY  13           HA2      GLY  13  46.320  11.152  -6.788
   97    H    ARG  14           HN       ARG  14  48.466  10.560  -4.016
   98    HA   ARG  14           HA       ARG  14  48.886   7.792  -4.736
   99    HB2  ARG  14           HB2      ARG  14  51.322   8.075  -5.186
  100    HB3  ARG  14           HB1      ARG  14  50.306   8.813  -6.423
  101    HG2  ARG  14           HG2      ARG  14  50.566  11.011  -5.311
  102    HG3  ARG  14           HG1      ARG  14  51.620  10.266  -4.108
  103    HD2  ARG  14           HD2      ARG  14  52.975  11.324  -5.854
  104    HD3  ARG  14           HD1      ARG  14  53.167   9.572  -5.926
  105    HE   ARG  14           HE       ARG  14  51.050  10.276  -7.679
  106   HH11  ARG  14          HH11      ARG  14  51.532  10.118  -9.892
  107   HH12  ARG  14          HH12      ARG  14  53.129  10.510 -10.439
  108   HH21  ARG  14          HH21      ARG  14  54.374  11.049  -7.248
  109   HH22  ARG  14          HH22      ARG  14  54.738  11.039  -8.942
  110    H    HIS  15           HN       HIS  15  51.329   7.386  -3.498
  111    HA   HIS  15           HA       HIS  15  52.210   7.003  -1.414
  112    HB2  HIS  15           HB2      HIS  15  52.618   9.476  -1.627
  113    HB3  HIS  15           HB1      HIS  15  51.110   9.746  -0.754
  114    HD1  HIS  15           HD1      HIS  15  53.368  10.825   0.753
  115    HD2  HIS  15           HD2      HIS  15  52.521   6.749   0.931
  116    HE1  HIS  15           HE1      HIS  15  54.414   9.969   2.895
  117    H    VAL  16           HN       VAL  16  50.562   8.740   0.780
  118    HA   VAL  16           HA       VAL  16  49.320   6.607   2.043
  119    HB   VAL  16           HB       VAL  16  47.964   8.315   3.262
  120   HG11  VAL  16          HG11      VAL  16  49.874   9.460   4.271
  121   HG12  VAL  16          HG12      VAL  16  50.864   9.107   2.855
  122   HG13  VAL  16          HG13      VAL  16  50.319   7.793   3.899
  123   HG21  VAL  16          HG21      VAL  16  49.229  10.150   1.205
  124   HG22  VAL  16          HG22      VAL  16  48.462  10.724   2.686
  125   HG23  VAL  16          HG23      VAL  16  47.507   9.876   1.470
  126    H    GLY  17           HN       GLY  17  48.158   8.641  -0.553
  127    HA2  GLY  17           HA1      GLY  17  45.436   8.258  -0.469
  128    HA3  GLY  17           HA2      GLY  17  46.361   8.395  -1.958
  129    H    ARG  18           HN       ARG  18  47.517   6.323  -2.612
  130    HA   ARG  18           HA       ARG  18  45.550   4.201  -2.717
  131    HB2  ARG  18           HB2      ARG  18  48.362   4.311  -3.835
  132    HB3  ARG  18           HB1      ARG  18  47.126   3.121  -4.242
  133    HG2  ARG  18           HG2      ARG  18  45.661   5.014  -5.021
  134    HG3  ARG  18           HG1      ARG  18  47.030   6.101  -4.780
  135    HD2  ARG  18           HD2      ARG  18  48.363   4.855  -6.392
  136    HD3  ARG  18           HD1      ARG  18  47.084   3.654  -6.569
  137    HE   ARG  18           HE       ARG  18  47.205   6.123  -7.989
  138   HH11  ARG  18          HH11      ARG  18  45.017   7.244  -6.727
  139   HH12  ARG  18          HH12      ARG  18  43.618   6.417  -7.327
  140   HH21  ARG  18          HH21      ARG  18  45.411   3.709  -8.540
  141   HH22  ARG  18          HH22      ARG  18  43.840   4.416  -8.353
  142    H    ALA  19           HN       ALA  19  48.989   4.319  -1.747
  143    HA   ALA  19           HA       ALA  19  50.199   3.000  -0.302
  144    HB1  ALA  19           HB1      ALA  19  49.237   2.678   1.863
  145    HB2  ALA  19           HB2      ALA  19  47.599   2.797   1.217
  146    HB3  ALA  19           HB3      ALA  19  48.639   4.221   1.254
  147    H    ALA  20           HN       ALA  20  48.441   1.753  -2.467
  148    HA   ALA  20           HA       ALA  20  47.643  -0.812  -1.473
  149    HB1  ALA  20           HB1      ALA  20  46.590   0.115  -3.448
  150    HB2  ALA  20           HB2      ALA  20  47.421  -1.380  -3.879
  151    HB3  ALA  20           HB3      ALA  20  48.142   0.179  -4.282
  152    H    LEU  21           HN       LEU  21  49.911  -0.397  -4.150
  153    HA   LEU  21           HA       LEU  21  51.415  -2.714  -3.350
  154    HB2  LEU  21           HB2      LEU  21  51.699  -0.669  -5.555
  155    HB3  LEU  21           HB1      LEU  21  52.925  -1.909  -5.293
  156    HG   LEU  21           HG       LEU  21  51.298  -3.675  -5.635
  157   HD11  LEU  21          HD11      LEU  21  49.315  -1.389  -5.666
  158   HD12  LEU  21          HD12      LEU  21  49.297  -2.841  -4.664
  159   HD13  LEU  21          HD13      LEU  21  48.933  -2.956  -6.384
  160   HD21  LEU  21          HD21      LEU  21  52.337  -2.624  -7.636
  161   HD22  LEU  21          HD22      LEU  21  50.965  -1.523  -7.750
  162   HD23  LEU  21          HD23      LEU  21  50.727  -3.255  -7.985
  163    H    THR  22           HN       THR  22  51.306  -0.054  -1.733
  164    HA   THR  22           HA       THR  22  52.733   1.189  -0.423
  165    HB   THR  22           HB       THR  22  54.448  -0.012   0.677
  166    HG1  THR  22           HG1      THR  22  55.611  -1.595  -0.292
  167   HG21  THR  22          HG21      THR  22  52.659  -2.205  -0.396
  168   HG22  THR  22          HG22      THR  22  52.142  -1.047   0.829
  169   HG23  THR  22          HG23      THR  22  53.472  -2.155   1.168
  170    H    HIS  23           HN       HIS  23  55.522   1.358  -0.357
  171    HA   HIS  23           HA       HIS  23  56.620   1.764  -2.973
  172    HB2  HIS  23           HB2      HIS  23  56.814   4.241  -2.800
  173    HB3  HIS  23           HB1      HIS  23  55.146   3.694  -2.980
  174    HD1  HIS  23           HD1      HIS  23  54.116   3.096  -0.337
  175    HD2  HIS  23           HD2      HIS  23  56.894   6.164  -0.834
  176    HE1  HIS  23           HE1      HIS  23  53.893   4.600   1.688
  177    H    TYR  24           HN       TYR  24  57.159   0.681  -0.187
  178    HA   TYR  24           HA       TYR  24  58.931   0.497   1.269
  179    HB2  TYR  24           HB2      TYR  24  60.518   1.677  -1.020
  180    HB3  TYR  24           HB1      TYR  24  61.126   0.657   0.284
  181    HD1  TYR  24           HD1      TYR  24  59.175   0.742  -2.849
  182    HD2  TYR  24           HD2      TYR  24  60.634  -1.750   0.359
  183    HE1  TYR  24           HE1      TYR  24  58.622  -1.293  -4.178
  184    HE2  TYR  24           HE2      TYR  24  60.080  -3.784  -0.970
  185    HH   TYR  24           HH       TYR  24  58.181  -4.183  -2.949
  186    H    LEU  25           HN       LEU  25  60.981   1.839   2.084
  187    HA   LEU  25           HA       LEU  25  60.740   4.692   1.990
  188    HB2  LEU  25           HB2      LEU  25  60.268   4.743   4.592
  189    HB3  LEU  25           HB1      LEU  25  58.925   4.621   3.459
  190    HG   LEU  25           HG       LEU  25  58.823   2.207   3.758
  191   HD11  LEU  25          HD11      LEU  25  60.315   1.209   5.605
  192   HD12  LEU  25          HD12      LEU  25  61.308   2.654   5.427
  193   HD13  LEU  25          HD13      LEU  25  61.093   1.557   4.062
  194   HD21  LEU  25          HD21      LEU  25  58.190   2.147   6.150
  195   HD22  LEU  25          HD22      LEU  25  57.610   3.620   5.372
  196   HD23  LEU  25          HD23      LEU  25  59.037   3.672   6.407
  Start of MODEL   32
    1    H1   GLY   1           HT1      GLY   1  41.810  13.181  -0.361
    2    H2   GLY   1           HT2      GLY   1  41.825  13.398  -2.046
    3    H3   GLY   1           HT3      GLY   1  40.828  14.367  -1.070
    4    HA2  GLY   1           HA1      GLY   1  42.530  15.594  -0.268
    5    HA3  GLY   1           HA2      GLY   1  43.705  14.342  -0.645
    6    H    TRP   2           HN       TRP   2  41.614  16.815  -2.035
    7    HA   TRP   2           HA       TRP   2  43.592  17.382  -4.092
    8    HB2  TRP   2           HB2      TRP   2  40.783  16.620  -4.923
    9    HB3  TRP   2           HB1      TRP   2  42.131  17.045  -5.977
   10    HD1  TRP   2           HD1      TRP   2  40.678  14.203  -3.962
   11    HE1  TRP   2           HE1      TRP   2  42.032  12.054  -4.402
   12    HE3  TRP   2           HE3      TRP   2  44.604  16.170  -6.594
   13    HZ2  TRP   2           HZ2      TRP   2  44.468  11.260  -5.704
   14    HZ3  TRP   2           HZ3      TRP   2  46.431  14.697  -7.426
   15    HH2  TRP   2           HH2      TRP   2  46.368  12.246  -6.983
   16    H    GLY   3           HN       GLY   3  40.089  17.970  -3.795
   17    HA2  GLY   3           HA1      GLY   3  40.398  20.766  -4.314
   18    HA3  GLY   3           HA2      GLY   3  38.910  19.945  -3.863
   19    H    SER   4           HN       SER   4  41.586  19.414  -1.795
   20    HA   SER   4           HA       SER   4  41.284  21.671  -0.084
   21    HB2  SER   4           HB2      SER   4  39.128  20.700   0.446
   22    HB3  SER   4           HB1      SER   4  39.862  19.124   0.722
   23    HG   SER   4           HG       SER   4  40.072  21.500   2.232
   24    H    PHE   5           HN       PHE   5  42.646  18.722  -1.007
   25    HA   PHE   5           HA       PHE   5  44.478  17.518  -0.306
   26    HB2  PHE   5           HB2      PHE   5  45.374  20.135   0.913
   27    HB3  PHE   5           HB1      PHE   5  46.385  18.821   0.310
   28    HD1  PHE   5           HD1      PHE   5  46.510  18.336  -2.140
   29    HD2  PHE   5           HD2      PHE   5  44.385  21.759  -0.590
   30    HE1  PHE   5           HE1      PHE   5  46.496  19.357  -4.413
   31    HE2  PHE   5           HE2      PHE   5  44.369  22.778  -2.863
   32    HZ   PHE   5           HZ       PHE   5  45.452  21.591  -4.768
   33    H    PHE   6           HN       PHE   6  46.125  17.979   1.999
   34    HA   PHE   6           HA       PHE   6  44.558  18.039   4.379
   35    HB2  PHE   6           HB2      PHE   6  43.867  15.821   3.391
   36    HB3  PHE   6           HB1      PHE   6  45.540  15.292   3.571
   37    HD1  PHE   6           HD1      PHE   6  42.501  16.412   5.398
   38    HD2  PHE   6           HD2      PHE   6  46.472  14.754   5.745
   39    HE1  PHE   6           HE1      PHE   6  42.065  15.871   7.790
   40    HE2  PHE   6           HE2      PHE   6  46.034  14.213   8.138
   41    HZ   PHE   6           HZ       PHE   6  43.867  14.861   9.183
   42    H    ARG   7           HN       ARG   7  45.962  18.982   5.677
   43    HA   ARG   7           HA       ARG   7  47.810  19.300   6.990
   44    HB2  ARG   7           HB2      ARG   7  47.892  16.690   6.859
   45    HB3  ARG   7           HB1      ARG   7  49.216  16.947   5.726
   46    HG2  ARG   7           HG2      ARG   7  50.403  18.306   7.412
   47    HG3  ARG   7           HG1      ARG   7  49.083  18.042   8.551
   48    HD2  ARG   7           HD2      ARG   7  49.480  15.590   8.400
   49    HD3  ARG   7           HD1      ARG   7  50.851  15.899   7.335
   50    HE   ARG   7           HE       ARG   7  50.876  16.149  10.206
   51   HH11  ARG   7          HH11      ARG   7  51.419  18.912   9.883
   52   HH12  ARG   7          HH12      ARG   7  53.094  19.000   9.449
   53   HH21  ARG   7          HH21      ARG   7  53.300  15.666   8.520
   54   HH22  ARG   7          HH22      ARG   7  54.159  17.162   8.676
   55    H    ARG   8           HN       ARG   8  48.635  18.255   3.679
   56    HA   ARG   8           HA       ARG   8  49.925  20.791   3.150
   57    HB2  ARG   8           HB2      ARG   8  51.714  19.548   4.338
   58    HB3  ARG   8           HB1      ARG   8  51.599  18.267   3.131
   59    HG2  ARG   8           HG2      ARG   8  52.266  19.773   1.365
   60    HG3  ARG   8           HG1      ARG   8  52.175  21.162   2.449
   61    HD2  ARG   8           HD2      ARG   8  53.969  20.102   3.851
   62    HD3  ARG   8           HD1      ARG   8  54.126  18.849   2.621
   63    HE   ARG   8           HE       ARG   8  55.252  21.485   2.453
   64   HH11  ARG   8          HH11      ARG   8  56.539  19.510   0.858
   65   HH12  ARG   8          HH12      ARG   8  55.951  19.777  -0.749
   66   HH21  ARG   8          HH21      ARG   8  53.220  21.650   0.277
   67   HH22  ARG   8          HH22      ARG   8  54.072  20.988  -1.078
   68    H    ALA   9           HN       ALA   9  50.565  17.577   1.779
   69    HA   ALA   9           HA       ALA   9  48.758  17.943  -0.433
   70    HB1  ALA   9           HB1      ALA   9  50.471  18.094  -2.176
   71    HB2  ALA   9           HB2      ALA   9  51.728  18.181  -0.941
   72    HB3  ALA   9           HB3      ALA   9  50.549  19.485  -1.094
   73    H    ALA  10           HN       ALA  10  51.538  16.261   0.952
   74    HA   ALA  10           HA       ALA  10  50.337  13.705   0.561
   75    HB1  ALA  10           HB1      ALA  10  52.726  14.322  -1.182
   76    HB2  ALA  10           HB2      ALA  10  51.066  14.178  -1.762
   77    HB3  ALA  10           HB3      ALA  10  51.881  12.779  -1.061
   78    H    HIS  11           HN       HIS  11  52.148  15.684   2.257
   79    HA   HIS  11           HA       HIS  11  54.512  14.345   2.932
   80    HB2  HIS  11           HB2      HIS  11  53.897  16.661   3.649
   81    HB3  HIS  11           HB1      HIS  11  52.766  15.957   4.806
   82    HD1  HIS  11           HD1      HIS  11  55.462  13.661   4.673
   83    HD2  HIS  11           HD2      HIS  11  55.014  17.412   6.431
   84    HE1  HIS  11           HE1      HIS  11  57.217  13.814   6.493
   85    H    VAL  12           HN       VAL  12  51.231  14.021   4.253
   86    HA   VAL  12           HA       VAL  12  51.766  12.265   6.350
   87    HB   VAL  12           HB       VAL  12  49.410  11.456   6.034
   88   HG11  VAL  12          HG11      VAL  12  48.389  13.589   6.564
   89   HG12  VAL  12          HG12      VAL  12  49.708  14.463   5.784
   90   HG13  VAL  12          HG13      VAL  12  50.003  13.563   7.273
   91   HG21  VAL  12          HG21      VAL  12  49.551  13.296   3.622
   92   HG22  VAL  12          HG22      VAL  12  48.074  12.569   4.253
   93   HG23  VAL  12          HG23      VAL  12  49.342  11.546   3.579
   94    H    GLY  13           HN       GLY  13  51.715  11.706   2.918
   95    HA2  GLY  13           HA1      GLY  13  51.273   8.973   2.773
   96    HA3  GLY  13           HA2      GLY  13  52.297   9.877   1.666
   97    H    ARG  14           HN       ARG  14  54.322  10.691   3.370
   98    HA   ARG  14           HA       ARG  14  56.100   8.575   3.333
   99    HB2  ARG  14           HB2      ARG  14  56.705  10.974   3.646
  100    HB3  ARG  14           HB1      ARG  14  56.132  10.866   5.310
  101    HG2  ARG  14           HG2      ARG  14  57.782   9.138   5.808
  102    HG3  ARG  14           HG1      ARG  14  58.308   9.119   4.125
  103    HD2  ARG  14           HD2      ARG  14  59.108  11.405   4.292
  104    HD3  ARG  14           HD1      ARG  14  58.443  11.559   5.918
  105    HE   ARG  14           HE       ARG  14  60.243   9.354   5.904
  106   HH11  ARG  14          HH11      ARG  14  60.437  11.448   7.958
  107   HH12  ARG  14          HH12      ARG  14  61.908  12.268   7.548
  108   HH21  ARG  14          HH21      ARG  14  62.038  10.984   4.330
  109   HH22  ARG  14          HH22      ARG  14  62.813  12.005   5.493
  110    H    HIS  15           HN       HIS  15  55.077   6.697   4.137
  111    HA   HIS  15           HA       HIS  15  54.208   6.580   6.912
  112    HB2  HIS  15           HB2      HIS  15  54.460   4.489   4.738
  113    HB3  HIS  15           HB1      HIS  15  53.892   4.137   6.371
  114    HD1  HIS  15           HD1      HIS  15  52.069   6.457   6.970
  115    HD2  HIS  15           HD2      HIS  15  52.098   4.523   3.281
  116    HE1  HIS  15           HE1      HIS  15  49.845   6.972   5.873
  117    H    VAL  16           HN       VAL  16  56.255   4.190   5.314
  118    HA   VAL  16           HA       VAL  16  57.824   3.803   7.680
  119    HB   VAL  16           HB       VAL  16  59.147   2.238   6.277
  120   HG11  VAL  16          HG11      VAL  16  57.222   0.734   5.669
  121   HG12  VAL  16          HG12      VAL  16  56.130   2.074   6.020
  122   HG13  VAL  16          HG13      VAL  16  57.123   1.387   7.305
  123   HG21  VAL  16          HG21      VAL  16  57.368   3.341   4.079
  124   HG22  VAL  16          HG22      VAL  16  58.342   1.879   3.915
  125   HG23  VAL  16          HG23      VAL  16  59.127   3.438   4.165
  126    H    GLY  17           HN       GLY  17  58.250   5.531   4.646
  127    HA2  GLY  17           HA1      GLY  17  60.070   7.385   5.589
  128    HA3  GLY  17           HA2      GLY  17  61.028   6.056   4.952
  129    H    ARG  18           HN       ARG  18  58.221   6.048   3.253
  130    HA   ARG  18           HA       ARG  18  58.518   8.209   1.451
  131    HB2  ARG  18           HB2      ARG  18  59.371   6.860  -0.506
  132    HB3  ARG  18           HB1      ARG  18  60.575   7.193   0.738
  133    HG2  ARG  18           HG2      ARG  18  60.271   4.975   1.695
  134    HG3  ARG  18           HG1      ARG  18  58.960   4.635   0.565
  135    HD2  ARG  18           HD2      ARG  18  61.034   3.601  -0.233
  136    HD3  ARG  18           HD1      ARG  18  60.549   4.896  -1.326
  137    HE   ARG  18           HE       ARG  18  62.281   6.077   0.542
  138   HH11  ARG  18          HH11      ARG  18  62.607   3.108  -1.075
  139   HH12  ARG  18          HH12      ARG  18  64.159   3.469  -1.754
  140   HH21  ARG  18          HH21      ARG  18  64.176   6.753  -0.647
  141   HH22  ARG  18          HH22      ARG  18  65.047   5.532  -1.513
  142    H    ALA  19           HN       ALA  19  56.503   6.610   2.859
  143    HA   ALA  19           HA       ALA  19  54.396   5.775   2.510
  144    HB1  ALA  19           HB1      ALA  19  53.200   6.582   0.622
  145    HB2  ALA  19           HB2      ALA  19  54.680   6.799  -0.312
  146    HB3  ALA  19           HB3      ALA  19  54.341   7.851   1.063
  147    H    ALA  20           HN       ALA  20  53.397   4.834  -0.102
  148    HA   ALA  20           HA       ALA  20  55.102   2.747  -1.048
  149    HB1  ALA  20           HB1      ALA  20  54.483   1.870   1.208
  150    HB2  ALA  20           HB2      ALA  20  53.962   0.839  -0.124
  151    HB3  ALA  20           HB3      ALA  20  52.797   1.877   0.697
  152    H    LEU  21           HN       LEU  21  54.542   2.808  -3.124
  153    HA   LEU  21           HA       LEU  21  51.895   3.556  -3.997
  154    HB2  LEU  21           HB2      LEU  21  54.068   2.373  -5.730
  155    HB3  LEU  21           HB1      LEU  21  52.779   3.483  -6.196
  156    HG   LEU  21           HG       LEU  21  55.122   4.117  -4.375
  157   HD11  LEU  21          HD11      LEU  21  55.567   3.945  -6.852
  158   HD12  LEU  21          HD12      LEU  21  55.873   5.544  -6.173
  159   HD13  LEU  21          HD13      LEU  21  54.399   5.244  -7.094
  160   HD21  LEU  21          HD21      LEU  21  54.153   6.494  -4.639
  161   HD22  LEU  21          HD22      LEU  21  53.283   5.405  -3.563
  162   HD23  LEU  21          HD23      LEU  21  52.673   5.707  -5.190
  163    H    THR  22           HN       THR  22  51.283   1.526  -2.483
  164    HA   THR  22           HA       THR  22  51.487  -1.086  -3.424
  165    HB   THR  22           HB       THR  22  49.310  -1.486  -2.204
  166    HG1  THR  22           HG1      THR  22  48.136   0.166  -1.690
  167   HG21  THR  22          HG21      THR  22  51.515  -1.549  -1.064
  168   HG22  THR  22          HG22      THR  22  50.239  -0.965   0.003
  169   HG23  THR  22          HG23      THR  22  51.370   0.175  -0.724
  170    H    HIS  23           HN       HIS  23  48.227   0.133  -3.478
  171    HA   HIS  23           HA       HIS  23  47.725  -1.087  -6.034
  172    HB2  HIS  23           HB2      HIS  23  45.913   0.736  -4.438
  173    HB3  HIS  23           HB1      HIS  23  45.437  -0.403  -5.698
  174    HD1  HIS  23           HD1      HIS  23  46.061  -0.160  -2.092
  175    HD2  HIS  23           HD2      HIS  23  45.949  -3.218  -4.922
  176    HE1  HIS  23           HE1      HIS  23  45.864  -2.328  -0.796
  177    H    TYR  24           HN       TYR  24  47.011  -0.032  -7.936
  178    HA   TYR  24           HA       TYR  24  48.449   2.335  -8.590
  179    HB2  TYR  24           HB2      TYR  24  46.137   1.116 -10.115
  180    HB3  TYR  24           HB1      TYR  24  47.414   2.150 -10.757
  181    HD1  TYR  24           HD1      TYR  24  46.639  -1.207  -9.367
  182    HD2  TYR  24           HD2      TYR  24  49.628   1.277 -11.246
  183    HE1  TYR  24           HE1      TYR  24  48.052  -3.218  -9.778
  184    HE2  TYR  24           HE2      TYR  24  51.041  -0.734 -11.658
  185    HH   TYR  24           HH       TYR  24  49.882  -3.892 -11.386
  186    H    LEU  25           HN       LEU  25  46.107   3.367 -10.232
  187    HA   LEU  25           HA       LEU  25  45.323   5.443  -8.450
  188    HB2  LEU  25           HB2      LEU  25  43.932   4.726 -11.035
  189    HB3  LEU  25           HB1      LEU  25  44.051   6.308 -10.267
  190    HG   LEU  25           HG       LEU  25  46.367   4.734 -11.437
  191   HD11  LEU  25          HD11      LEU  25  46.396   6.547 -13.120
  192   HD12  LEU  25          HD12      LEU  25  44.962   7.254 -12.374
  193   HD13  LEU  25          HD13      LEU  25  44.865   5.672 -13.146
  194   HD21  LEU  25          HD21      LEU  25  46.185   7.388  -9.984
  195   HD22  LEU  25          HD22      LEU  25  47.522   7.022 -11.075
  196   HD23  LEU  25          HD23      LEU  25  47.257   6.028  -9.645
  Start of MODEL   33
    1    H1   GLY   1           HT1      GLY   1  44.001  17.232   6.291
    2    H2   GLY   1           HT2      GLY   1  44.839  18.651   5.879
    3    H3   GLY   1           HT3      GLY   1  43.558  18.101   4.905
    4    HA2  GLY   1           HA1      GLY   1  43.422  19.175   7.630
    5    HA3  GLY   1           HA2      GLY   1  42.779  19.895   6.160
    6    H    TRP   2           HN       TRP   2  41.429  18.005   4.910
    7    HA   TRP   2           HA       TRP   2  39.845  16.333   6.617
    8    HB2  TRP   2           HB2      TRP   2  38.912  18.548   7.217
    9    HB3  TRP   2           HB1      TRP   2  38.525  18.827   5.519
   10    HD1  TRP   2           HD1      TRP   2  36.383  17.753   4.572
   11    HE1  TRP   2           HE1      TRP   2  34.518  16.270   5.556
   12    HE3  TRP   2           HE3      TRP   2  38.501  16.568   9.079
   13    HZ2  TRP   2           HZ2      TRP   2  33.984  14.769   7.949
   14    HZ3  TRP   2           HZ3      TRP   2  37.296  15.108  10.696
   15    HH2  TRP   2           HH2      TRP   2  35.041  14.208  10.136
   16    H    GLY   3           HN       GLY   3  39.788  18.197   3.579
   17    HA2  GLY   3           HA1      GLY   3  39.739  15.845   1.971
   18    HA3  GLY   3           HA2      GLY   3  38.144  16.579   2.065
   19    H    SER   4           HN       SER   4  40.122  19.109   2.441
   20    HA   SER   4           HA       SER   4  39.656  20.156  -0.154
   21    HB2  SER   4           HB2      SER   4  39.945  21.550   1.888
   22    HB3  SER   4           HB1      SER   4  41.649  21.104   1.920
   23    HG   SER   4           HG       SER   4  40.358  22.294  -0.309
   24    H    PHE   5           HN       PHE   5  42.807  19.524   1.407
   25    HA   PHE   5           HA       PHE   5  44.265  19.592  -1.022
   26    HB2  PHE   5           HB2      PHE   5  44.981  18.320   1.632
   27    HB3  PHE   5           HB1      PHE   5  46.110  18.638   0.314
   28    HD1  PHE   5           HD1      PHE   5  43.970  20.172   2.918
   29    HD2  PHE   5           HD2      PHE   5  46.834  20.909  -0.226
   30    HE1  PHE   5           HE1      PHE   5  44.263  22.508   3.733
   31    HE2  PHE   5           HE2      PHE   5  47.128  23.244   0.590
   32    HZ   PHE   5           HZ       PHE   5  45.773  24.070   2.511
   33    H    PHE   6           HN       PHE   6  45.867  17.394  -1.096
   34    HA   PHE   6           HA       PHE   6  44.308  14.950  -1.135
   35    HB2  PHE   6           HB2      PHE   6  45.149  16.296  -3.714
   36    HB3  PHE   6           HB1      PHE   6  44.680  14.600  -3.600
   37    HD1  PHE   6           HD1      PHE   6  42.372  14.016  -2.661
   38    HD2  PHE   6           HD2      PHE   6  43.488  18.017  -3.838
   39    HE1  PHE   6           HE1      PHE   6  39.965  14.652  -2.783
   40    HE2  PHE   6           HE2      PHE   6  41.082  18.652  -3.959
   41    HZ   PHE   6           HZ       PHE   6  39.321  16.974  -3.415
   42    H    ARG   7           HN       ARG   7  47.144  16.338  -2.815
   43    HA   ARG   7           HA       ARG   7  49.024  14.849  -1.266
   44    HB2  ARG   7           HB2      ARG   7  49.795  13.324  -3.042
   45    HB3  ARG   7           HB1      ARG   7  48.124  12.982  -2.588
   46    HG2  ARG   7           HG2      ARG   7  47.408  14.480  -4.512
   47    HG3  ARG   7           HG1      ARG   7  49.095  14.494  -5.025
   48    HD2  ARG   7           HD2      ARG   7  48.041  12.739  -6.265
   49    HD3  ARG   7           HD1      ARG   7  48.990  11.945  -5.009
   50    HE   ARG   7           HE       ARG   7  46.281  12.439  -4.119
   51   HH11  ARG   7          HH11      ARG   7  45.526  11.129  -6.570
   52   HH12  ARG   7          HH12      ARG   7  45.708   9.441  -6.228
   53   HH21  ARG   7          HH21      ARG   7  47.713   9.949  -3.445
   54   HH22  ARG   7          HH22      ARG   7  46.948   8.773  -4.460
   55    H    ARG   8           HN       ARG   8  48.212  17.389  -3.041
   56    HA   ARG   8           HA       ARG   8  50.352  17.885  -4.790
   57    HB2  ARG   8           HB2      ARG   8  48.781  19.911  -3.182
   58    HB3  ARG   8           HB1      ARG   8  49.695  20.223  -4.658
   59    HG2  ARG   8           HG2      ARG   8  48.227  18.672  -5.897
   60    HG3  ARG   8           HG1      ARG   8  47.309  18.366  -4.422
   61    HD2  ARG   8           HD2      ARG   8  47.581  21.010  -5.875
   62    HD3  ARG   8           HD1      ARG   8  46.120  20.036  -5.715
   63    HE   ARG   8           HE       ARG   8  46.938  20.574  -3.094
   64   HH11  ARG   8          HH11      ARG   8  45.373  21.990  -2.121
   65   HH12  ARG   8          HH12      ARG   8  45.051  23.496  -2.913
   66   HH21  ARG   8          HH21      ARG   8  46.834  22.676  -5.772
   67   HH22  ARG   8          HH22      ARG   8  45.878  23.884  -4.980
   68    H    ALA   9           HN       ALA   9  49.892  19.095  -1.456
   69    HA   ALA   9           HA       ALA   9  52.676  18.715  -0.818
   70    HB1  ALA   9           HB1      ALA   9  51.682  21.561  -0.934
   71    HB2  ALA   9           HB2      ALA   9  52.662  20.823  -2.201
   72    HB3  ALA   9           HB3      ALA   9  53.314  21.002  -0.572
   73    H    ALA  10           HN       ALA  10  51.024  17.490   0.607
   74    HA   ALA  10           HA       ALA  10  51.020  18.755   3.174
   75    HB1  ALA  10           HB1      ALA  10  48.588  18.736   3.529
   76    HB2  ALA  10           HB2      ALA  10  48.349  18.277   1.843
   77    HB3  ALA  10           HB3      ALA  10  49.042  19.850   2.240
   78    H    HIS  11           HN       HIS  11  51.249  16.163   1.267
   79    HA   HIS  11           HA       HIS  11  51.217  14.304   3.442
   80    HB2  HIS  11           HB2      HIS  11  48.778  14.459   2.938
   81    HB3  HIS  11           HB1      HIS  11  49.118  13.907   1.297
   82    HD1  HIS  11           HD1      HIS  11  51.453  12.240   3.419
   83    HD2  HIS  11           HD2      HIS  11  47.446  11.626   2.456
   84    HE1  HIS  11           HE1      HIS  11  50.917   9.853   4.075
   85    H    VAL  12           HN       VAL  12  50.686  14.249  -0.092
   86    HA   VAL  12           HA       VAL  12  51.800  13.157  -1.776
   87    HB   VAL  12           HB       VAL  12  54.176  13.596   0.061
   88   HG11  VAL  12          HG11      VAL  12  53.945  12.829  -2.860
   89   HG12  VAL  12          HG12      VAL  12  54.777  11.949  -1.579
   90   HG13  VAL  12          HG13      VAL  12  55.425  13.483  -2.157
   91   HG21  VAL  12          HG21      VAL  12  52.903  15.650  -0.613
   92   HG22  VAL  12          HG22      VAL  12  53.180  15.219  -2.301
   93   HG23  VAL  12          HG23      VAL  12  54.544  15.611  -1.255
   94    H    GLY  13           HN       GLY  13  53.977  11.921   0.708
   95    HA2  GLY  13           HA1      GLY  13  52.707   9.471   1.209
   96    HA3  GLY  13           HA2      GLY  13  53.789   9.259  -0.162
   97    H    ARG  14           HN       ARG  14  54.915  11.677   1.871
   98    HA   ARG  14           HA       ARG  14  57.268  10.327   2.579
   99    HB2  ARG  14           HB2      ARG  14  56.915  12.824   2.558
  100    HB3  ARG  14           HB1      ARG  14  56.042  12.649   4.081
  101    HG2  ARG  14           HG2      ARG  14  58.037  11.608   5.104
  102    HG3  ARG  14           HG1      ARG  14  58.912  11.801   3.584
  103    HD2  ARG  14           HD2      ARG  14  59.466  13.636   5.120
  104    HD3  ARG  14           HD1      ARG  14  58.587  14.254   3.721
  105    HE   ARG  14           HE       ARG  14  56.705  13.646   5.780
  106   HH11  ARG  14          HH11      ARG  14  57.182  14.946   7.851
  107   HH12  ARG  14          HH12      ARG  14  57.468  16.626   7.546
  108   HH21  ARG  14          HH21      ARG  14  57.975  16.194   4.143
  109   HH22  ARG  14          HH22      ARG  14  57.917  17.334   5.447
  110    H    HIS  15           HN       HIS  15  57.891   9.155   4.326
  111    HA   HIS  15           HA       HIS  15  56.434   9.027   6.775
  112    HB2  HIS  15           HB2      HIS  15  54.901   7.735   5.278
  113    HB3  HIS  15           HB1      HIS  15  56.214   6.592   4.990
  114    HD1  HIS  15           HD1      HIS  15  54.598   8.166   8.082
  115    HD2  HIS  15           HD2      HIS  15  56.060   4.492   6.760
  116    HE1  HIS  15           HE1      HIS  15  54.234   6.524   9.978
  117    H    VAL  16           HN       VAL  16  59.031   9.552   6.417
  118    HA   VAL  16           HA       VAL  16  61.173   8.918   6.945
  119    HB   VAL  16           HB       VAL  16  59.998   6.636   8.556
  120   HG11  VAL  16          HG11      VAL  16  62.479   7.056   8.504
  121   HG12  VAL  16          HG12      VAL  16  61.775   7.219  10.112
  122   HG13  VAL  16          HG13      VAL  16  62.176   8.658   9.175
  123   HG21  VAL  16          HG21      VAL  16  58.487   8.476   8.981
  124   HG22  VAL  16          HG22      VAL  16  59.831   9.606   9.144
  125   HG23  VAL  16          HG23      VAL  16  59.583   8.350  10.357
  126    H    GLY  17           HN       GLY  17  60.057   7.815   4.546
  127    HA2  GLY  17           HA1      GLY  17  61.970   6.125   3.634
  128    HA3  GLY  17           HA2      GLY  17  60.802   5.032   4.366
  129    H    ARG  18           HN       ARG  18  59.219   7.757   3.273
  130    HA   ARG  18           HA       ARG  18  57.693   8.062   1.581
  131    HB2  ARG  18           HB2      ARG  18  59.799   6.748  -0.147
  132    HB3  ARG  18           HB1      ARG  18  58.575   7.917  -0.645
  133    HG2  ARG  18           HG2      ARG  18  59.609   9.606   0.860
  134    HG3  ARG  18           HG1      ARG  18  60.867   8.439   1.269
  135    HD2  ARG  18           HD2      ARG  18  61.605  10.001  -0.515
  136    HD3  ARG  18           HD1      ARG  18  61.566   8.331  -1.078
  137    HE   ARG  18           HE       ARG  18  59.056   9.364  -1.728
  138   HH11  ARG  18          HH11      ARG  18  60.446  11.968  -2.097
  139   HH12  ARG  18          HH12      ARG  18  60.979  11.878  -3.742
  140   HH21  ARG  18          HH21      ARG  18  60.567   8.442  -3.966
  141   HH22  ARG  18          HH22      ARG  18  61.047   9.882  -4.801
  142    H    ALA  19           HN       ALA  19  56.422   6.330   2.698
  143    HA   ALA  19           HA       ALA  19  56.411   3.645   1.947
  144    HB1  ALA  19           HB1      ALA  19  54.108   3.599   2.758
  145    HB2  ALA  19           HB2      ALA  19  54.041   5.361   2.701
  146    HB3  ALA  19           HB3      ALA  19  55.124   4.556   3.837
  147    H    ALA  20           HN       ALA  20  54.389   2.663   0.779
  148    HA   ALA  20           HA       ALA  20  53.319   4.117  -1.443
  149    HB1  ALA  20           HB1      ALA  20  54.478   3.040  -3.237
  150    HB2  ALA  20           HB2      ALA  20  55.347   1.988  -2.118
  151    HB3  ALA  20           HB3      ALA  20  55.698   3.716  -2.158
  152    H    LEU  21           HN       LEU  21  52.187   2.607   0.616
  153    HA   LEU  21           HA       LEU  21  51.529  -0.043  -0.362
  154    HB2  LEU  21           HB2      LEU  21  50.093   1.425   1.853
  155    HB3  LEU  21           HB1      LEU  21  50.332  -0.313   1.655
  156    HG   LEU  21           HG       LEU  21  52.468   1.744   2.298
  157   HD11  LEU  21          HD11      LEU  21  50.990   1.104   4.181
  158   HD12  LEU  21          HD12      LEU  21  52.632   0.508   4.416
  159   HD13  LEU  21          HD13      LEU  21  51.363  -0.594   3.884
  160   HD21  LEU  21          HD21      LEU  21  53.515   0.108   0.901
  161   HD22  LEU  21          HD22      LEU  21  52.628  -1.215   1.658
  162   HD23  LEU  21          HD23      LEU  21  53.896  -0.376   2.552
  163    H    THR  22           HN       THR  22  50.852   2.429  -1.956
  164    HA   THR  22           HA       THR  22  47.979   2.651  -1.911
  165    HB   THR  22           HB       THR  22  48.296   3.965  -4.009
  166    HG1  THR  22           HG1      THR  22  50.699   2.704  -3.866
  167   HG21  THR  22          HG21      THR  22  49.635   5.781  -2.960
  168   HG22  THR  22          HG22      THR  22  50.147   4.648  -1.708
  169   HG23  THR  22          HG23      THR  22  48.447   5.097  -1.849
  170    H    HIS  23           HN       HIS  23  48.008   0.110  -2.032
  171    HA   HIS  23           HA       HIS  23  48.361  -1.026  -4.660
  172    HB2  HIS  23           HB2      HIS  23  48.658  -2.349  -2.582
  173    HB3  HIS  23           HB1      HIS  23  46.936  -2.169  -2.246
  174    HD1  HIS  23           HD1      HIS  23  49.311  -3.757  -4.723
  175    HD2  HIS  23           HD2      HIS  23  45.244  -3.803  -3.812
  176    HE1  HIS  23           HE1      HIS  23  48.300  -5.661  -6.053
  177    H    TYR  24           HN       TYR  24  47.015  -0.491  -6.260
  178    HA   TYR  24           HA       TYR  24  44.238  -1.097  -6.126
  179    HB2  TYR  24           HB2      TYR  24  44.277   1.073  -4.866
  180    HB3  TYR  24           HB1      TYR  24  44.894   1.851  -6.324
  181    HD1  TYR  24           HD1      TYR  24  43.485   2.145  -8.306
  182    HD2  TYR  24           HD2      TYR  24  41.983   0.178  -4.771
  183    HE1  TYR  24           HE1      TYR  24  41.163   2.334  -9.188
  184    HE2  TYR  24           HE2      TYR  24  39.660   0.367  -5.652
  185    HH   TYR  24           HH       TYR  24  38.855   0.610  -8.535
  186    H    LEU  25           HN       LEU  25  47.060  -0.008  -7.706
  187    HA   LEU  25           HA       LEU  25  47.654   0.219  -9.911
  188    HB2  LEU  25           HB2      LEU  25  47.234  -2.147  -9.972
  189    HB3  LEU  25           HB1      LEU  25  45.495  -1.896 -10.072
  190    HG   LEU  25           HG       LEU  25  45.672  -1.003 -12.308
  191   HD11  LEU  25          HD11      LEU  25  47.638   0.334 -12.262
  192   HD12  LEU  25          HD12      LEU  25  48.018  -0.962 -13.392
  193   HD13  LEU  25          HD13      LEU  25  48.645  -1.018 -11.744
  194   HD21  LEU  25          HD21      LEU  25  46.549  -2.933 -13.493
  195   HD22  LEU  25          HD22      LEU  25  45.782  -3.493 -12.007
  196   HD23  LEU  25          HD23      LEU  25  47.540  -3.384 -12.104
  Start of MODEL   34
    1    H1   GLY   1           HT1      GLY   1  40.985  10.711   7.989
    2    H2   GLY   1           HT2      GLY   1  40.554  10.129   6.450
    3    H3   GLY   1           HT3      GLY   1  39.388  10.865   7.443
    4    HA2  GLY   1           HA1      GLY   1  40.162  12.936   7.100
    5    HA3  GLY   1           HA2      GLY   1  41.769  12.350   6.691
    6    H    TRP   2           HN       TRP   2  40.285  14.229   5.172
    7    HA   TRP   2           HA       TRP   2  40.436  12.966   2.583
    8    HB2  TRP   2           HB2      TRP   2  38.074  13.615   1.962
    9    HB3  TRP   2           HB1      TRP   2  38.198  12.257   3.079
   10    HD1  TRP   2           HD1      TRP   2  37.549  16.057   3.111
   11    HE1  TRP   2           HE1      TRP   2  36.095  16.616   5.165
   12    HE3  TRP   2           HE3      TRP   2  37.348  11.443   5.319
   13    HZ2  TRP   2           HZ2      TRP   2  34.984  15.284   7.457
   14    HZ3  TRP   2           HZ3      TRP   2  36.084  11.111   7.439
   15    HH2  TRP   2           HH2      TRP   2  34.903  13.026   8.508
   16    H    GLY   3           HN       GLY   3  40.839  15.508   4.575
   17    HA2  GLY   3           HA1      GLY   3  41.548  17.295   2.474
   18    HA3  GLY   3           HA2      GLY   3  40.054  17.800   3.251
   19    H    SER   4           HN       SER   4  42.161  16.107   5.309
   20    HA   SER   4           HA       SER   4  42.581  18.421   6.960
   21    HB2  SER   4           HB2      SER   4  42.273  16.153   7.900
   22    HB3  SER   4           HB1      SER   4  43.789  15.651   7.158
   23    HG   SER   4           HG       SER   4  43.989  16.331   9.371
   24    H    PHE   5           HN       PHE   5  44.345  16.836   4.441
   25    HA   PHE   5           HA       PHE   5  46.951  17.777   5.152
   26    HB2  PHE   5           HB2      PHE   5  47.471  17.208   2.739
   27    HB3  PHE   5           HB1      PHE   5  46.810  15.883   3.697
   28    HD1  PHE   5           HD1      PHE   5  46.078  18.381   1.059
   29    HD2  PHE   5           HD2      PHE   5  44.567  15.014   3.297
   30    HE1  PHE   5           HE1      PHE   5  44.187  18.160  -0.549
   31    HE2  PHE   5           HE2      PHE   5  42.675  14.795   1.690
   32    HZ   PHE   5           HZ       PHE   5  42.510  16.342  -0.256
   33    H    PHE   6           HN       PHE   6  48.093  19.061   3.191
   34    HA   PHE   6           HA       PHE   6  46.516  21.262   2.156
   35    HB2  PHE   6           HB2      PHE   6  48.579  21.725   4.326
   36    HB3  PHE   6           HB1      PHE   6  47.904  22.996   3.306
   37    HD1  PHE   6           HD1      PHE   6  45.359  23.329   3.279
   38    HD2  PHE   6           HD2      PHE   6  47.396  20.953   6.254
   39    HE1  PHE   6           HE1      PHE   6  43.373  23.497   4.776
   40    HE2  PHE   6           HE2      PHE   6  45.411  21.123   7.748
   41    HZ   PHE   6           HZ       PHE   6  43.407  22.412   7.019
   42    H    ARG   7           HN       ARG   7  47.505  19.950   0.345
   43    HA   ARG   7           HA       ARG   7  49.049  19.711  -1.343
   44    HB2  ARG   7           HB2      ARG   7  50.125  22.392  -0.453
   45    HB3  ARG   7           HB1      ARG   7  50.098  21.711  -2.080
   46    HG2  ARG   7           HG2      ARG   7  47.581  21.745  -1.971
   47    HG3  ARG   7           HG1      ARG   7  47.716  22.620  -0.443
   48    HD2  ARG   7           HD2      ARG   7  48.555  23.522  -3.199
   49    HD3  ARG   7           HD1      ARG   7  47.488  24.339  -2.056
   50    HE   ARG   7           HE       ARG   7  49.899  24.234  -0.710
   51   HH11  ARG   7          HH11      ARG   7  49.802  26.819  -0.846
   52   HH12  ARG   7          HH12      ARG   7  50.591  27.384  -2.281
   53   HH21  ARG   7          HH21      ARG   7  50.519  24.297  -3.858
   54   HH22  ARG   7          HH22      ARG   7  50.996  25.957  -3.985
   55    H    ARG   8           HN       ARG   8  49.838  18.161   0.588
   56    HA   ARG   8           HA       ARG   8  52.723  18.268   0.483
   57    HB2  ARG   8           HB2      ARG   8  52.204  19.778   2.403
   58    HB3  ARG   8           HB1      ARG   8  51.385  18.429   3.194
   59    HG2  ARG   8           HG2      ARG   8  53.443  17.134   3.226
   60    HG3  ARG   8           HG1      ARG   8  54.280  18.380   2.298
   61    HD2  ARG   8           HD2      ARG   8  53.109  18.715   5.076
   62    HD3  ARG   8           HD1      ARG   8  54.824  18.601   4.681
   63    HE   ARG   8           HE       ARG   8  53.234  20.986   4.490
   64   HH11  ARG   8          HH11      ARG   8  53.554  22.145   2.357
   65   HH12  ARG   8          HH12      ARG   8  55.202  22.205   1.824
   66   HH21  ARG   8          HH21      ARG   8  56.287  19.769   4.040
   67   HH22  ARG   8          HH22      ARG   8  56.748  20.862   2.777
   68    H    ALA   9           HN       ALA   9  50.520  16.824   2.874
   69    HA   ALA   9           HA       ALA   9  51.671  14.240   2.613
   70    HB1  ALA   9           HB1      ALA   9  49.695  13.521   3.970
   71    HB2  ALA   9           HB2      ALA   9  49.076  15.168   3.843
   72    HB3  ALA   9           HB3      ALA   9  50.601  14.861   4.673
   73    H    ALA  10           HN       ALA  10  49.820  15.884   0.460
   74    HA   ALA  10           HA       ALA  10  47.921  13.945  -0.374
   75    HB1  ALA  10           HB1      ALA  10  47.891  15.265  -2.490
   76    HB2  ALA  10           HB2      ALA  10  49.238  16.217  -1.866
   77    HB3  ALA  10           HB3      ALA  10  47.679  16.250  -1.044
   78    H    HIS  11           HN       HIS  11  50.374  14.993  -2.645
   79    HA   HIS  11           HA       HIS  11  51.831  12.549  -2.745
   80    HB2  HIS  11           HB2      HIS  11  50.995  11.697  -4.886
   81    HB3  HIS  11           HB1      HIS  11  49.708  11.713  -3.680
   82    HD1  HIS  11           HD1      HIS  11  49.150  14.828  -3.861
   83    HD2  HIS  11           HD2      HIS  11  49.255  12.179  -7.075
   84    HE1  HIS  11           HE1      HIS  11  47.830  15.915  -5.729
   85    H    VAL  12           HN       VAL  12  51.671  15.680  -3.129
   86    HA   VAL  12           HA       VAL  12  52.799  16.247  -5.659
   87    HB   VAL  12           HB       VAL  12  53.557  18.382  -4.606
   88   HG11  VAL  12          HG11      VAL  12  51.270  19.156  -3.961
   89   HG12  VAL  12          HG12      VAL  12  50.735  17.475  -3.955
   90   HG13  VAL  12          HG13      VAL  12  51.275  18.224  -5.458
   91   HG21  VAL  12          HG21      VAL  12  52.495  17.031  -2.103
   92   HG22  VAL  12          HG22      VAL  12  52.873  18.750  -2.216
   93   HG23  VAL  12          HG23      VAL  12  54.154  17.551  -2.396
   94    H    GLY  13           HN       GLY  13  54.053  14.590  -3.017
   95    HA2  GLY  13           HA1      GLY  13  56.620  14.301  -4.225
   96    HA3  GLY  13           HA2      GLY  13  56.695  15.327  -2.798
   97    H    ARG  14           HN       ARG  14  55.169  14.269  -0.965
   98    HA   ARG  14           HA       ARG  14  56.513  11.821  -0.250
   99    HB2  ARG  14           HB2      ARG  14  54.250  13.294   1.121
  100    HB3  ARG  14           HB1      ARG  14  55.201  11.985   1.822
  101    HG2  ARG  14           HG2      ARG  14  57.263  13.381   1.453
  102    HG3  ARG  14           HG1      ARG  14  56.211  14.710   0.966
  103    HD2  ARG  14           HD2      ARG  14  55.075  14.612   3.160
  104    HD3  ARG  14           HD1      ARG  14  56.145  13.298   3.650
  105    HE   ARG  14           HE       ARG  14  57.737  15.521   2.819
  106   HH11  ARG  14          HH11      ARG  14  57.318  13.758   5.475
  107   HH12  ARG  14          HH12      ARG  14  57.268  15.052   6.625
  108   HH21  ARG  14          HH21      ARG  14  56.920  17.528   4.221
  109   HH22  ARG  14          HH22      ARG  14  57.042  17.186   5.915
  110    H    HIS  15           HN       HIS  15  55.673  10.635  -2.182
  111    HA   HIS  15           HA       HIS  15  52.959   9.995  -2.533
  112    HB2  HIS  15           HB2      HIS  15  55.387   8.303  -3.172
  113    HB3  HIS  15           HB1      HIS  15  53.769   8.084  -3.840
  114    HD1  HIS  15           HD1      HIS  15  55.978   8.663  -5.826
  115    HD2  HIS  15           HD2      HIS  15  53.861  11.713  -3.935
  116    HE1  HIS  15           HE1      HIS  15  56.182  10.706  -7.312
  117    H    VAL  16           HN       VAL  16  52.180   9.686  -0.364
  118    HA   VAL  16           HA       VAL  16  51.529   8.419   1.436
  119    HB   VAL  16           HB       VAL  16  52.357   6.021  -0.225
  120   HG11  VAL  16          HG11      VAL  16  51.695   5.584   2.114
  121   HG12  VAL  16          HG12      VAL  16  50.494   4.949   0.989
  122   HG13  VAL  16          HG13      VAL  16  50.186   6.457   1.851
  123   HG21  VAL  16          HG21      VAL  16  49.819   7.682  -0.343
  124   HG22  VAL  16          HG22      VAL  16  50.026   6.114  -1.125
  125   HG23  VAL  16          HG23      VAL  16  51.005   7.489  -1.634
  126    H    GLY  17           HN       GLY  17  53.585   9.387   2.374
  127    HA2  GLY  17           HA1      GLY  17  55.361   9.129   3.799
  128    HA3  GLY  17           HA2      GLY  17  54.934   7.426   3.886
  129    H    ARG  18           HN       ARG  18  56.053   9.466   1.191
  130    HA   ARG  18           HA       ARG  18  57.728   9.130  -0.347
  131    HB2  ARG  18           HB2      ARG  18  59.011   9.702   1.756
  132    HB3  ARG  18           HB1      ARG  18  59.243   7.970   2.000
  133    HG2  ARG  18           HG2      ARG  18  60.345   7.796  -0.195
  134    HG3  ARG  18           HG1      ARG  18  60.099   9.521  -0.463
  135    HD2  ARG  18           HD2      ARG  18  61.463  10.022   1.540
  136    HD3  ARG  18           HD1      ARG  18  61.730   8.295   1.780
  137    HE   ARG  18           HE       ARG  18  63.422   8.457   0.163
  138   HH11  ARG  18          HH11      ARG  18  63.895  11.269   0.185
  139   HH12  ARG  18          HH12      ARG  18  63.424  11.813  -1.390
  140   HH21  ARG  18          HH21      ARG  18  61.565   8.975  -2.106
  141   HH22  ARG  18          HH22      ARG  18  62.105  10.515  -2.688
  142    H    ALA  19           HN       ALA  19  56.395   7.467  -1.367
  143    HA   ALA  19           HA       ALA  19  56.129   5.422  -2.364
  144    HB1  ALA  19           HB1      ALA  19  58.076   4.136  -2.793
  145    HB2  ALA  19           HB2      ALA  19  58.897   4.767  -1.366
  146    HB3  ALA  19           HB3      ALA  19  58.605   5.817  -2.751
  147    H    ALA  20           HN       ALA  20  55.323   3.418  -1.859
  148    HA   ALA  20           HA       ALA  20  55.959   2.026   0.557
  149    HB1  ALA  20           HB1      ALA  20  53.726   2.262   1.611
  150    HB2  ALA  20           HB2      ALA  20  53.323   3.498   0.420
  151    HB3  ALA  20           HB3      ALA  20  54.626   3.778   1.575
  152    H    LEU  21           HN       LEU  21  55.597  -0.066   0.182
  153    HA   LEU  21           HA       LEU  21  54.240  -0.908  -2.216
  154    HB2  LEU  21           HB2      LEU  21  55.179  -2.721   0.009
  155    HB3  LEU  21           HB1      LEU  21  55.049  -3.075  -1.713
  156    HG   LEU  21           HG       LEU  21  57.008  -1.161  -0.408
  157   HD11  LEU  21          HD11      LEU  21  57.453  -3.636  -0.210
  158   HD12  LEU  21          HD12      LEU  21  58.693  -2.751  -1.098
  159   HD13  LEU  21          HD13      LEU  21  57.499  -3.711  -1.971
  160   HD21  LEU  21          HD21      LEU  21  56.463  -0.194  -2.522
  161   HD22  LEU  21          HD22      LEU  21  56.386  -1.770  -3.311
  162   HD23  LEU  21          HD23      LEU  21  57.942  -1.107  -2.811
  163    H    THR  22           HN       THR  22  53.096   0.004   0.752
  164    HA   THR  22           HA       THR  22  51.091  -2.027   1.153
  165    HB   THR  22           HB       THR  22  50.169  -0.460   2.842
  166    HG1  THR  22           HG1      THR  22  52.320   1.241   2.190
  167   HG21  THR  22          HG21      THR  22  52.135  -1.976   3.311
  168   HG22  THR  22          HG22      THR  22  52.045  -0.554   4.351
  169   HG23  THR  22          HG23      THR  22  53.189  -0.595   3.009
  170    H    HIS  23           HN       HIS  23  49.638   0.980   1.499
  171    HA   HIS  23           HA       HIS  23  47.699   1.793   0.539
  172    HB2  HIS  23           HB2      HIS  23  48.054   2.687  -1.685
  173    HB3  HIS  23           HB1      HIS  23  49.535   2.876  -0.748
  174    HD1  HIS  23           HD1      HIS  23  51.533   1.275  -1.330
  175    HD2  HIS  23           HD2      HIS  23  48.276   0.977  -3.912
  176    HE1  HIS  23           HE1      HIS  23  52.328  -0.053  -3.335
  177    H    TYR  24           HN       TYR  24  46.607   1.513  -1.999
  178    HA   TYR  24           HA       TYR  24  46.325  -1.219  -2.774
  179    HB2  TYR  24           HB2      TYR  24  44.059  -1.622  -2.005
  180    HB3  TYR  24           HB1      TYR  24  45.084  -1.262  -0.618
  181    HD1  TYR  24           HD1      TYR  24  45.108   1.116   0.322
  182    HD2  TYR  24           HD2      TYR  24  42.161  -0.253  -2.521
  183    HE1  TYR  24           HE1      TYR  24  43.627   3.023   0.937
  184    HE2  TYR  24           HE2      TYR  24  40.680   1.653  -1.903
  185    HH   TYR  24           HH       TYR  24  40.666   3.701  -0.871
  186    H    LEU  25           HN       LEU  25  46.127   1.988  -3.319
  187    HA   LEU  25           HA       LEU  25  43.891   2.202  -5.075
  188    HB2  LEU  25           HB2      LEU  25  46.388   3.893  -5.239
  189    HB3  LEU  25           HB1      LEU  25  44.730   4.347  -5.627
  190    HG   LEU  25           HG       LEU  25  45.832   3.739  -2.869
  191   HD11  LEU  25          HD11      LEU  25  44.661   6.298  -3.992
  192   HD12  LEU  25          HD12      LEU  25  46.392   5.966  -3.918
  193   HD13  LEU  25          HD13      LEU  25  45.452   6.084  -2.430
  194   HD21  LEU  25          HD21      LEU  25  43.488   4.565  -2.185
  195   HD22  LEU  25          HD22      LEU  25  43.583   2.940  -2.861
  196   HD23  LEU  25          HD23      LEU  25  43.021   4.280  -3.861
  Start of MODEL   35
    1    H1   GLY   1           HT1      GLY   1  46.592  23.625  10.258
    2    H2   GLY   1           HT2      GLY   1  47.664  23.979  11.529
    3    H3   GLY   1           HT3      GLY   1  48.127  24.258   9.917
    4    HA2  GLY   1           HA1      GLY   1  46.990  26.019  11.653
    5    HA3  GLY   1           HA2      GLY   1  47.290  26.241   9.934
    6    H    TRP   2           HN       TRP   2  45.449  24.083   9.174
    7    HA   TRP   2           HA       TRP   2  42.843  24.645  10.171
    8    HB2  TRP   2           HB2      TRP   2  43.275  26.782   8.972
    9    HB3  TRP   2           HB1      TRP   2  43.506  25.866   7.481
   10    HD1  TRP   2           HD1      TRP   2  41.347  24.348   6.681
   11    HE1  TRP   2           HE1      TRP   2  38.830  24.877   6.870
   12    HE3  TRP   2           HE3      TRP   2  41.486  27.963  10.303
   13    HZ2  TRP   2           HZ2      TRP   2  37.090  26.611   8.363
   14    HZ3  TRP   2           HZ3      TRP   2  39.385  29.040  11.095
   15    HH2  TRP   2           HH2      TRP   2  37.189  28.368  10.129
   16    H    GLY   3           HN       GLY   3  44.740  23.660   7.340
   17    HA2  GLY   3           HA1      GLY   3  43.858  21.021   7.303
   18    HA3  GLY   3           HA2      GLY   3  42.794  21.929   6.237
   19    H    SER   4           HN       SER   4  46.001  23.101   6.538
   20    HA   SER   4           HA       SER   4  46.540  22.588   3.750
   21    HB2  SER   4           HB2      SER   4  47.255  24.663   4.974
   22    HB3  SER   4           HB1      SER   4  48.419  23.678   5.856
   23    HG   SER   4           HG       SER   4  48.353  23.473   3.072
   24    H    PHE   5           HN       PHE   5  46.190  20.136   4.697
   25    HA   PHE   5           HA       PHE   5  48.752  18.887   4.290
   26    HB2  PHE   5           HB2      PHE   5  48.797  19.464   6.739
   27    HB3  PHE   5           HB1      PHE   5  47.398  18.412   6.956
   28    HD1  PHE   5           HD1      PHE   5  50.930  18.481   5.717
   29    HD2  PHE   5           HD2      PHE   5  47.664  16.039   7.135
   30    HE1  PHE   5           HE1      PHE   5  52.447  16.506   5.813
   31    HE2  PHE   5           HE2      PHE   5  49.182  14.066   7.231
   32    HZ   PHE   5           HZ       PHE   5  51.581  14.309   6.605
   33    H    PHE   6           HN       PHE   6  47.074  18.396   2.540
   34    HA   PHE   6           HA       PHE   6  46.205  15.696   2.876
   35    HB2  PHE   6           HB2      PHE   6  44.360  16.814   4.066
   36    HB3  PHE   6           HB1      PHE   6  44.046  17.805   2.643
   37    HD1  PHE   6           HD1      PHE   6  43.098  16.832   0.591
   38    HD2  PHE   6           HD2      PHE   6  43.822  14.421   4.097
   39    HE1  PHE   6           HE1      PHE   6  41.688  15.014  -0.368
   40    HE2  PHE   6           HE2      PHE   6  42.412  12.604   3.138
   41    HZ   PHE   6           HZ       PHE   6  41.364  12.891   0.896
   42    H    ARG   7           HN       ARG   7  46.788  18.512   1.077
   43    HA   ARG   7           HA       ARG   7  46.914  17.029  -1.397
   44    HB2  ARG   7           HB2      ARG   7  45.367  18.622  -2.599
   45    HB3  ARG   7           HB1      ARG   7  44.563  17.503  -1.498
   46    HG2  ARG   7           HG2      ARG   7  44.396  19.208   0.215
   47    HG3  ARG   7           HG1      ARG   7  45.373  20.325  -0.739
   48    HD2  ARG   7           HD2      ARG   7  43.054  20.945  -1.031
   49    HD3  ARG   7           HD1      ARG   7  43.609  20.214  -2.536
   50    HE   ARG   7           HE       ARG   7  42.120  18.417  -2.160
   51   HH11  ARG   7          HH11      ARG   7  42.857  20.028   0.788
   52   HH12  ARG   7          HH12      ARG   7  41.510  19.362   1.649
   53   HH21  ARG   7          HH21      ARG   7  40.250  17.669  -1.103
   54   HH22  ARG   7          HH22      ARG   7  40.033  18.027   0.579
   55    H    ARG   8           HN       ARG   8  48.573  18.699   0.439
   56    HA   ARG   8           HA       ARG   8  49.151  21.200  -0.735
   57    HB2  ARG   8           HB2      ARG   8  51.278  21.057   0.498
   58    HB3  ARG   8           HB1      ARG   8  49.917  20.579   1.516
   59    HG2  ARG   8           HG2      ARG   8  50.412  18.174   0.861
   60    HG3  ARG   8           HG1      ARG   8  51.905  18.763   0.131
   61    HD2  ARG   8           HD2      ARG   8  51.116  19.176   3.029
   62    HD3  ARG   8           HD1      ARG   8  52.256  17.957   2.458
   63    HE   ARG   8           HE       ARG   8  53.180  20.428   1.470
   64   HH11  ARG   8          HH11      ARG   8  54.263  18.327   3.603
   65   HH12  ARG   8          HH12      ARG   8  54.729  19.434   4.850
   66   HH21  ARG   8          HH21      ARG   8  53.033  22.123   3.463
   67   HH22  ARG   8          HH22      ARG   8  54.032  21.583   4.772
   68    H    ALA   9           HN       ALA   9  49.842  17.987  -1.725
   69    HA   ALA   9           HA       ALA   9  51.016  18.871  -4.181
   70    HB1  ALA   9           HB1      ALA   9  52.951  19.075  -2.621
   71    HB2  ALA   9           HB2      ALA   9  53.213  17.913  -3.922
   72    HB3  ALA   9           HB3      ALA   9  52.819  17.347  -2.299
   73    H    ALA  10           HN       ALA  10  49.155  17.606  -4.813
   74    HA   ALA  10           HA       ALA  10  48.092  15.693  -5.523
   75    HB1  ALA  10           HB1      ALA  10  50.885  14.557  -5.609
   76    HB2  ALA  10           HB2      ALA  10  50.235  15.648  -6.833
   77    HB3  ALA  10           HB3      ALA  10  49.496  14.067  -6.578
   78    H    HIS  11           HN       HIS  11  47.799  15.892  -2.885
   79    HA   HIS  11           HA       HIS  11  47.428  14.728  -0.936
   80    HB2  HIS  11           HB2      HIS  11  47.438  12.376  -2.845
   81    HB3  HIS  11           HB1      HIS  11  46.770  12.378  -1.213
   82    HD1  HIS  11           HD1      HIS  11  46.357  14.431  -4.411
   83    HD2  HIS  11           HD2      HIS  11  44.090  13.018  -1.211
   84    HE1  HIS  11           HE1      HIS  11  43.968  15.153  -4.851
   85    H    VAL  12           HN       VAL  12  49.232  14.949   0.296
   86    HA   VAL  12           HA       VAL  12  51.703  13.628  -0.252
   87    HB   VAL  12           HB       VAL  12  51.572  15.729   1.070
   88   HG11  VAL  12          HG11      VAL  12  50.712  15.740   3.311
   89   HG12  VAL  12          HG12      VAL  12  50.483  13.991   3.300
   90   HG13  VAL  12          HG13      VAL  12  49.465  15.021   2.294
   91   HG21  VAL  12          HG21      VAL  12  53.491  14.110   1.279
   92   HG22  VAL  12          HG22      VAL  12  52.695  13.422   2.694
   93   HG23  VAL  12          HG23      VAL  12  53.239  15.100   2.716
   94    H    GLY  13           HN       GLY  13  48.905  12.902   1.759
   95    HA2  GLY  13           HA1      GLY  13  50.012  10.815   3.280
   96    HA3  GLY  13           HA2      GLY  13  48.303  11.024   2.926
   97    H    ARG  14           HN       ARG  14  48.559  10.859   0.074
   98    HA   ARG  14           HA       ARG  14  48.239   8.108  -0.324
   99    HB2  ARG  14           HB2      ARG  14  47.452  10.014  -1.820
  100    HB3  ARG  14           HB1      ARG  14  49.094  10.076  -2.456
  101    HG2  ARG  14           HG2      ARG  14  48.942   7.797  -3.254
  102    HG3  ARG  14           HG1      ARG  14  47.389   7.568  -2.452
  103    HD2  ARG  14           HD2      ARG  14  47.059   8.006  -4.849
  104    HD3  ARG  14           HD1      ARG  14  46.400   9.327  -3.883
  105    HE   ARG  14           HE       ARG  14  49.110   9.934  -4.578
  106   HH11  ARG  14          HH11      ARG  14  49.498  10.326  -6.926
  107   HH12  ARG  14          HH12      ARG  14  48.218  11.147  -7.754
  108   HH21  ARG  14          HH21      ARG  14  45.915  10.690  -5.202
  109   HH22  ARG  14          HH22      ARG  14  46.190  11.353  -6.778
  110    H    HIS  15           HN       HIS  15  49.562   6.673  -1.681
  111    HA   HIS  15           HA       HIS  15  51.514   5.506  -2.015
  112    HB2  HIS  15           HB2      HIS  15  52.578   8.317  -2.381
  113    HB3  HIS  15           HB1      HIS  15  53.439   6.845  -2.830
  114    HD1  HIS  15           HD1      HIS  15  51.395   5.175  -4.206
  115    HD2  HIS  15           HD2      HIS  15  51.615   9.296  -4.783
  116    HE1  HIS  15           HE1      HIS  15  50.215   5.656  -6.394
  117    H    VAL  16           HN       VAL  16  53.186   8.289  -0.650
  118    HA   VAL  16           HA       VAL  16  54.543   6.639   1.271
  119    HB   VAL  16           HB       VAL  16  54.470   9.670   1.217
  120   HG11  VAL  16          HG11      VAL  16  55.480   8.650   3.215
  121   HG12  VAL  16          HG12      VAL  16  56.725   9.398   2.217
  122   HG13  VAL  16          HG13      VAL  16  56.512   7.648   2.195
  123   HG21  VAL  16          HG21      VAL  16  56.190   7.724  -0.352
  124   HG22  VAL  16          HG22      VAL  16  56.533   9.447  -0.201
  125   HG23  VAL  16          HG23      VAL  16  55.064   8.908  -1.016
  126    H    GLY  17           HN       GLY  17  52.336   5.909   2.132
  127    HA2  GLY  17           HA1      GLY  17  51.974   6.673   4.732
  128    HA3  GLY  17           HA2      GLY  17  50.886   7.713   3.822
  129    H    ARG  18           HN       ARG  18  49.728   6.277   1.984
  130    HA   ARG  18           HA       ARG  18  47.798   4.750   3.251
  131    HB2  ARG  18           HB2      ARG  18  47.682   5.666   0.911
  132    HB3  ARG  18           HB1      ARG  18  48.721   4.335   0.401
  133    HG2  ARG  18           HG2      ARG  18  47.081   2.703   1.171
  134    HG3  ARG  18           HG1      ARG  18  46.061   3.991   1.814
  135    HD2  ARG  18           HD2      ARG  18  45.859   4.927  -0.494
  136    HD3  ARG  18           HD1      ARG  18  46.772   3.545  -1.100
  137    HE   ARG  18           HE       ARG  18  43.994   3.506  -0.582
  138   HH11  ARG  18          HH11      ARG  18  46.616   1.510  -1.091
  139   HH12  ARG  18          HH12      ARG  18  45.920   0.098  -0.368
  140   HH21  ARG  18          HH21      ARG  18  43.178   1.786   0.919
  141   HH22  ARG  18          HH22      ARG  18  43.974   0.255   0.771
  142    H    ALA  19           HN       ALA  19  50.872   3.723   1.845
  143    HA   ALA  19           HA       ALA  19  52.034   1.747   1.972
  144    HB1  ALA  19           HB1      ALA  19  51.735   2.285   4.413
  145    HB2  ALA  19           HB2      ALA  19  51.952   0.572   4.051
  146    HB3  ALA  19           HB3      ALA  19  50.343   1.201   4.410
  147    H    ALA  20           HN       ALA  20  51.605   0.354   0.384
  148    HA   ALA  20           HA       ALA  20  49.716  -1.771   0.770
  149    HB1  ALA  20           HB1      ALA  20  48.329  -1.286  -1.204
  150    HB2  ALA  20           HB2      ALA  20  49.155   0.261  -1.396
  151    HB3  ALA  20           HB3      ALA  20  48.162  -0.038   0.031
  152    H    LEU  21           HN       LEU  21  49.549  -3.044  -1.439
  153    HA   LEU  21           HA       LEU  21  52.245  -3.708  -2.164
  154    HB2  LEU  21           HB2      LEU  21  49.515  -4.674  -3.015
  155    HB3  LEU  21           HB1      LEU  21  50.957  -5.211  -3.876
  156    HG   LEU  21           HG       LEU  21  51.913  -6.067  -1.780
  157   HD11  LEU  21          HD11      LEU  21  49.370  -4.930  -0.597
  158   HD12  LEU  21          HD12      LEU  21  51.035  -4.596  -0.121
  159   HD13  LEU  21          HD13      LEU  21  50.320  -6.168   0.227
  160   HD21  LEU  21          HD21      LEU  21  50.291  -7.907  -1.409
  161   HD22  LEU  21          HD22      LEU  21  50.486  -7.557  -3.126
  162   HD23  LEU  21          HD23      LEU  21  49.058  -6.980  -2.266
  163    H    THR  22           HN       THR  22  52.656  -1.397  -2.878
  164    HA   THR  22           HA       THR  22  51.579  -0.576  -5.433
  165    HB   THR  22           HB       THR  22  53.982   0.535  -3.950
  166    HG1  THR  22           HG1      THR  22  51.212   0.970  -3.739
  167   HG21  THR  22          HG21      THR  22  53.908   1.243  -6.268
  168   HG22  THR  22          HG22      THR  22  53.378   2.589  -5.259
  169   HG23  THR  22          HG23      THR  22  52.191   1.624  -6.136
  170    H    HIS  23           HN       HIS  23  52.631  -0.564  -7.412
  171    HA   HIS  23           HA       HIS  23  54.270  -2.719  -8.070
  172    HB2  HIS  23           HB2      HIS  23  54.038  -0.060  -9.500
  173    HB3  HIS  23           HB1      HIS  23  54.673  -1.550 -10.197
  174    HD1  HIS  23           HD1      HIS  23  52.696  -3.635  -9.373
  175    HD2  HIS  23           HD2      HIS  23  51.516   0.161 -10.621
  176    HE1  HIS  23           HE1      HIS  23  50.279  -3.839 -10.095
  177    H    TYR  24           HN       TYR  24  56.509  -2.718  -8.824
  178    HA   TYR  24           HA       TYR  24  58.750  -2.430  -8.385
  179    HB2  TYR  24           HB2      TYR  24  58.248  -0.357  -9.689
  180    HB3  TYR  24           HB1      TYR  24  57.968   0.487  -8.165
  181    HD1  TYR  24           HD1      TYR  24  60.509  -1.267 -10.238
  182    HD2  TYR  24           HD2      TYR  24  59.806   1.144  -6.727
  183    HE1  TYR  24           HE1      TYR  24  62.961  -0.886 -10.007
  184    HE2  TYR  24           HE2      TYR  24  62.258   1.525  -6.497
  185    HH   TYR  24           HH       TYR  24  64.526  -0.248  -7.766
  186    H    LEU  25           HN       LEU  25  59.161  -3.392  -6.453
  187    HA   LEU  25           HA       LEU  25  58.271  -2.745  -3.941
  188    HB2  LEU  25           HB2      LEU  25  60.060  -4.036  -3.063
  189    HB3  LEU  25           HB1      LEU  25  59.694  -4.736  -4.636
  190    HG   LEU  25           HG       LEU  25  62.003  -2.896  -3.934
  191   HD11  LEU  25          HD11      LEU  25  62.151  -5.367  -3.431
  192   HD12  LEU  25          HD12      LEU  25  63.374  -4.776  -4.557
  193   HD13  LEU  25          HD13      LEU  25  61.976  -5.663  -5.160
  194   HD21  LEU  25          HD21      LEU  25  60.937  -3.796  -6.625
  195   HD22  LEU  25          HD22      LEU  25  62.609  -3.284  -6.406
  196   HD23  LEU  25          HD23      LEU  25  61.296  -2.152  -6.096
  Start of MODEL   36
    1    H1   GLY   1           HT1      GLY   1  38.587  24.069   3.800
    2    H2   GLY   1           HT2      GLY   1  39.615  23.786   5.123
    3    H3   GLY   1           HT3      GLY   1  40.046  24.920   3.934
    4    HA2  GLY   1           HA1      GLY   1  37.828  26.006   4.585
    5    HA3  GLY   1           HA2      GLY   1  38.094  25.106   6.073
    6    H    TRP   2           HN       TRP   2  41.093  25.382   5.446
    7    HA   TRP   2           HA       TRP   2  41.604  28.218   5.809
    8    HB2  TRP   2           HB2      TRP   2  42.079  26.249   8.060
    9    HB3  TRP   2           HB1      TRP   2  42.740  27.883   8.005
   10    HD1  TRP   2           HD1      TRP   2  39.531  25.956   8.580
   11    HE1  TRP   2           HE1      TRP   2  37.703  27.571   9.416
   12    HE3  TRP   2           HE3      TRP   2  41.928  30.425   7.878
   13    HZ2  TRP   2           HZ2      TRP   2  37.300  30.396   9.746
   14    HZ3  TRP   2           HZ3      TRP   2  40.801  32.567   8.461
   15    HH2  TRP   2           HH2      TRP   2  38.491  32.558   9.394
   16    H    GLY   3           HN       GLY   3  42.385  25.342   4.552
   17    HA2  GLY   3           HA1      GLY   3  44.224  24.671   3.342
   18    HA3  GLY   3           HA2      GLY   3  45.013  26.177   3.785
   19    H    SER   4           HN       SER   4  43.723  24.089   6.246
   20    HA   SER   4           HA       SER   4  46.267  23.854   7.528
   21    HB2  SER   4           HB2      SER   4  45.108  22.594   9.206
   22    HB3  SER   4           HB1      SER   4  44.025  23.883   8.690
   23    HG   SER   4           HG       SER   4  43.652  21.825   7.075
   24    H    PHE   5           HN       PHE   5  46.831  21.493   8.354
   25    HA   PHE   5           HA       PHE   5  47.682  20.046   6.026
   26    HB2  PHE   5           HB2      PHE   5  47.833  19.246   8.942
   27    HB3  PHE   5           HB1      PHE   5  48.744  18.530   7.612
   28    HD1  PHE   5           HD1      PHE   5  50.369  19.970   6.292
   29    HD2  PHE   5           HD2      PHE   5  48.570  21.278   9.992
   30    HE1  PHE   5           HE1      PHE   5  52.121  21.728   6.523
   31    HE2  PHE   5           HE2      PHE   5  50.322  23.035  10.223
   32    HZ   PHE   5           HZ       PHE   5  52.096  23.262   8.487
   33    H    PHE   6           HN       PHE   6  47.398  17.585   6.008
   34    HA   PHE   6           HA       PHE   6  44.877  16.565   7.019
   35    HB2  PHE   6           HB2      PHE   6  45.291  16.955   4.043
   36    HB3  PHE   6           HB1      PHE   6  43.983  16.025   4.773
   37    HD1  PHE   6           HD1      PHE   6  42.441  17.220   6.468
   38    HD2  PHE   6           HD2      PHE   6  45.079  19.314   3.767
   39    HE1  PHE   6           HE1      PHE   6  41.106  19.302   6.777
   40    HE2  PHE   6           HE2      PHE   6  43.744  21.395   4.077
   41    HZ   PHE   6           HZ       PHE   6  41.764  21.392   5.590
   42    H    ARG   7           HN       ARG   7  47.991  16.160   6.464
   43    HA   ARG   7           HA       ARG   7  49.404  14.358   6.310
   44    HB2  ARG   7           HB2      ARG   7  46.974  12.639   6.830
   45    HB3  ARG   7           HB1      ARG   7  48.657  12.293   7.230
   46    HG2  ARG   7           HG2      ARG   7  48.621  14.317   8.743
   47    HG3  ARG   7           HG1      ARG   7  46.883  14.417   8.461
   48    HD2  ARG   7           HD2      ARG   7  47.333  13.174  10.531
   49    HD3  ARG   7           HD1      ARG   7  46.624  12.106   9.319
   50    HE   ARG   7           HE       ARG   7  48.622  10.867   9.377
   51   HH11  ARG   7          HH11      ARG   7  50.454  12.924   8.359
   52   HH12  ARG   7          HH12      ARG   7  51.528  13.193   9.691
   53   HH21  ARG   7          HH21      ARG   7  49.432  11.708  12.021
   54   HH22  ARG   7          HH22      ARG   7  50.950  12.504  11.765
   55    H    ARG   8           HN       ARG   8  47.460  15.213   4.020
   56    HA   ARG   8           HA       ARG   8  48.550  13.454   2.066
   57    HB2  ARG   8           HB2      ARG   8  46.619  12.114   3.189
   58    HB3  ARG   8           HB1      ARG   8  45.547  13.200   2.307
   59    HG2  ARG   8           HG2      ARG   8  46.756  12.556   0.190
   60    HG3  ARG   8           HG1      ARG   8  47.650  11.359   1.126
   61    HD2  ARG   8           HD2      ARG   8  44.630  11.474   0.882
   62    HD3  ARG   8           HD1      ARG   8  45.676  10.361   0.001
   63    HE   ARG   8           HE       ARG   8  46.164  10.149   2.829
   64   HH11  ARG   8          HH11      ARG   8  44.712   8.767   0.107
   65   HH12  ARG   8          HH12      ARG   8  43.736   7.642   0.994
   66   HH21  ARG   8          HH21      ARG   8  44.564   8.961   4.091
   67   HH22  ARG   8          HH22      ARG   8  43.654   7.753   3.249
   68    H    ALA   9           HN       ALA   9  48.359  16.270   2.582
   69    HA   ALA   9           HA       ALA   9  46.419  17.432   0.795
   70    HB1  ALA   9           HB1      ALA   9  47.417  18.548   2.834
   71    HB2  ALA   9           HB2      ALA   9  47.414  19.518   1.362
   72    HB3  ALA   9           HB3      ALA   9  48.900  18.739   1.902
   73    H    ALA  10           HN       ALA  10  48.846  19.284  -0.014
   74    HA   ALA  10           HA       ALA  10  49.023  18.539  -2.680
   75    HB1  ALA  10           HB1      ALA  10  50.882  20.054  -2.847
   76    HB2  ALA  10           HB2      ALA  10  51.191  19.939  -1.114
   77    HB3  ALA  10           HB3      ALA  10  49.726  20.730  -1.699
   78    H    HIS  11           HN       HIS  11  51.441  17.934  -0.122
   79    HA   HIS  11           HA       HIS  11  52.023  15.305  -1.045
   80    HB2  HIS  11           HB2      HIS  11  54.320  15.715  -1.857
   81    HB3  HIS  11           HB1      HIS  11  53.116  16.502  -2.880
   82    HD1  HIS  11           HD1      HIS  11  53.083  18.515  -0.011
   83    HD2  HIS  11           HD2      HIS  11  55.895  18.035  -3.046
   84    HE1  HIS  11           HE1      HIS  11  54.503  20.611  -0.010
   85    H    VAL  12           HN       VAL  12  51.375  15.984   1.419
   86    HA   VAL  12           HA       VAL  12  53.441  16.834   3.142
   87    HB   VAL  12           HB       VAL  12  51.226  14.900   3.883
   88   HG11  VAL  12          HG11      VAL  12  51.447  15.976   6.084
   89   HG12  VAL  12          HG12      VAL  12  52.702  17.040   5.449
   90   HG13  VAL  12          HG13      VAL  12  52.996  15.306   5.572
   91   HG21  VAL  12          HG21      VAL  12  49.960  17.018   4.457
   92   HG22  VAL  12          HG22      VAL  12  50.169  16.739   2.729
   93   HG23  VAL  12          HG23      VAL  12  51.184  17.915   3.562
   94    H    GLY  13           HN       GLY  13  52.744  13.774   1.641
   95    HA2  GLY  13           HA1      GLY  13  55.243  12.665   1.974
   96    HA3  GLY  13           HA2      GLY  13  54.317  12.149   3.377
   97    H    ARG  14           HN       ARG  14  54.791  11.808  -0.033
   98    HA   ARG  14           HA       ARG  14  52.473  10.260  -0.612
   99    HB2  ARG  14           HB2      ARG  14  53.660   9.636  -2.667
  100    HB3  ARG  14           HB1      ARG  14  53.803  11.368  -2.365
  101    HG2  ARG  14           HG2      ARG  14  56.019  10.887  -1.233
  102    HG3  ARG  14           HG1      ARG  14  55.885   9.236  -1.838
  103    HD2  ARG  14           HD2      ARG  14  57.220  10.526  -3.407
  104    HD3  ARG  14           HD1      ARG  14  55.666  10.165  -4.157
  105    HE   ARG  14           HE       ARG  14  55.629  12.719  -2.783
  106   HH11  ARG  14          HH11      ARG  14  57.248  14.184  -4.056
  107   HH12  ARG  14          HH12      ARG  14  56.908  14.208  -5.754
  108   HH21  ARG  14          HH21      ARG  14  54.893  11.387  -5.661
  109   HH22  ARG  14          HH22      ARG  14  55.575  12.624  -6.663
  110    H    HIS  15           HN       HIS  15  54.729   9.578   1.572
  111    HA   HIS  15           HA       HIS  15  55.575   6.942   0.950
  112    HB2  HIS  15           HB2      HIS  15  56.596   8.389   2.716
  113    HB3  HIS  15           HB1      HIS  15  55.147   8.150   3.694
  114    HD1  HIS  15           HD1      HIS  15  57.081   5.600   1.623
  115    HD2  HIS  15           HD2      HIS  15  55.891   6.252   5.562
  116    HE1  HIS  15           HE1      HIS  15  57.830   3.572   2.942
  117    H    VAL  16           HN       VAL  16  52.532   8.082   1.341
  118    HA   VAL  16           HA       VAL  16  51.419   5.439   1.732
  119    HB   VAL  16           HB       VAL  16  51.722   6.167   4.084
  120   HG11  VAL  16          HG11      VAL  16  50.618   8.130   4.940
  121   HG12  VAL  16          HG12      VAL  16  49.816   8.421   3.398
  122   HG13  VAL  16          HG13      VAL  16  51.561   8.630   3.538
  123   HG21  VAL  16          HG21      VAL  16  49.736   4.797   3.328
  124   HG22  VAL  16          HG22      VAL  16  48.803   6.292   3.262
  125   HG23  VAL  16          HG23      VAL  16  49.455   5.728   4.799
  126    H    GLY  17           HN       GLY  17  51.088   8.867   1.170
  127    HA2  GLY  17           HA1      GLY  17  48.330   8.884   0.498
  128    HA3  GLY  17           HA2      GLY  17  49.511  10.112   0.063
  129    H    ARG  18           HN       ARG  18  50.881   7.398  -1.019
  130    HA   ARG  18           HA       ARG  18  49.337   6.999  -3.457
  131    HB2  ARG  18           HB2      ARG  18  50.745   9.083  -3.823
  132    HB3  ARG  18           HB1      ARG  18  52.166   8.049  -3.676
  133    HG2  ARG  18           HG2      ARG  18  51.192   6.604  -5.512
  134    HG3  ARG  18           HG1      ARG  18  49.956   7.842  -5.738
  135    HD2  ARG  18           HD2      ARG  18  51.712   9.519  -6.183
  136    HD3  ARG  18           HD1      ARG  18  52.948   8.281  -5.962
  137    HE   ARG  18           HE       ARG  18  51.050   7.462  -7.969
  138   HH11  ARG  18          HH11      ARG  18  53.715   6.823  -8.623
  139   HH12  ARG  18          HH12      ARG  18  54.246   8.077  -9.694
  140   HH21  ARG  18          HH21      ARG  18  51.720  10.276  -8.799
  141   HH22  ARG  18          HH22      ARG  18  53.117  10.032  -9.793
  142    H    ALA  19           HN       ALA  19  52.238   6.370  -1.551
  143    HA   ALA  19           HA       ALA  19  53.577   4.508  -1.358
  144    HB1  ALA  19           HB1      ALA  19  51.418   3.660  -0.472
  145    HB2  ALA  19           HB2      ALA  19  52.398   2.400  -1.222
  146    HB3  ALA  19           HB3      ALA  19  51.019   3.078  -2.089
  147    H    ALA  20           HN       ALA  20  53.608   2.066  -2.656
  148    HA   ALA  20           HA       ALA  20  53.435   2.300  -5.492
  149    HB1  ALA  20           HB1      ALA  20  55.374   3.805  -5.019
  150    HB2  ALA  20           HB2      ALA  20  55.767   2.434  -6.054
  151    HB3  ALA  20           HB3      ALA  20  56.226   2.414  -4.352
  152    H    LEU  21           HN       LEU  21  52.894   0.464  -3.198
  153    HA   LEU  21           HA       LEU  21  54.649  -1.794  -3.484
  154    HB2  LEU  21           HB2      LEU  21  51.832  -1.899  -2.396
  155    HB3  LEU  21           HB1      LEU  21  53.218  -2.896  -1.955
  156    HG   LEU  21           HG       LEU  21  52.870   0.062  -1.381
  157   HD11  LEU  21          HD11      LEU  21  51.557  -1.450   0.066
  158   HD12  LEU  21          HD12      LEU  21  52.864  -0.684   0.969
  159   HD13  LEU  21          HD13      LEU  21  53.022  -2.360   0.441
  160   HD21  LEU  21          HD21      LEU  21  55.204  -1.830  -0.970
  161   HD22  LEU  21          HD22      LEU  21  55.025  -0.346  -0.033
  162   HD23  LEU  21          HD23      LEU  21  55.204  -0.264  -1.783
  163    H    THR  22           HN       THR  22  53.022  -0.552  -5.825
  164    HA   THR  22           HA       THR  22  51.130  -2.333  -6.796
  165    HB   THR  22           HB       THR  22  53.197  -0.911  -8.497
  166    HG1  THR  22           HG1      THR  22  52.004   0.858  -8.281
  167   HG21  THR  22          HG21      THR  22  50.388  -1.919  -9.018
  168   HG22  THR  22          HG22      THR  22  51.878  -2.516  -9.749
  169   HG23  THR  22          HG23      THR  22  51.294  -0.896 -10.132
  170    H    HIS  23           HN       HIS  23  54.556  -2.718  -6.498
  171    HA   HIS  23           HA       HIS  23  54.959  -4.727  -8.456
  172    HB2  HIS  23           HB2      HIS  23  56.493  -4.460  -5.866
  173    HB3  HIS  23           HB1      HIS  23  57.064  -5.108  -7.404
  174    HD1  HIS  23           HD1      HIS  23  57.116  -2.087  -5.457
  175    HD2  HIS  23           HD2      HIS  23  57.030  -2.962  -9.531
  176    HE1  HIS  23           HE1      HIS  23  57.806   0.031  -6.661
  177    H    TYR  24           HN       TYR  24  53.285  -6.241  -8.320
  178    HA   TYR  24           HA       TYR  24  52.530  -7.573  -5.927
  179    HB2  TYR  24           HB2      TYR  24  52.245  -8.435  -8.816
  180    HB3  TYR  24           HB1      TYR  24  51.432  -9.190  -7.446
  181    HD1  TYR  24           HD1      TYR  24  51.621  -6.191  -9.592
  182    HD2  TYR  24           HD2      TYR  24  49.635  -8.035  -6.232
  183    HE1  TYR  24           HE1      TYR  24  49.818  -4.476  -9.716
  184    HE2  TYR  24           HE2      TYR  24  47.833  -6.318  -6.356
  185    HH   TYR  24           HH       TYR  24  48.182  -3.463  -8.298
  186    H    LEU  25           HN       LEU  25  53.014  -9.693  -5.234
  187    HA   LEU  25           HA       LEU  25  55.719 -10.430  -5.308
  188    HB2  LEU  25           HB2      LEU  25  53.197 -11.890  -4.517
  189    HB3  LEU  25           HB1      LEU  25  54.759 -12.704  -4.468
  190    HG   LEU  25           HG       LEU  25  55.631 -10.920  -2.983
  191   HD11  LEU  25          HD11      LEU  25  52.811  -9.862  -3.298
  192   HD12  LEU  25          HD12      LEU  25  54.333  -9.008  -3.559
  193   HD13  LEU  25          HD13      LEU  25  53.826  -9.422  -1.924
  194   HD21  LEU  25          HD21      LEU  25  54.344 -11.583  -0.987
  195   HD22  LEU  25          HD22      LEU  25  54.614 -12.974  -2.036
  196   HD23  LEU  25          HD23      LEU  25  53.041 -12.178  -2.017
  Start of MODEL   37
    1    H1   GLY   1           HT1      GLY   1  38.460   9.570   3.497
    2    H2   GLY   1           HT2      GLY   1  37.373  10.843   3.792
    3    H3   GLY   1           HT3      GLY   1  37.259   9.399   4.682
    4    HA2  GLY   1           HA1      GLY   1  38.980   9.869   5.993
    5    HA3  GLY   1           HA2      GLY   1  39.764  10.840   4.753
    6    H    TRP   2           HN       TRP   2  39.943  12.096   6.936
    7    HA   TRP   2           HA       TRP   2  37.606  13.612   7.707
    8    HB2  TRP   2           HB2      TRP   2  40.531  13.893   8.433
    9    HB3  TRP   2           HB1      TRP   2  39.228  14.846   9.144
   10    HD1  TRP   2           HD1      TRP   2  40.078  11.101   8.620
   11    HE1  TRP   2           HE1      TRP   2  39.255   9.795  10.684
   12    HE3  TRP   2           HE3      TRP   2  37.927  14.919  11.267
   13    HZ2  TRP   2           HZ2      TRP   2  37.862  10.296  13.148
   14    HZ3  TRP   2           HZ3      TRP   2  36.857  14.481  13.472
   15    HH2  TRP   2           HH2      TRP   2  36.823  12.175  14.415
   16    H    GLY   3           HN       GLY   3  40.142  13.920   5.391
   17    HA2  GLY   3           HA1      GLY   3  38.983  16.078   4.049
   18    HA3  GLY   3           HA2      GLY   3  40.226  16.724   5.112
   19    H    SER   4           HN       SER   4  40.978  13.591   4.183
   20    HA   SER   4           HA       SER   4  42.704  12.765   2.902
   21    HB2  SER   4           HB2      SER   4  42.565  13.354   0.507
   22    HB3  SER   4           HB1      SER   4  40.981  12.985   1.181
   23    HG   SER   4           HG       SER   4  41.030  14.919  -0.095
   24    H    PHE   5           HN       PHE   5  43.797  14.463   4.596
   25    HA   PHE   5           HA       PHE   5  45.527  15.933   4.978
   26    HB2  PHE   5           HB2      PHE   5  46.392  14.979   2.238
   27    HB3  PHE   5           HB1      PHE   5  47.426  15.712   3.464
   28    HD1  PHE   5           HD1      PHE   5  48.128  14.473   5.447
   29    HD2  PHE   5           HD2      PHE   5  45.453  12.711   2.553
   30    HE1  PHE   5           HE1      PHE   5  48.476  12.236   6.487
   31    HE2  PHE   5           HE2      PHE   5  45.802  10.473   3.594
   32    HZ   PHE   5           HZ       PHE   5  47.342  10.231   5.538
   33    H    PHE   6           HN       PHE   6  47.044  17.479   3.166
   34    HA   PHE   6           HA       PHE   6  45.133  19.623   2.612
   35    HB2  PHE   6           HB2      PHE   6  48.141  19.614   2.267
   36    HB3  PHE   6           HB1      PHE   6  47.077  21.020   2.338
   37    HD1  PHE   6           HD1      PHE   6  48.662  18.308   4.286
   38    HD2  PHE   6           HD2      PHE   6  46.082  21.764   4.453
   39    HE1  PHE   6           HE1      PHE   6  48.866  18.340   6.769
   40    HE2  PHE   6           HE2      PHE   6  46.286  21.796   6.937
   41    HZ   PHE   6           HZ       PHE   6  47.607  20.030   8.097
   42    H    ARG   7           HN       ARG   7  47.000  20.698   0.534
   43    HA   ARG   7           HA       ARG   7  45.656  19.606  -1.751
   44    HB2  ARG   7           HB2      ARG   7  47.924  21.589  -1.473
   45    HB3  ARG   7           HB1      ARG   7  47.187  21.155  -3.017
   46    HG2  ARG   7           HG2      ARG   7  44.967  21.851  -2.105
   47    HG3  ARG   7           HG1      ARG   7  45.776  22.391  -0.633
   48    HD2  ARG   7           HD2      ARG   7  47.182  23.924  -2.013
   49    HD3  ARG   7           HD1      ARG   7  46.259  23.440  -3.437
   50    HE   ARG   7           HE       ARG   7  45.391  25.341  -1.455
   51   HH11  ARG   7          HH11      ARG   7  43.221  23.728  -0.767
   52   HH12  ARG   7          HH12      ARG   7  42.087  23.863  -2.070
   53   HH21  ARG   7          HH21      ARG   7  44.418  25.103  -4.319
   54   HH22  ARG   7          HH22      ARG   7  42.766  24.640  -4.082
   55    H    ARG   8           HN       ARG   8  47.827  18.128   0.026
   56    HA   ARG   8           HA       ARG   8  49.507  16.584  -0.308
   57    HB2  ARG   8           HB2      ARG   8  47.985  16.220  -2.900
   58    HB3  ARG   8           HB1      ARG   8  49.126  15.068  -2.208
   59    HG2  ARG   8           HG2      ARG   8  47.722  14.793  -0.235
   60    HG3  ARG   8           HG1      ARG   8  46.613  16.036  -0.816
   61    HD2  ARG   8           HD2      ARG   8  46.145  14.639  -2.823
   62    HD3  ARG   8           HD1      ARG   8  47.185  13.379  -2.159
   63    HE   ARG   8           HE       ARG   8  45.228  14.041  -0.200
   64   HH11  ARG   8          HH11      ARG   8  45.937  11.292  -1.375
   65   HH12  ARG   8          HH12      ARG   8  44.410  10.825  -2.047
   66   HH21  ARG   8          HH21      ARG   8  43.073  14.021  -1.904
   67   HH22  ARG   8          HH22      ARG   8  42.788  12.371  -2.345
   68    H    ALA   9           HN       ALA   9  50.205  19.251  -1.045
   69    HA   ALA   9           HA       ALA   9  51.439  19.449  -3.567
   70    HB1  ALA   9           HB1      ALA   9  52.720  21.295  -2.566
   71    HB2  ALA   9           HB2      ALA   9  52.165  20.802  -0.966
   72    HB3  ALA   9           HB3      ALA   9  51.008  21.395  -2.158
   73    H    ALA  10           HN       ALA  10  53.131  18.406  -4.373
   74    HA   ALA  10           HA       ALA  10  55.006  17.085  -4.516
   75    HB1  ALA  10           HB1      ALA  10  55.803  18.619  -2.039
   76    HB2  ALA  10           HB2      ALA  10  55.996  19.202  -3.693
   77    HB3  ALA  10           HB3      ALA  10  56.885  17.780  -3.149
   78    H    HIS  11           HN       HIS  11  52.770  15.983  -3.084
   79    HA   HIS  11           HA       HIS  11  52.220  14.250  -1.673
   80    HB2  HIS  11           HB2      HIS  11  55.087  13.478  -2.272
   81    HB3  HIS  11           HB1      HIS  11  53.856  12.406  -1.605
   82    HD1  HIS  11           HD1      HIS  11  54.648  14.380  -4.741
   83    HD2  HIS  11           HD2      HIS  11  52.023  11.398  -3.489
   84    HE1  HIS  11           HE1      HIS  11  53.520  13.496  -6.829
   85    H    VAL  12           HN       VAL  12  51.972  15.575   0.191
   86    HA   VAL  12           HA       VAL  12  53.941  16.444   1.932
   87    HB   VAL  12           HB       VAL  12  51.566  17.051   2.199
   88   HG11  VAL  12          HG11      VAL  12  51.200  14.240   3.278
   89   HG12  VAL  12          HG12      VAL  12  50.693  14.752   1.669
   90   HG13  VAL  12          HG13      VAL  12  49.959  15.479   3.097
   91   HG21  VAL  12          HG21      VAL  12  52.539  15.595   4.675
   92   HG22  VAL  12          HG22      VAL  12  51.526  17.035   4.605
   93   HG23  VAL  12          HG23      VAL  12  53.221  17.126   4.129
   94    H    GLY  13           HN       GLY  13  52.766  13.224   1.385
   95    HA2  GLY  13           HA1      GLY  13  53.583  12.018   3.802
   96    HA3  GLY  13           HA2      GLY  13  53.344  11.191   2.269
   97    H    ARG  14           HN       ARG  14  55.170  11.773   0.614
   98    HA   ARG  14           HA       ARG  14  57.360  11.331   0.060
   99    HB2  ARG  14           HB2      ARG  14  57.472  13.701   0.880
  100    HB3  ARG  14           HB1      ARG  14  57.953  13.076   2.458
  101    HG2  ARG  14           HG2      ARG  14  59.909  11.984   1.451
  102    HG3  ARG  14           HG1      ARG  14  59.422  12.555  -0.145
  103    HD2  ARG  14           HD2      ARG  14  61.180  13.991   0.907
  104    HD3  ARG  14           HD1      ARG  14  59.693  14.873   0.549
  105    HE   ARG  14           HE       ARG  14  59.465  13.922   3.201
  106   HH11  ARG  14          HH11      ARG  14  62.459  14.784   2.735
  107   HH12  ARG  14          HH12      ARG  14  62.404  16.373   3.423
  108   HH21  ARG  14          HH21      ARG  14  58.939  16.514   3.482
  109   HH22  ARG  14          HH22      ARG  14  60.410  17.352   3.846
  110    H    HIS  15           HN       HIS  15  56.943   9.077   0.798
  111    HA   HIS  15           HA       HIS  15  57.864   8.238   3.382
  112    HB2  HIS  15           HB2      HIS  15  57.497   6.547   0.900
  113    HB3  HIS  15           HB1      HIS  15  57.506   5.997   2.576
  114    HD1  HIS  15           HD1      HIS  15  55.491   8.315   0.319
  115    HD2  HIS  15           HD2      HIS  15  54.986   5.954   3.715
  116    HE1  HIS  15           HE1      HIS  15  53.034   8.442   0.921
  117    H    VAL  16           HN       VAL  16  59.325   5.896   2.358
  118    HA   VAL  16           HA       VAL  16  61.960   6.886   2.579
  119    HB   VAL  16           HB       VAL  16  62.648   4.588   1.832
  120   HG11  VAL  16          HG11      VAL  16  60.421   4.652   3.891
  121   HG12  VAL  16          HG12      VAL  16  62.095   5.110   4.203
  122   HG13  VAL  16          HG13      VAL  16  61.701   3.444   3.780
  123   HG21  VAL  16          HG21      VAL  16  59.644   4.269   1.529
  124   HG22  VAL  16          HG22      VAL  16  60.793   2.932   1.522
  125   HG23  VAL  16          HG23      VAL  16  60.846   4.146   0.245
  126    H    GLY  17           HN       GLY  17  59.819   6.942  -0.018
  127    HA2  GLY  17           HA1      GLY  17  61.719   8.100  -1.780
  128    HA3  GLY  17           HA2      GLY  17  61.365   6.447  -2.261
  129    H    ARG  18           HN       ARG  18  59.124   8.733  -0.778
  130    HA   ARG  18           HA       ARG  18  57.093   9.539  -1.484
  131    HB2  ARG  18           HB2      ARG  18  58.677  10.762  -3.031
  132    HB3  ARG  18           HB1      ARG  18  58.337   9.524  -4.241
  133    HG2  ARG  18           HG2      ARG  18  55.955  10.074  -4.188
  134    HG3  ARG  18           HG1      ARG  18  56.229  11.245  -2.897
  135    HD2  ARG  18           HD2      ARG  18  56.067  12.348  -5.111
  136    HD3  ARG  18           HD1      ARG  18  57.656  12.580  -4.383
  137    HE   ARG  18           HE       ARG  18  58.559  11.403  -6.204
  138   HH11  ARG  18          HH11      ARG  18  55.221  11.466  -6.554
  139   HH12  ARG  18          HH12      ARG  18  55.124  10.068  -7.572
  140   HH21  ARG  18          HH21      ARG  18  58.460   9.215  -7.168
  141   HH22  ARG  18          HH22      ARG  18  56.958   8.793  -7.919
  142    H    ALA  19           HN       ALA  19  56.480   7.194  -0.973
  143    HA   ALA  19           HA       ALA  19  55.854   5.499  -3.244
  144    HB1  ALA  19           HB1      ALA  19  54.821   4.048  -1.521
  145    HB2  ALA  19           HB2      ALA  19  55.160   5.285  -0.310
  146    HB3  ALA  19           HB3      ALA  19  56.490   4.474  -1.138
  147    H    ALA  20           HN       ALA  20  53.692   4.820  -3.784
  148    HA   ALA  20           HA       ALA  20  51.380   6.126  -2.761
  149    HB1  ALA  20           HB1      ALA  20  52.444   7.115  -5.409
  150    HB2  ALA  20           HB2      ALA  20  52.276   8.057  -3.928
  151    HB3  ALA  20           HB3      ALA  20  50.841   7.470  -4.766
  152    H    LEU  21           HN       LEU  21  52.964   3.852  -4.624
  153    HA   LEU  21           HA       LEU  21  50.864   3.066  -6.395
  154    HB2  LEU  21           HB2      LEU  21  53.041   1.247  -5.358
  155    HB3  LEU  21           HB1      LEU  21  52.222   1.196  -6.918
  156    HG   LEU  21           HG       LEU  21  54.129   3.350  -5.956
  157   HD11  LEU  21          HD11      LEU  21  55.521   2.527  -7.838
  158   HD12  LEU  21          HD12      LEU  21  54.327   1.269  -8.155
  159   HD13  LEU  21          HD13      LEU  21  55.230   1.265  -6.641
  160   HD21  LEU  21          HD21      LEU  21  52.399   3.117  -8.435
  161   HD22  LEU  21          HD22      LEU  21  53.850   4.120  -8.404
  162   HD23  LEU  21          HD23      LEU  21  52.514   4.470  -7.310
  163    H    THR  22           HN       THR  22  52.150   1.382  -3.516
  164    HA   THR  22           HA       THR  22  49.869  -0.313  -3.280
  165    HB   THR  22           HB       THR  22  50.868  -1.148  -1.282
  166    HG1  THR  22           HG1      THR  22  51.947   1.423  -1.200
  167   HG21  THR  22          HG21      THR  22  52.153  -1.605  -3.353
  168   HG22  THR  22          HG22      THR  22  53.201  -1.514  -1.938
  169   HG23  THR  22          HG23      THR  22  53.114  -0.156  -3.059
  170    H    HIS  23           HN       HIS  23  48.185  -0.263  -1.782
  171    HA   HIS  23           HA       HIS  23  47.872   1.781   0.177
  172    HB2  HIS  23           HB2      HIS  23  46.031   3.025  -0.887
  173    HB3  HIS  23           HB1      HIS  23  47.530   3.195  -1.801
  174    HD1  HIS  23           HD1      HIS  23  47.760   1.233  -3.791
  175    HD2  HIS  23           HD2      HIS  23  43.925   2.188  -2.466
  176    HE1  HIS  23           HE1      HIS  23  46.162   0.461  -5.599
  177    H    TYR  24           HN       TYR  24  45.321   1.912   0.687
  178    HA   TYR  24           HA       TYR  24  43.903  -0.576   0.242
  179    HB2  TYR  24           HB2      TYR  24  45.031   0.097   2.971
  180    HB3  TYR  24           HB1      TYR  24  43.756  -1.089   2.697
  181    HD1  TYR  24           HD1      TYR  24  44.221  -2.999   1.010
  182    HD2  TYR  24           HD2      TYR  24  47.317  -0.529   2.726
  183    HE1  TYR  24           HE1      TYR  24  45.921  -4.723   0.425
  184    HE2  TYR  24           HE2      TYR  24  49.017  -2.254   2.143
  185    HH   TYR  24           HH       TYR  24  48.689  -4.706   0.144
  186    H    LEU  25           HN       LEU  25  43.598   1.243   3.204
  187    HA   LEU  25           HA       LEU  25  41.828   2.448   4.049
  188    HB2  LEU  25           HB2      LEU  25  41.640   3.679   1.297
  189    HB3  LEU  25           HB1      LEU  25  41.307   4.431   2.856
  190    HG   LEU  25           HG       LEU  25  44.024   3.532   1.847
  191   HD11  LEU  25          HD11      LEU  25  42.847   6.278   2.380
  192   HD12  LEU  25          HD12      LEU  25  43.208   5.595   0.795
  193   HD13  LEU  25          HD13      LEU  25  44.519   5.962   1.916
  194   HD21  LEU  25          HD21      LEU  25  44.048   3.204   4.210
  195   HD22  LEU  25          HD22      LEU  25  43.092   4.657   4.503
  196   HD23  LEU  25          HD23      LEU  25  44.768   4.794   3.971
  Start of MODEL   38
    1    H1   GLY   1           HT1      GLY   1  46.758  14.595  10.278
    2    H2   GLY   1           HT2      GLY   1  45.878  15.340   9.030
    3    H3   GLY   1           HT3      GLY   1  47.433  14.723   8.729
    4    HA2  GLY   1           HA1      GLY   1  45.967  13.203   7.826
    5    HA3  GLY   1           HA2      GLY   1  46.577  12.508   9.321
    6    H    TRP   2           HN       TRP   2  44.027  14.875   8.539
    7    HA   TRP   2           HA       TRP   2  41.889  13.139   9.268
    8    HB2  TRP   2           HB2      TRP   2  42.807  13.514  11.526
    9    HB3  TRP   2           HB1      TRP   2  42.650  15.256  11.297
   10    HD1  TRP   2           HD1      TRP   2  40.268  12.230  10.814
   11    HE1  TRP   2           HE1      TRP   2  37.979  12.847  11.832
   12    HE3  TRP   2           HE3      TRP   2  41.297  16.961  12.478
   13    HZ2  TRP   2           HZ2      TRP   2  36.736  15.060  13.181
   14    HZ3  TRP   2           HZ3      TRP   2  39.546  18.306  13.628
   15    HH2  TRP   2           HH2      TRP   2  37.269  17.360  13.980
   16    H    GLY   3           HN       GLY   3  42.077  14.508   7.028
   17    HA2  GLY   3           HA1      GLY   3  40.759  15.848   5.695
   18    HA3  GLY   3           HA2      GLY   3  39.839  16.303   7.123
   19    H    SER   4           HN       SER   4  42.840  16.878   8.100
   20    HA   SER   4           HA       SER   4  42.672  19.660   8.060
   21    HB2  SER   4           HB2      SER   4  45.137  17.913   8.241
   22    HB3  SER   4           HB1      SER   4  45.084  19.630   8.632
   23    HG   SER   4           HG       SER   4  43.387  17.687   9.812
   24    H    PHE   5           HN       PHE   5  44.446  17.481   5.879
   25    HA   PHE   5           HA       PHE   5  45.659  19.453   4.285
   26    HB2  PHE   5           HB2      PHE   5  44.766  16.646   3.590
   27    HB3  PHE   5           HB1      PHE   5  45.779  17.651   2.553
   28    HD1  PHE   5           HD1      PHE   5  48.063  18.324   3.267
   29    HD2  PHE   5           HD2      PHE   5  45.641  15.637   5.625
   30    HE1  PHE   5           HE1      PHE   5  50.080  17.637   4.559
   31    HE2  PHE   5           HE2      PHE   5  47.659  14.953   6.916
   32    HZ   PHE   5           HZ       PHE   5  49.892  15.888   6.324
   33    H    PHE   6           HN       PHE   6  44.913  20.775   2.739
   34    HA   PHE   6           HA       PHE   6  42.643  20.170   1.107
   35    HB2  PHE   6           HB2      PHE   6  41.573  20.848   3.302
   36    HB3  PHE   6           HB1      PHE   6  42.270  22.450   3.061
   37    HD1  PHE   6           HD1      PHE   6  41.491  23.921   1.253
   38    HD2  PHE   6           HD2      PHE   6  39.785  20.002   1.846
   39    HE1  PHE   6           HE1      PHE   6  39.597  24.516  -0.255
   40    HE2  PHE   6           HE2      PHE   6  37.892  20.597   0.339
   41    HZ   PHE   6           HZ       PHE   6  37.852  22.819  -0.786
   42    H    ARG   7           HN       ARG   7  44.906  22.555   2.370
   43    HA   ARG   7           HA       ARG   7  44.642  24.563   0.452
   44    HB2  ARG   7           HB2      ARG   7  47.222  23.642   1.736
   45    HB3  ARG   7           HB1      ARG   7  46.895  25.234   1.056
   46    HG2  ARG   7           HG2      ARG   7  45.377  24.019   3.388
   47    HG3  ARG   7           HG1      ARG   7  46.701  25.169   3.555
   48    HD2  ARG   7           HD2      ARG   7  44.839  26.589   3.640
   49    HD3  ARG   7           HD1      ARG   7  45.231  26.653   1.922
   50    HE   ARG   7           HE       ARG   7  43.337  24.529   2.600
   51   HH11  ARG   7          HH11      ARG   7  42.845  25.462   0.036
   52   HH12  ARG   7          HH12      ARG   7  41.668  26.725   0.185
   53   HH21  ARG   7          HH21      ARG   7  42.221  27.198   3.576
   54   HH22  ARG   7          HH22      ARG   7  41.314  27.706   2.190
   55    H    ARG   8           HN       ARG   8  46.429  21.522   0.338
   56    HA   ARG   8           HA       ARG   8  47.540  20.457  -1.368
   57    HB2  ARG   8           HB2      ARG   8  45.124  20.607  -2.211
   58    HB3  ARG   8           HB1      ARG   8  45.666  21.949  -3.215
   59    HG2  ARG   8           HG2      ARG   8  47.341  20.505  -4.286
   60    HG3  ARG   8           HG1      ARG   8  46.867  19.162  -3.244
   61    HD2  ARG   8           HD2      ARG   8  45.745  18.869  -5.362
   62    HD3  ARG   8           HD1      ARG   8  44.532  19.367  -4.182
   63    HE   ARG   8           HE       ARG   8  45.661  21.645  -5.573
   64   HH11  ARG   8          HH11      ARG   8  44.525  19.205  -7.324
   65   HH12  ARG   8          HH12      ARG   8  43.007  19.906  -7.773
   66   HH21  ARG   8          HH21      ARG   8  43.221  22.494  -5.476
   67   HH22  ARG   8          HH22      ARG   8  42.269  21.768  -6.727
   68    H    ALA   9           HN       ALA   9  49.090  22.404  -0.559
   69    HA   ALA   9           HA       ALA   9  49.717  24.345  -2.605
   70    HB1  ALA   9           HB1      ALA   9  50.069  24.710  -0.151
   71    HB2  ALA   9           HB2      ALA   9  51.493  25.026  -1.141
   72    HB3  ALA   9           HB3      ALA   9  51.375  23.529  -0.218
   73    H    ALA  10           HN       ALA  10  51.231  21.380  -1.355
   74    HA   ALA  10           HA       ALA  10  52.270  20.662  -3.913
   75    HB1  ALA  10           HB1      ALA  10  54.273  21.612  -1.859
   76    HB2  ALA  10           HB2      ALA  10  53.850  22.471  -3.341
   77    HB3  ALA  10           HB3      ALA  10  54.645  20.898  -3.427
   78    H    HIS  11           HN       HIS  11  51.513  20.106  -0.698
   79    HA   HIS  11           HA       HIS  11  53.059  17.774  -0.168
   80    HB2  HIS  11           HB2      HIS  11  51.905  19.142   1.578
   81    HB3  HIS  11           HB1      HIS  11  50.363  18.524   0.985
   82    HD1  HIS  11           HD1      HIS  11  49.727  16.124   1.594
   83    HD2  HIS  11           HD2      HIS  11  53.542  17.179   2.897
   84    HE1  HIS  11           HE1      HIS  11  50.516  14.245   3.099
   85    H    VAL  12           HN       VAL  12  49.607  18.130  -1.009
   86    HA   VAL  12           HA       VAL  12  48.138  16.714  -2.057
   87    HB   VAL  12           HB       VAL  12  50.626  15.595  -3.387
   88   HG11  VAL  12          HG11      VAL  12  47.676  15.540  -4.078
   89   HG12  VAL  12          HG12      VAL  12  48.718  14.158  -3.740
   90   HG13  VAL  12          HG13      VAL  12  48.952  15.099  -5.213
   91   HG21  VAL  12          HG21      VAL  12  50.095  17.223  -5.182
   92   HG22  VAL  12          HG22      VAL  12  50.464  18.039  -3.662
   93   HG23  VAL  12          HG23      VAL  12  48.790  17.876  -4.192
   94    H    GLY  13           HN       GLY  13  50.881  14.463  -1.987
   95    HA2  GLY  13           HA1      GLY  13  50.150  13.039   0.316
   96    HA3  GLY  13           HA2      GLY  13  49.362  12.291  -1.066
   97    H    ARG  14           HN       ARG  14  52.441  13.877  -1.406
   98    HA   ARG  14           HA       ARG  14  53.691  11.648  -2.583
   99    HB2  ARG  14           HB2      ARG  14  55.064  13.975  -1.221
  100    HB3  ARG  14           HB1      ARG  14  55.727  12.939  -2.485
  101    HG2  ARG  14           HG2      ARG  14  53.922  13.713  -4.020
  102    HG3  ARG  14           HG1      ARG  14  53.365  14.819  -2.765
  103    HD2  ARG  14           HD2      ARG  14  55.454  16.027  -2.800
  104    HD3  ARG  14           HD1      ARG  14  56.186  14.829  -3.867
  105    HE   ARG  14           HE       ARG  14  54.459  17.010  -4.697
  106   HH11  ARG  14          HH11      ARG  14  52.730  15.267  -5.943
  107   HH12  ARG  14          HH12      ARG  14  53.541  14.674  -7.354
  108   HH21  ARG  14          HH21      ARG  14  56.695  15.603  -6.254
  109   HH22  ARG  14          HH22      ARG  14  55.787  14.863  -7.529
  110    H    HIS  15           HN       HIS  15  56.241  11.893  -1.087
  111    HA   HIS  15           HA       HIS  15  57.373  10.667   0.490
  112    HB2  HIS  15           HB2      HIS  15  56.385  12.352   1.979
  113    HB3  HIS  15           HB1      HIS  15  54.937  11.360   2.153
  114    HD1  HIS  15           HD1      HIS  15  57.789   9.173   1.957
  115    HD2  HIS  15           HD2      HIS  15  56.061  11.443   4.995
  116    HE1  HIS  15           HE1      HIS  15  58.636   8.209   4.141
  117    H    VAL  16           HN       VAL  16  54.210   9.750   1.758
  118    HA   VAL  16           HA       VAL  16  54.880   6.953   1.586
  119    HB   VAL  16           HB       VAL  16  52.528   6.635   2.466
  120   HG11  VAL  16          HG11      VAL  16  54.382   6.786   4.022
  121   HG12  VAL  16          HG12      VAL  16  53.040   7.727   4.672
  122   HG13  VAL  16          HG13      VAL  16  54.397   8.545   3.898
  123   HG21  VAL  16          HG21      VAL  16  52.572   9.669   2.583
  124   HG22  VAL  16          HG22      VAL  16  51.274   8.611   3.137
  125   HG23  VAL  16          HG23      VAL  16  51.635   8.738   1.415
  126    H    GLY  17           HN       GLY  17  53.503   9.208  -0.534
  127    HA2  GLY  17           HA1      GLY  17  51.666   7.515  -1.905
  128    HA3  GLY  17           HA2      GLY  17  52.321   9.037  -2.495
  129    H    ARG  18           HN       ARG  18  54.903   8.711  -2.818
  130    HA   ARG  18           HA       ARG  18  55.171   7.151  -5.137
  131    HB2  ARG  18           HB2      ARG  18  56.623   9.097  -4.469
  132    HB3  ARG  18           HB1      ARG  18  57.420   8.028  -3.315
  133    HG2  ARG  18           HG2      ARG  18  58.100   6.525  -5.117
  134    HG3  ARG  18           HG1      ARG  18  57.225   7.507  -6.294
  135    HD2  ARG  18           HD2      ARG  18  58.686   9.459  -5.606
  136    HD3  ARG  18           HD1      ARG  18  59.651   8.315  -4.672
  137    HE   ARG  18           HE       ARG  18  59.401   7.333  -7.341
  138   HH11  ARG  18          HH11      ARG  18  60.052  10.490  -6.964
  139   HH12  ARG  18          HH12      ARG  18  61.730  10.433  -7.389
  140   HH21  ARG  18          HH21      ARG  18  61.916   6.973  -7.261
  141   HH22  ARG  18          HH22      ARG  18  62.785   8.442  -7.557
  142    H    ALA  19           HN       ALA  19  56.312   6.538  -1.818
  143    HA   ALA  19           HA       ALA  19  57.527   4.058  -2.292
  144    HB1  ALA  19           HB1      ALA  19  57.171   3.668   0.139
  145    HB2  ALA  19           HB2      ALA  19  56.156   5.110   0.186
  146    HB3  ALA  19           HB3      ALA  19  57.867   5.248  -0.216
  147    H    ALA  20           HN       ALA  20  56.731   2.126  -2.804
  148    HA   ALA  20           HA       ALA  20  54.266   1.112  -1.785
  149    HB1  ALA  20           HB1      ALA  20  53.447   2.706  -3.536
  150    HB2  ALA  20           HB2      ALA  20  52.976   1.029  -3.810
  151    HB3  ALA  20           HB3      ALA  20  54.298   1.736  -4.739
  152    H    LEU  21           HN       LEU  21  56.920   0.220  -1.804
  153    HA   LEU  21           HA       LEU  21  57.357  -1.711  -3.881
  154    HB2  LEU  21           HB2      LEU  21  58.645  -1.753  -1.148
  155    HB3  LEU  21           HB1      LEU  21  59.308  -2.319  -2.681
  156    HG   LEU  21           HG       LEU  21  58.730   0.570  -1.951
  157   HD11  LEU  21          HD11      LEU  21  60.720  -0.535  -0.855
  158   HD12  LEU  21          HD12      LEU  21  61.125   0.838  -1.887
  159   HD13  LEU  21          HD13      LEU  21  61.378  -0.807  -2.469
  160   HD21  LEU  21          HD21      LEU  21  59.742  -0.754  -4.483
  161   HD22  LEU  21          HD22      LEU  21  60.037   0.950  -4.134
  162   HD23  LEU  21          HD23      LEU  21  58.387   0.361  -4.308
  163    H    THR  22           HN       THR  22  56.111  -1.824  -0.569
  164    HA   THR  22           HA       THR  22  55.792  -4.683  -0.547
  165    HB   THR  22           HB       THR  22  54.477  -2.632   1.260
  166    HG1  THR  22           HG1      THR  22  56.664  -2.394   1.432
  167   HG21  THR  22          HG21      THR  22  54.471  -4.596   2.839
  168   HG22  THR  22          HG22      THR  22  54.983  -5.608   1.489
  169   HG23  THR  22          HG23      THR  22  53.420  -4.794   1.438
  170    H    HIS  23           HN       HIS  23  54.552  -5.198  -2.374
  171    HA   HIS  23           HA       HIS  23  52.159  -3.998  -3.169
  172    HB2  HIS  23           HB2      HIS  23  51.657  -6.218  -4.231
  173    HB3  HIS  23           HB1      HIS  23  53.260  -5.587  -4.611
  174    HD1  HIS  23           HD1      HIS  23  55.309  -6.731  -3.449
  175    HD2  HIS  23           HD2      HIS  23  51.658  -8.614  -2.753
  176    HE1  HIS  23           HE1      HIS  23  55.848  -8.983  -2.423
  177    H    TYR  24           HN       TYR  24  50.150  -5.812  -3.209
  178    HA   TYR  24           HA       TYR  24  49.578  -7.000  -0.681
  179    HB2  TYR  24           HB2      TYR  24  47.780  -5.441   0.012
  180    HB3  TYR  24           HB1      TYR  24  49.371  -4.681   0.049
  181    HD1  TYR  24           HD1      TYR  24  50.047  -3.049  -1.685
  182    HD2  TYR  24           HD2      TYR  24  46.098  -4.791  -1.633
  183    HE1  TYR  24           HE1      TYR  24  49.255  -1.301  -3.274
  184    HE2  TYR  24           HE2      TYR  24  45.306  -3.042  -3.221
  185    HH   TYR  24           HH       TYR  24  45.918  -0.850  -4.045
  186    H    LEU  25           HN       LEU  25  47.503  -8.020  -0.638
  187    HA   LEU  25           HA       LEU  25  45.657  -7.778  -2.806
  188    HB2  LEU  25           HB2      LEU  25  47.314  -8.958  -4.085
  189    HB3  LEU  25           HB1      LEU  25  47.575 -10.120  -2.790
  190    HG   LEU  25           HG       LEU  25  45.390 -11.095  -3.118
  191   HD11  LEU  25          HD11      LEU  25  43.971  -9.237  -3.554
  192   HD12  LEU  25          HD12      LEU  25  43.951 -10.166  -5.051
  193   HD13  LEU  25          HD13      LEU  25  44.942  -8.711  -4.930
  194   HD21  LEU  25          HD21      LEU  25  45.624 -11.957  -5.370
  195   HD22  LEU  25          HD22      LEU  25  47.241 -11.713  -4.709
  196   HD23  LEU  25          HD23      LEU  25  46.573 -10.554  -5.858
  Start of MODEL   39
    1    H1   GLY   1           HT1      GLY   1  54.687  29.326   2.940
    2    H2   GLY   1           HT2      GLY   1  53.041  29.717   3.094
    3    H3   GLY   1           HT3      GLY   1  53.815  29.855   1.588
    4    HA2  GLY   1           HA1      GLY   1  52.819  27.916   1.254
    5    HA3  GLY   1           HA2      GLY   1  54.310  27.361   2.002
    6    H    TRP   2           HN       TRP   2  50.918  27.474   2.221
    7    HA   TRP   2           HA       TRP   2  50.669  26.967   5.037
    8    HB2  TRP   2           HB2      TRP   2  48.707  26.414   2.798
    9    HB3  TRP   2           HB1      TRP   2  48.335  26.467   4.521
   10    HD1  TRP   2           HD1      TRP   2  48.678  28.630   1.511
   11    HE1  TRP   2           HE1      TRP   2  48.390  31.110   2.155
   12    HE3  TRP   2           HE3      TRP   2  48.892  28.235   6.611
   13    HZ2  TRP   2           HZ2      TRP   2  48.263  32.728   4.527
   14    HZ3  TRP   2           HZ3      TRP   2  48.685  30.262   8.043
   15    HH2  TRP   2           HH2      TRP   2  48.371  32.505   7.007
   16    H    GLY   3           HN       GLY   3  52.411  25.274   5.002
   17    HA2  GLY   3           HA1      GLY   3  52.935  23.070   5.382
   18    HA3  GLY   3           HA2      GLY   3  51.229  22.691   5.179
   19    H    SER   4           HN       SER   4  51.791  24.301   2.483
   20    HA   SER   4           HA       SER   4  51.990  23.664   0.283
   21    HB2  SER   4           HB2      SER   4  54.382  23.701   0.983
   22    HB3  SER   4           HB1      SER   4  54.263  21.986   1.367
   23    HG   SER   4           HG       SER   4  54.712  21.723  -0.668
   24    H    PHE   5           HN       PHE   5  49.887  22.450   0.955
   25    HA   PHE   5           HA       PHE   5  50.018  19.587   1.118
   26    HB2  PHE   5           HB2      PHE   5  47.546  19.737   0.734
   27    HB3  PHE   5           HB1      PHE   5  48.115  20.726   2.080
   28    HD1  PHE   5           HD1      PHE   5  48.016  23.147   2.003
   29    HD2  PHE   5           HD2      PHE   5  46.993  20.789  -1.466
   30    HE1  PHE   5           HE1      PHE   5  47.077  25.175   0.901
   31    HE2  PHE   5           HE2      PHE   5  46.055  22.817  -2.567
   32    HZ   PHE   5           HZ       PHE   5  46.149  25.020  -1.407
   33    H    PHE   6           HN       PHE   6  48.389  18.455  -0.579
   34    HA   PHE   6           HA       PHE   6  48.774  19.337  -3.318
   35    HB2  PHE   6           HB2      PHE   6  50.119  16.810  -2.323
   36    HB3  PHE   6           HB1      PHE   6  49.986  17.299  -4.012
   37    HD1  PHE   6           HD1      PHE   6  51.853  17.694  -0.925
   38    HD2  PHE   6           HD2      PHE   6  51.006  19.526  -4.742
   39    HE1  PHE   6           HE1      PHE   6  53.889  19.112  -0.697
   40    HE2  PHE   6           HE2      PHE   6  53.040  20.946  -4.511
   41    HZ   PHE   6           HZ       PHE   6  54.442  20.787  -2.456
   42    H    ARG   7           HN       ARG   7  48.074  16.433  -1.357
   43    HA   ARG   7           HA       ARG   7  46.092  15.473  -3.208
   44    HB2  ARG   7           HB2      ARG   7  46.579  14.624  -0.345
   45    HB3  ARG   7           HB1      ARG   7  45.722  13.714  -1.589
   46    HG2  ARG   7           HG2      ARG   7  47.816  13.679  -2.949
   47    HG3  ARG   7           HG1      ARG   7  48.656  14.474  -1.617
   48    HD2  ARG   7           HD2      ARG   7  48.044  12.580  -0.130
   49    HD3  ARG   7           HD1      ARG   7  47.277  11.775  -1.499
   50    HE   ARG   7           HE       ARG   7  49.995  12.446  -2.154
   51   HH11  ARG   7          HH11      ARG   7  48.066  10.373  -0.187
   52   HH12  ARG   7          HH12      ARG   7  49.195   9.060  -0.232
   53   HH21  ARG   7          HH21      ARG   7  51.458  10.727  -2.261
   54   HH22  ARG   7          HH22      ARG   7  51.115   9.260  -1.407
   55    H    ARG   8           HN       ARG   8  45.972  16.920   0.051
   56    HA   ARG   8           HA       ARG   8  43.422  18.166  -0.531
   57    HB2  ARG   8           HB2      ARG   8  42.786  15.835   0.127
   58    HB3  ARG   8           HB1      ARG   8  43.554  16.114   1.690
   59    HG2  ARG   8           HG2      ARG   8  42.038  17.976   2.144
   60    HG3  ARG   8           HG1      ARG   8  41.308  17.800   0.549
   61    HD2  ARG   8           HD2      ARG   8  40.696  15.428   1.203
   62    HD3  ARG   8           HD1      ARG   8  41.206  15.828   2.844
   63    HE   ARG   8           HE       ARG   8  39.293  17.751   1.817
   64   HH11  ARG   8          HH11      ARG   8  39.185  17.007   4.626
   65   HH12  ARG   8          HH12      ARG   8  37.847  15.912   4.712
   66   HH21  ARG   8          HH21      ARG   8  37.778  15.306   1.299
   67   HH22  ARG   8          HH22      ARG   8  37.049  14.950   2.829
   68    H    ALA   9           HN       ALA   9  44.842  17.097   2.547
   69    HA   ALA   9           HA       ALA   9  46.129  19.558   3.144
   70    HB1  ALA   9           HB1      ALA   9  43.381  19.135   4.324
   71    HB2  ALA   9           HB2      ALA   9  43.903  20.467   3.292
   72    HB3  ALA   9           HB3      ALA   9  44.551  20.310   4.925
   73    H    ALA  10           HN       ALA  10  44.731  16.529   4.129
   74    HA   ALA  10           HA       ALA  10  46.967  15.969   5.859
   75    HB1  ALA  10           HB1      ALA  10  45.637  15.613   7.893
   76    HB2  ALA  10           HB2      ALA  10  44.211  16.246   7.071
   77    HB3  ALA  10           HB3      ALA  10  45.591  17.300   7.385
   78    H    HIS  11           HN       HIS  11  47.011  14.347   4.133
   79    HA   HIS  11           HA       HIS  11  46.652  12.230   3.316
   80    HB2  HIS  11           HB2      HIS  11  45.493  11.745   6.071
   81    HB3  HIS  11           HB1      HIS  11  46.092  10.520   4.952
   82    HD1  HIS  11           HD1      HIS  11  47.429  10.743   7.695
   83    HD2  HIS  11           HD2      HIS  11  48.731  12.907   4.380
   84    HE1  HIS  11           HE1      HIS  11  49.856  11.323   8.126
   85    H    VAL  12           HN       VAL  12  45.168  12.279   1.726
   86    HA   VAL  12           HA       VAL  12  42.522  13.069   1.850
   87    HB   VAL  12           HB       VAL  12  43.735  12.591  -0.271
   88   HG11  VAL  12          HG11      VAL  12  44.728  10.422   0.599
   89   HG12  VAL  12          HG12      VAL  12  44.069  10.340  -1.034
   90   HG13  VAL  12          HG13      VAL  12  43.156   9.676   0.320
   91   HG21  VAL  12          HG21      VAL  12  41.815  11.708  -1.467
   92   HG22  VAL  12          HG22      VAL  12  41.223  12.711  -0.143
   93   HG23  VAL  12          HG23      VAL  12  41.192  10.953  -0.001
   94    H    GLY  13           HN       GLY  13  43.965  10.134   2.983
   95    HA2  GLY  13           HA1      GLY  13  41.774   9.353   4.519
   96    HA3  GLY  13           HA2      GLY  13  41.687   8.467   3.003
   97    H    ARG  14           HN       ARG  14  44.858   8.987   3.349
   98    HA   ARG  14           HA       ARG  14  46.626   7.617   3.876
   99    HB2  ARG  14           HB2      ARG  14  46.103   8.423   6.134
  100    HB3  ARG  14           HB1      ARG  14  44.930   7.122   6.335
  101    HG2  ARG  14           HG2      ARG  14  46.642   5.441   6.230
  102    HG3  ARG  14           HG1      ARG  14  47.850   6.617   5.709
  103    HD2  ARG  14           HD2      ARG  14  47.837   7.704   7.849
  104    HD3  ARG  14           HD1      ARG  14  46.414   6.801   8.370
  105    HE   ARG  14           HE       ARG  14  49.138   5.863   8.520
  106   HH11  ARG  14          HH11      ARG  14  49.474   3.560   8.176
  107   HH12  ARG  14          HH12      ARG  14  48.137   2.516   8.523
  108   HH21  ARG  14          HH21      ARG  14  45.854   5.106   8.841
  109   HH22  ARG  14          HH22      ARG  14  46.087   3.391   8.900
  110    H    HIS  15           HN       HIS  15  46.524   6.053   2.299
  111    HA   HIS  15           HA       HIS  15  44.699   3.826   2.450
  112    HB2  HIS  15           HB2      HIS  15  47.162   4.223   0.731
  113    HB3  HIS  15           HB1      HIS  15  45.929   2.982   0.501
  114    HD1  HIS  15           HD1      HIS  15  43.876   3.633  -0.803
  115    HD2  HIS  15           HD2      HIS  15  46.049   6.966   0.435
  116    HE1  HIS  15           HE1      HIS  15  42.820   5.637  -1.934
  117    H    VAL  16           HN       VAL  16  45.436   3.376   4.753
  118    HA   VAL  16           HA       VAL  16  46.559   2.061   6.266
  119    HB   VAL  16           HB       VAL  16  47.342   0.369   3.874
  120   HG11  VAL  16          HG11      VAL  16  48.298  -0.182   6.127
  121   HG12  VAL  16          HG12      VAL  16  47.255  -1.452   5.486
  122   HG13  VAL  16          HG13      VAL  16  46.653  -0.363   6.736
  123   HG21  VAL  16          HG21      VAL  16  44.719   0.482   5.397
  124   HG22  VAL  16          HG22      VAL  16  45.163  -0.801   4.271
  125   HG23  VAL  16          HG23      VAL  16  44.959   0.852   3.689
  126    H    GLY  17           HN       GLY  17  48.044   4.076   6.158
  127    HA2  GLY  17           HA1      GLY  17  50.216   4.721   6.616
  128    HA3  GLY  17           HA2      GLY  17  50.766   3.117   6.150
  129    H    ARG  18           HN       ARG  18  48.802   5.277   4.176
  130    HA   ARG  18           HA       ARG  18  49.159   6.169   2.091
  131    HB2  ARG  18           HB2      ARG  18  52.039   6.430   2.967
  132    HB3  ARG  18           HB1      ARG  18  51.175   7.422   1.791
  133    HG2  ARG  18           HG2      ARG  18  49.603   8.090   3.669
  134    HG3  ARG  18           HG1      ARG  18  50.718   7.298   4.783
  135    HD2  ARG  18           HD2      ARG  18  51.330   9.618   4.744
  136    HD3  ARG  18           HD1      ARG  18  52.555   8.762   3.807
  137    HE   ARG  18           HE       ARG  18  50.560   9.574   1.982
  138   HH11  ARG  18          HH11      ARG  18  53.591  10.402   2.986
  139   HH12  ARG  18          HH12      ARG  18  53.480  12.089   2.607
  140   HH21  ARG  18          HH21      ARG  18  50.067  11.995   2.002
  141   HH22  ARG  18          HH22      ARG  18  51.483  12.990   2.050
  142    H    ALA  19           HN       ALA  19  49.081   3.458   2.015
  143    HA   ALA  19           HA       ALA  19  51.335   2.165   0.922
  144    HB1  ALA  19           HB1      ALA  19  48.390   1.601   0.551
  145    HB2  ALA  19           HB2      ALA  19  49.448   0.908   1.780
  146    HB3  ALA  19           HB3      ALA  19  49.692   0.509   0.080
  147    H    ALA  20           HN       ALA  20  51.616   1.438  -1.311
  148    HA   ALA  20           HA       ALA  20  50.265   2.835  -3.446
  149    HB1  ALA  20           HB1      ALA  20  52.142   4.102  -4.253
  150    HB2  ALA  20           HB2      ALA  20  53.185   3.456  -2.987
  151    HB3  ALA  20           HB3      ALA  20  51.865   4.549  -2.571
  152    H    LEU  21           HN       LEU  21  52.145   0.360  -2.193
  153    HA   LEU  21           HA       LEU  21  53.165  -1.500  -3.095
  154    HB2  LEU  21           HB2      LEU  21  51.274  -1.107  -5.419
  155    HB3  LEU  21           HB1      LEU  21  51.900  -2.620  -4.763
  156    HG   LEU  21           HG       LEU  21  50.004  -0.720  -3.347
  157   HD11  LEU  21          HD11      LEU  21  49.064  -2.086  -5.249
  158   HD12  LEU  21          HD12      LEU  21  48.335  -2.432  -3.682
  159   HD13  LEU  21          HD13      LEU  21  49.531  -3.536  -4.360
  160   HD21  LEU  21          HD21      LEU  21  49.868  -2.738  -1.740
  161   HD22  LEU  21          HD22      LEU  21  51.328  -1.756  -1.653
  162   HD23  LEU  21          HD23      LEU  21  51.354  -3.301  -2.506
  163    H    THR  22           HN       THR  22  55.232  -0.880  -3.570
  164    HA   THR  22           HA       THR  22  55.939  -0.683  -6.349
  165    HB   THR  22           HB       THR  22  55.436   1.655  -6.133
  166    HG1  THR  22           HG1      THR  22  57.518   2.530  -6.352
  167   HG21  THR  22          HG21      THR  22  56.524   2.990  -4.272
  168   HG22  THR  22          HG22      THR  22  56.946   1.451  -3.520
  169   HG23  THR  22          HG23      THR  22  55.252   1.886  -3.752
  170    H    HIS  23           HN       HIS  23  58.305  -0.594  -6.639
  171    HA   HIS  23           HA       HIS  23  60.077  -0.850  -4.425
  172    HB2  HIS  23           HB2      HIS  23  60.640  -3.312  -4.936
  173    HB3  HIS  23           HB1      HIS  23  59.172  -2.996  -4.014
  174    HD1  HIS  23           HD1      HIS  23  57.746  -4.931  -4.814
  175    HD2  HIS  23           HD2      HIS  23  59.363  -2.744  -7.975
  176    HE1  HIS  23           HE1      HIS  23  56.635  -5.787  -6.923
  177    H    TYR  24           HN       TYR  24  59.843   0.506  -7.003
  178    HA   TYR  24           HA       TYR  24  61.127   1.057  -8.830
  179    HB2  TYR  24           HB2      TYR  24  63.277  -0.218  -7.120
  180    HB3  TYR  24           HB1      TYR  24  63.567   0.811  -8.523
  181    HD1  TYR  24           HD1      TYR  24  62.533   0.710  -4.998
  182    HD2  TYR  24           HD2      TYR  24  62.946   3.218  -8.486
  183    HE1  TYR  24           HE1      TYR  24  62.309   2.737  -3.567
  184    HE2  TYR  24           HE2      TYR  24  62.721   5.245  -7.055
  185    HH   TYR  24           HH       TYR  24  62.966   5.287  -3.772
  186    H    LEU  25           HN       LEU  25  60.450  -0.117 -10.546
  187    HA   LEU  25           HA       LEU  25  62.071  -2.335 -11.415
  188    HB2  LEU  25           HB2      LEU  25  60.634  -3.619  -9.981
  189    HB3  LEU  25           HB1      LEU  25  59.199  -2.788 -10.569
  190    HG   LEU  25           HG       LEU  25  59.381  -3.837 -12.736
  191   HD11  LEU  25          HD11      LEU  25  62.088  -4.743 -11.728
  192   HD12  LEU  25          HD12      LEU  25  61.716  -3.836 -13.194
  193   HD13  LEU  25          HD13      LEU  25  61.288  -5.540 -13.084
  194   HD21  LEU  25          HD21      LEU  25  59.067  -6.155 -12.137
  195   HD22  LEU  25          HD22      LEU  25  58.452  -5.176 -10.804
  196   HD23  LEU  25          HD23      LEU  25  60.028  -5.959 -10.670
  Start of MODEL   40
    1    H1   GLY   1           HT1      GLY   1  55.644  18.569   1.302
    2    H2   GLY   1           HT2      GLY   1  54.345  19.518   0.754
    3    H3   GLY   1           HT3      GLY   1  54.062  18.188   1.775
    4    HA2  GLY   1           HA1      GLY   1  55.900  20.064   2.851
    5    HA3  GLY   1           HA2      GLY   1  54.307  20.740   2.537
    6    H    TRP   2           HN       TRP   2  54.007  20.962   4.808
    7    HA   TRP   2           HA       TRP   2  52.781  18.632   6.017
    8    HB2  TRP   2           HB2      TRP   2  55.266  19.874   7.222
    9    HB3  TRP   2           HB1      TRP   2  54.174  18.802   8.096
   10    HD1  TRP   2           HD1      TRP   2  56.941  18.820   5.549
   11    HE1  TRP   2           HE1      TRP   2  57.529  16.399   4.885
   12    HE3  TRP   2           HE3      TRP   2  53.060  16.337   7.783
   13    HZ2  TRP   2           HZ2      TRP   2  56.492  13.743   5.249
   14    HZ3  TRP   2           HZ3      TRP   2  52.881  13.859   7.612
   15    HH2  TRP   2           HH2      TRP   2  54.591  12.562   6.348
   16    H    GLY   3           HN       GLY   3  54.086  21.876   6.734
   17    HA2  GLY   3           HA1      GLY   3  51.968  22.486   8.584
   18    HA3  GLY   3           HA2      GLY   3  53.212  23.590   8.009
   19    H    SER   4           HN       SER   4  51.384  21.848   5.660
   20    HA   SER   4           HA       SER   4  49.325  23.851   5.324
   21    HB2  SER   4           HB2      SER   4  51.572  23.647   3.304
   22    HB3  SER   4           HB1      SER   4  50.063  24.521   3.050
   23    HG   SER   4           HG       SER   4  50.608  25.905   4.693
   24    H    PHE   5           HN       PHE   5  47.629  22.621   4.863
   25    HA   PHE   5           HA       PHE   5  47.545  20.947   2.556
   26    HB2  PHE   5           HB2      PHE   5  47.180  18.796   3.687
   27    HB3  PHE   5           HB1      PHE   5  48.792  19.423   4.032
   28    HD1  PHE   5           HD1      PHE   5  49.305  20.476   6.232
   29    HD2  PHE   5           HD2      PHE   5  45.497  18.611   5.429
   30    HE1  PHE   5           HE1      PHE   5  48.812  20.430   8.674
   31    HE2  PHE   5           HE2      PHE   5  45.004  18.564   7.871
   32    HZ   PHE   5           HZ       PHE   5  46.692  19.413   9.497
   33    H    PHE   6           HN       PHE   6  45.454  20.478   1.967
   34    HA   PHE   6           HA       PHE   6  43.255  20.729   3.849
   35    HB2  PHE   6           HB2      PHE   6  43.438  22.669   1.531
   36    HB3  PHE   6           HB1      PHE   6  42.153  22.572   2.734
   37    HD1  PHE   6           HD1      PHE   6  45.578  23.706   2.043
   38    HD2  PHE   6           HD2      PHE   6  42.568  23.229   5.098
   39    HE1  PHE   6           HE1      PHE   6  46.857  25.233   3.541
   40    HE2  PHE   6           HE2      PHE   6  43.846  24.754   6.596
   41    HZ   PHE   6           HZ       PHE   6  46.027  25.698   5.844
   42    H    ARG   7           HN       ARG   7  43.859  18.474   2.605
   43    HA   ARG   7           HA       ARG   7  43.126  16.857   1.139
   44    HB2  ARG   7           HB2      ARG   7  40.622  18.559   1.115
   45    HB3  ARG   7           HB1      ARG   7  40.734  16.847   0.706
   46    HG2  ARG   7           HG2      ARG   7  41.471  16.334   2.999
   47    HG3  ARG   7           HG1      ARG   7  41.384  18.046   3.415
   48    HD2  ARG   7           HD2      ARG   7  38.963  18.039   2.863
   49    HD3  ARG   7           HD1      ARG   7  39.062  16.313   2.520
   50    HE   ARG   7           HE       ARG   7  40.060  16.874   5.166
   51   HH11  ARG   7          HH11      ARG   7  38.682  16.532   6.933
   52   HH12  ARG   7          HH12      ARG   7  37.024  16.119   6.649
   53   HH21  ARG   7          HH21      ARG   7  37.277  16.375   3.200
   54   HH22  ARG   7          HH22      ARG   7  36.228  16.030   4.535
   55    H    ARG   8           HN       ARG   8  44.787  18.332  -0.223
   56    HA   ARG   8           HA       ARG   8  43.753  18.308  -2.898
   57    HB2  ARG   8           HB2      ARG   8  44.154  20.704  -3.381
   58    HB3  ARG   8           HB1      ARG   8  42.851  20.474  -2.214
   59    HG2  ARG   8           HG2      ARG   8  44.515  20.841  -0.372
   60    HG3  ARG   8           HG1      ARG   8  45.720  21.235  -1.598
   61    HD2  ARG   8           HD2      ARG   8  44.192  23.035  -2.440
   62    HD3  ARG   8           HD1      ARG   8  43.114  22.697  -1.086
   63    HE   ARG   8           HE       ARG   8  44.597  23.901   0.288
   64   HH11  ARG   8          HH11      ARG   8  45.672  24.767  -2.575
   65   HH12  ARG   8          HH12      ARG   8  47.371  24.708  -2.250
   66   HH21  ARG   8          HH21      ARG   8  47.010  22.968   0.727
   67   HH22  ARG   8          HH22      ARG   8  48.130  23.690  -0.380
   68    H    ALA   9           HN       ALA   9  46.302  19.221  -0.646
   69    HA   ALA   9           HA       ALA   9  48.402  19.567  -2.477
   70    HB1  ALA   9           HB1      ALA   9  49.871  19.003  -0.535
   71    HB2  ALA   9           HB2      ALA   9  48.422  18.579   0.376
   72    HB3  ALA   9           HB3      ALA   9  48.662  20.234  -0.180
   73    H    ALA  10           HN       ALA  10  49.033  16.954  -0.327
   74    HA   ALA  10           HA       ALA  10  48.518  14.792  -2.110
   75    HB1  ALA  10           HB1      ALA  10  51.373  15.769  -1.934
   76    HB2  ALA  10           HB2      ALA  10  50.350  15.802  -3.371
   77    HB3  ALA  10           HB3      ALA  10  50.853  14.259  -2.682
   78    H    HIS  11           HN       HIS  11  47.640  14.183  -0.017
   79    HA   HIS  11           HA       HIS  11  49.464  12.512   1.456
   80    HB2  HIS  11           HB2      HIS  11  49.902  14.729   2.494
   81    HB3  HIS  11           HB1      HIS  11  48.194  14.841   2.915
   82    HD1  HIS  11           HD1      HIS  11  47.902  14.260   5.315
   83    HD2  HIS  11           HD2      HIS  11  50.737  11.813   3.489
   84    HE1  HIS  11           HE1      HIS  11  48.685  12.627   7.085
   85    H    VAL  12           HN       VAL  12  46.377  14.222   2.032
   86    HA   VAL  12           HA       VAL  12  45.131  11.900   3.157
   87    HB   VAL  12           HB       VAL  12  43.776  14.393   2.086
   88   HG11  VAL  12          HG11      VAL  12  42.223  12.577   2.518
   89   HG12  VAL  12          HG12      VAL  12  42.075  13.754   3.823
   90   HG13  VAL  12          HG13      VAL  12  42.971  12.258   4.084
   91   HG21  VAL  12          HG21      VAL  12  44.796  13.808   4.886
   92   HG22  VAL  12          HG22      VAL  12  43.966  15.274   4.361
   93   HG23  VAL  12          HG23      VAL  12  45.576  14.902   3.745
   94    H    GLY  13           HN       GLY  13  45.560  10.365   1.431
   95    HA2  GLY  13           HA1      GLY  13  43.342   9.853  -0.184
   96    HA3  GLY  13           HA2      GLY  13  44.550  10.646  -1.187
   97    H    ARG  14           HN       ARG  14  46.628   9.637  -1.427
   98    HA   ARG  14           HA       ARG  14  46.441   6.706  -1.413
   99    HB2  ARG  14           HB2      ARG  14  48.421   6.804  -2.853
  100    HB3  ARG  14           HB1      ARG  14  47.152   7.857  -3.475
  101    HG2  ARG  14           HG2      ARG  14  48.267   9.767  -2.233
  102    HG3  ARG  14           HG1      ARG  14  49.616   8.674  -1.916
  103    HD2  ARG  14           HD2      ARG  14  48.577   9.529  -4.633
  104    HD3  ARG  14           HD1      ARG  14  50.124   9.968  -3.910
  105    HE   ARG  14           HE       ARG  14  49.546   7.482  -5.275
  106   HH11  ARG  14          HH11      ARG  14  50.656   5.584  -4.371
  107   HH12  ARG  14          HH12      ARG  14  52.200   5.880  -3.643
  108   HH21  ARG  14          HH21      ARG  14  51.824   9.326  -3.617
  109   HH22  ARG  14          HH22      ARG  14  52.861   7.998  -3.217
  110    H    HIS  15           HN       HIS  15  49.068   5.983  -1.290
  111    HA   HIS  15           HA       HIS  15  50.658   5.334   0.231
  112    HB2  HIS  15           HB2      HIS  15  51.433   7.634  -0.169
  113    HB3  HIS  15           HB1      HIS  15  50.375   8.217   1.117
  114    HD1  HIS  15           HD1      HIS  15  51.620   5.004   2.114
  115    HD2  HIS  15           HD2      HIS  15  53.106   8.895   2.244
  116    HE1  HIS  15           HE1      HIS  15  53.534   4.985   3.773
  117    H    VAL  16           HN       VAL  16  50.049   7.465   2.765
  118    HA   VAL  16           HA       VAL  16  49.533   5.577   4.697
  119    HB   VAL  16           HB       VAL  16  50.078   7.940   5.204
  120   HG11  VAL  16          HG11      VAL  16  47.172   8.516   4.560
  121   HG12  VAL  16          HG12      VAL  16  48.501   8.870   3.458
  122   HG13  VAL  16          HG13      VAL  16  48.417   9.675   5.025
  123   HG21  VAL  16          HG21      VAL  16  47.433   7.131   6.455
  124   HG22  VAL  16          HG22      VAL  16  48.699   8.120   7.182
  125   HG23  VAL  16          HG23      VAL  16  48.980   6.405   6.887
  126    H    GLY  17           HN       GLY  17  47.288   7.035   2.446
  127    HA2  GLY  17           HA1      GLY  17  44.899   6.256   3.778
  128    HA3  GLY  17           HA2      GLY  17  45.040   6.737   2.093
  129    H    ARG  18           HN       ARG  18  46.755   4.819   1.105
  130    HA   ARG  18           HA       ARG  18  46.019   2.165   1.839
  131    HB2  ARG  18           HB2      ARG  18  43.867   2.921   0.841
  132    HB3  ARG  18           HB1      ARG  18  44.715   3.245  -0.671
  133    HG2  ARG  18           HG2      ARG  18  45.345   0.905  -0.879
  134    HG3  ARG  18           HG1      ARG  18  44.654   0.544   0.704
  135    HD2  ARG  18           HD2      ARG  18  42.427   1.010  -0.072
  136    HD3  ARG  18           HD1      ARG  18  43.033   1.671  -1.591
  137    HE   ARG  18           HE       ARG  18  43.928  -1.033  -1.325
  138   HH11  ARG  18          HH11      ARG  18  41.324   1.016  -2.224
  139   HH12  ARG  18          HH12      ARG  18  40.409  -0.245  -2.981
  140   HH21  ARG  18          HH21      ARG  18  42.663  -2.743  -2.141
  141   HH22  ARG  18          HH22      ARG  18  41.167  -2.374  -2.932
  142    H    ALA  19           HN       ALA  19  48.289   1.951   1.665
  143    HA   ALA  19           HA       ALA  19  49.761   2.563  -0.681
  144    HB1  ALA  19           HB1      ALA  19  51.496   1.117   0.298
  145    HB2  ALA  19           HB2      ALA  19  50.335   0.550   1.500
  146    HB3  ALA  19           HB3      ALA  19  50.839   2.239   1.489
  147    H    ALA  20           HN       ALA  20  50.821   0.921  -2.079
  148    HA   ALA  20           HA       ALA  20  49.669  -1.687  -2.346
  149    HB1  ALA  20           HB1      ALA  20  48.648  -1.261  -4.592
  150    HB2  ALA  20           HB2      ALA  20  48.829   0.466  -4.287
  151    HB3  ALA  20           HB3      ALA  20  47.784  -0.507  -3.253
  152    H    LEU  21           HN       LEU  21  51.229   0.947  -4.173
  153    HA   LEU  21           HA       LEU  21  52.802  -0.872  -5.764
  154    HB2  LEU  21           HB2      LEU  21  53.365   2.073  -5.406
  155    HB3  LEU  21           HB1      LEU  21  53.673   1.056  -6.814
  156    HG   LEU  21           HG       LEU  21  50.959   1.907  -5.759
  157   HD11  LEU  21          HD11      LEU  21  52.297   3.605  -7.035
  158   HD12  LEU  21          HD12      LEU  21  50.795   3.148  -7.838
  159   HD13  LEU  21          HD13      LEU  21  52.332   2.488  -8.399
  160   HD21  LEU  21          HD21      LEU  21  51.768  -0.015  -7.959
  161   HD22  LEU  21          HD22      LEU  21  50.181   0.754  -7.921
  162   HD23  LEU  21          HD23      LEU  21  50.674  -0.311  -6.608
  163    H    THR  22           HN       THR  22  53.194  -1.522  -3.112
  164    HA   THR  22           HA       THR  22  55.425  -0.292  -1.891
  165    HB   THR  22           HB       THR  22  54.643  -3.207  -1.613
  166    HG1  THR  22           HG1      THR  22  53.704  -1.532   0.282
  167   HG21  THR  22          HG21      THR  22  56.763  -2.617  -0.564
  168   HG22  THR  22          HG22      THR  22  55.542  -2.854   0.686
  169   HG23  THR  22          HG23      THR  22  56.019  -1.222   0.216
  170    H    HIS  23           HN       HIS  23  57.315  -0.070  -2.929
  171    HA   HIS  23           HA       HIS  23  58.920  -2.339  -3.538
  172    HB2  HIS  23           HB2      HIS  23  59.132  -1.947  -5.985
  173    HB3  HIS  23           HB1      HIS  23  57.519  -2.491  -5.524
  174    HD1  HIS  23           HD1      HIS  23  57.659   0.847  -4.376
  175    HD2  HIS  23           HD2      HIS  23  57.282  -0.820  -8.176
  176    HE1  HIS  23           HE1      HIS  23  56.637   2.640  -5.846
  177    H    TYR  24           HN       TYR  24  60.847  -1.437  -5.087
  178    HA   TYR  24           HA       TYR  24  62.274   0.399  -3.546
  179    HB2  TYR  24           HB2      TYR  24  62.634  -0.180  -6.497
  180    HB3  TYR  24           HB1      TYR  24  63.842   0.512  -5.414
  181    HD1  TYR  24           HD1      TYR  24  64.873  -0.846  -3.617
  182    HD2  TYR  24           HD2      TYR  24  62.075  -2.553  -6.424
  183    HE1  TYR  24           HE1      TYR  24  65.582  -3.135  -2.934
  184    HE2  TYR  24           HE2      TYR  24  62.785  -4.842  -5.742
  185    HH   TYR  24           HH       TYR  24  63.762  -5.945  -3.879
  186    H    LEU  25           HN       LEU  25  62.122   2.532  -3.310
  187    HA   LEU  25           HA       LEU  25  60.218   4.079  -4.739
  188    HB2  LEU  25           HB2      LEU  25  60.764   4.696  -2.479
  189    HB3  LEU  25           HB1      LEU  25  62.474   4.839  -2.869
  190    HG   LEU  25           HG       LEU  25  62.081   6.798  -4.226
  191   HD11  LEU  25          HD11      LEU  25  59.661   7.706  -4.324
  192   HD12  LEU  25          HD12      LEU  25  59.164   6.078  -3.861
  193   HD13  LEU  25          HD13      LEU  25  60.046   6.338  -5.367
  194   HD21  LEU  25          HD21      LEU  25  60.386   7.027  -1.721
  195   HD22  LEU  25          HD22      LEU  25  61.233   8.336  -2.545
  196   HD23  LEU  25          HD23      LEU  25  62.149   7.066  -1.733
  Start of MODEL   41
    1    H1   GLY   1           HT1      GLY   1  46.312  15.359  10.462
    2    H2   GLY   1           HT2      GLY   1  46.318  15.765   8.812
    3    H3   GLY   1           HT3      GLY   1  46.229  14.137   9.291
    4    HA2  GLY   1           HA1      GLY   1  44.117  14.652  10.397
    5    HA3  GLY   1           HA2      GLY   1  44.201  16.229   9.624
    6    H    TRP   2           HN       TRP   2  42.653  16.183   8.114
    7    HA   TRP   2           HA       TRP   2  42.987  14.489   5.809
    8    HB2  TRP   2           HB2      TRP   2  41.761  12.981   7.384
    9    HB3  TRP   2           HB1      TRP   2  40.451  14.160   7.428
   10    HD1  TRP   2           HD1      TRP   2  42.418  12.105   4.807
   11    HE1  TRP   2           HE1      TRP   2  40.814  11.513   2.877
   12    HE3  TRP   2           HE3      TRP   2  38.218  14.581   6.371
   13    HZ2  TRP   2           HZ2      TRP   2  38.098  12.019   2.089
   14    HZ3  TRP   2           HZ3      TRP   2  36.131  14.512   5.013
   15    HH2  TRP   2           HH2      TRP   2  36.068  13.235   2.875
   16    H    GLY   3           HN       GLY   3  42.196  15.479   4.033
   17    HA2  GLY   3           HA1      GLY   3  41.012  16.952   2.717
   18    HA3  GLY   3           HA2      GLY   3  39.965  17.275   4.093
   19    H    SER   4           HN       SER   4  42.486  17.887   5.692
   20    HA   SER   4           HA       SER   4  42.455  20.716   5.252
   21    HB2  SER   4           HB2      SER   4  44.122  20.778   7.062
   22    HB3  SER   4           HB1      SER   4  42.755  19.757   7.495
   23    HG   SER   4           HG       SER   4  44.479  18.521   7.948
   24    H    PHE   5           HN       PHE   5  43.432  21.601   3.545
   25    HA   PHE   5           HA       PHE   5  45.576  20.385   2.122
   26    HB2  PHE   5           HB2      PHE   5  45.706  22.619   0.972
   27    HB3  PHE   5           HB1      PHE   5  44.102  21.886   0.953
   28    HD1  PHE   5           HD1      PHE   5  42.253  22.835   2.223
   29    HD2  PHE   5           HD2      PHE   5  46.220  24.516   2.488
   30    HE1  PHE   5           HE1      PHE   5  41.328  24.841   3.377
   31    HE2  PHE   5           HE2      PHE   5  45.294  26.521   3.642
   32    HZ   PHE   5           HZ       PHE   5  42.851  26.674   4.103
   33    H    PHE   6           HN       PHE   6  47.535  22.023   1.622
   34    HA   PHE   6           HA       PHE   6  48.594  23.346   3.973
   35    HB2  PHE   6           HB2      PHE   6  49.802  20.753   2.979
   36    HB3  PHE   6           HB1      PHE   6  50.634  21.884   4.046
   37    HD1  PHE   6           HD1      PHE   6  48.170  19.219   3.840
   38    HD2  PHE   6           HD2      PHE   6  49.597  22.472   6.294
   39    HE1  PHE   6           HE1      PHE   6  47.010  18.239   5.816
   40    HE2  PHE   6           HE2      PHE   6  48.435  21.492   8.268
   41    HZ   PHE   6           HZ       PHE   6  47.087  19.412   8.013
   42    H    ARG   7           HN       ARG   7  48.815  22.314   0.659
   43    HA   ARG   7           HA       ARG   7  50.155  24.738  -0.105
   44    HB2  ARG   7           HB2      ARG   7  52.049  23.309   0.751
   45    HB3  ARG   7           HB1      ARG   7  51.681  22.162  -0.538
   46    HG2  ARG   7           HG2      ARG   7  52.018  23.950  -2.217
   47    HG3  ARG   7           HG1      ARG   7  52.422  25.078  -0.922
   48    HD2  ARG   7           HD2      ARG   7  53.927  22.546  -1.638
   49    HD3  ARG   7           HD1      ARG   7  54.484  24.201  -1.882
   50    HE   ARG   7           HE       ARG   7  53.927  23.973   0.863
   51   HH11  ARG   7          HH11      ARG   7  55.442  23.199   2.365
   52   HH12  ARG   7          HH12      ARG   7  56.927  22.515   1.793
   53   HH21  ARG   7          HH21      ARG   7  56.071  22.790  -1.556
   54   HH22  ARG   7          HH22      ARG   7  57.282  22.283  -0.427
   55    H    ARG   8           HN       ARG   8  49.206  21.443  -0.968
   56    HA   ARG   8           HA       ARG   8  47.666  22.311  -3.200
   57    HB2  ARG   8           HB2      ARG   8  50.003  22.530  -4.121
   58    HB3  ARG   8           HB1      ARG   8  50.184  20.788  -3.906
   59    HG2  ARG   8           HG2      ARG   8  48.206  20.416  -5.356
   60    HG3  ARG   8           HG1      ARG   8  48.074  22.158  -5.603
   61    HD2  ARG   8           HD2      ARG   8  50.521  20.509  -6.303
   62    HD3  ARG   8           HD1      ARG   8  49.286  21.003  -7.461
   63    HE   ARG   8           HE       ARG   8  50.334  23.278  -6.015
   64   HH11  ARG   8          HH11      ARG   8  52.807  23.347  -6.650
   65   HH12  ARG   8          HH12      ARG   8  53.020  23.389  -8.368
   66   HH21  ARG   8          HH21      ARG   8  49.793  22.329  -9.061
   67   HH22  ARG   8          HH22      ARG   8  51.314  22.813  -9.732
   68    H    ALA   9           HN       ALA   9  46.070  21.022  -2.315
   69    HA   ALA   9           HA       ALA   9  44.909  19.101  -1.809
   70    HB1  ALA   9           HB1      ALA   9  45.265  18.804  -4.246
   71    HB2  ALA   9           HB2      ALA   9  45.186  17.271  -3.376
   72    HB3  ALA   9           HB3      ALA   9  46.745  17.913  -3.893
   73    H    ALA  10           HN       ALA  10  47.776  19.646  -0.675
   74    HA   ALA  10           HA       ALA  10  49.161  18.675   0.874
   75    HB1  ALA  10           HB1      ALA  10  46.964  16.642   1.245
   76    HB2  ALA  10           HB2      ALA  10  46.898  18.268   1.927
   77    HB3  ALA  10           HB3      ALA  10  48.176  17.156   2.420
   78    H    HIS  11           HN       HIS  11  49.415  17.879  -1.871
   79    HA   HIS  11           HA       HIS  11  49.701  15.091  -2.197
   80    HB2  HIS  11           HB2      HIS  11  49.657  16.665  -4.090
   81    HB3  HIS  11           HB1      HIS  11  51.203  17.334  -3.570
   82    HD1  HIS  11           HD1      HIS  11  49.682  14.405  -5.298
   83    HD2  HIS  11           HD2      HIS  11  53.447  15.563  -3.935
   84    HE1  HIS  11           HE1      HIS  11  51.344  12.796  -6.330
   85    H    VAL  12           HN       VAL  12  51.665  17.461  -0.609
   86    HA   VAL  12           HA       VAL  12  54.127  16.007  -0.660
   87    HB   VAL  12           HB       VAL  12  53.276  18.060   1.400
   88   HG11  VAL  12          HG11      VAL  12  55.963  17.138   0.339
   89   HG12  VAL  12          HG12      VAL  12  55.323  16.857   1.959
   90   HG13  VAL  12          HG13      VAL  12  55.737  18.493   1.446
   91   HG21  VAL  12          HG21      VAL  12  54.281  19.734  -0.108
   92   HG22  VAL  12          HG22      VAL  12  52.927  18.924  -0.895
   93   HG23  VAL  12          HG23      VAL  12  54.582  18.478  -1.308
   94    H    GLY  13           HN       GLY  13  53.014  13.901  -0.112
   95    HA2  GLY  13           HA1      GLY  13  53.726  13.028   2.422
   96    HA3  GLY  13           HA2      GLY  13  52.019  13.438   2.504
   97    H    ARG  14           HN       ARG  14  53.008  12.426  -0.582
   98    HA   ARG  14           HA       ARG  14  51.303  10.202  -0.650
   99    HB2  ARG  14           HB2      ARG  14  52.215  11.444  -2.642
  100    HB3  ARG  14           HB1      ARG  14  53.748  10.613  -2.383
  101    HG2  ARG  14           HG2      ARG  14  52.689   8.448  -2.690
  102    HG3  ARG  14           HG1      ARG  14  51.097   9.200  -2.789
  103    HD2  ARG  14           HD2      ARG  14  51.720  10.358  -4.838
  104    HD3  ARG  14           HD1      ARG  14  53.370   9.750  -4.717
  105    HE   ARG  14           HE       ARG  14  51.581   7.527  -4.733
  106   HH11  ARG  14          HH11      ARG  14  52.838  10.060  -6.708
  107   HH12  ARG  14          HH12      ARG  14  52.620   9.190  -8.190
  108   HH21  ARG  14          HH21      ARG  14  51.262   6.390  -6.660
  109   HH22  ARG  14          HH22      ARG  14  51.729   7.114  -8.164
  110    H    HIS  15           HN       HIS  15  54.618  10.533   0.375
  111    HA   HIS  15           HA       HIS  15  55.247   7.732   0.336
  112    HB2  HIS  15           HB2      HIS  15  56.557   9.926   1.958
  113    HB3  HIS  15           HB1      HIS  15  57.252   8.362   1.530
  114    HD1  HIS  15           HD1      HIS  15  56.695   8.121  -1.404
  115    HD2  HIS  15           HD2      HIS  15  57.767  11.770   0.299
  116    HE1  HIS  15           HE1      HIS  15  57.665   9.529  -3.273
  117    H    VAL  16           HN       VAL  16  54.807   9.993   3.068
  118    HA   VAL  16           HA       VAL  16  54.291   7.805   4.906
  119    HB   VAL  16           HB       VAL  16  53.873   9.711   6.543
  120   HG11  VAL  16          HG11      VAL  16  56.488   9.718   5.006
  121   HG12  VAL  16          HG12      VAL  16  56.074   8.625   6.327
  122   HG13  VAL  16          HG13      VAL  16  56.258  10.352   6.636
  123   HG21  VAL  16          HG21      VAL  16  54.395  11.961   5.846
  124   HG22  VAL  16          HG22      VAL  16  53.213  11.328   4.703
  125   HG23  VAL  16          HG23      VAL  16  54.917  11.407   4.256
  126    H    GLY  17           HN       GLY  17  52.440   7.706   2.872
  127    HA2  GLY  17           HA1      GLY  17  49.977   7.891   4.338
  128    HA3  GLY  17           HA2      GLY  17  50.074   9.059   3.026
  129    H    ARG  18           HN       ARG  18  51.541   7.473   1.190
  130    HA   ARG  18           HA       ARG  18  50.189   4.961   0.777
  131    HB2  ARG  18           HB2      ARG  18  48.474   6.708   0.093
  132    HB3  ARG  18           HB1      ARG  18  49.577   7.164  -1.204
  133    HG2  ARG  18           HG2      ARG  18  49.568   4.741  -1.938
  134    HG3  ARG  18           HG1      ARG  18  48.275   4.464  -0.771
  135    HD2  ARG  18           HD2      ARG  18  47.334   4.898  -3.000
  136    HD3  ARG  18           HD1      ARG  18  46.908   6.201  -1.890
  137    HE   ARG  18           HE       ARG  18  49.252   7.077  -3.092
  138   HH11  ARG  18          HH11      ARG  18  46.565   8.380  -3.511
  139   HH12  ARG  18          HH12      ARG  18  46.379   8.259  -5.229
  140   HH21  ARG  18          HH21      ARG  18  48.859   5.864  -5.596
  141   HH22  ARG  18          HH22      ARG  18  47.679   6.835  -6.409
  142    H    ALA  19           HN       ALA  19  52.543   4.554   0.813
  143    HA   ALA  19           HA       ALA  19  54.249   5.537  -1.243
  144    HB1  ALA  19           HB1      ALA  19  54.546   2.965   0.310
  145    HB2  ALA  19           HB2      ALA  19  54.994   4.549   0.942
  146    HB3  ALA  19           HB3      ALA  19  55.822   3.898  -0.472
  147    H    ALA  20           HN       ALA  20  55.239   2.701  -1.790
  148    HA   ALA  20           HA       ALA  20  53.205   1.449  -3.385
  149    HB1  ALA  20           HB1      ALA  20  53.762   3.406  -4.799
  150    HB2  ALA  20           HB2      ALA  20  54.179   1.872  -5.566
  151    HB3  ALA  20           HB3      ALA  20  55.440   2.868  -4.839
  152    H    LEU  21           HN       LEU  21  56.383   1.703  -2.112
  153    HA   LEU  21           HA       LEU  21  57.560  -0.566  -3.361
  154    HB2  LEU  21           HB2      LEU  21  58.244   0.472  -0.607
  155    HB3  LEU  21           HB1      LEU  21  59.300  -0.356  -1.752
  156    HG   LEU  21           HG       LEU  21  58.079   2.396  -2.141
  157   HD11  LEU  21          HD11      LEU  21  60.935   1.520  -1.609
  158   HD12  LEU  21          HD12      LEU  21  59.880   2.337  -0.456
  159   HD13  LEU  21          HD13      LEU  21  60.410   3.176  -1.914
  160   HD21  LEU  21          HD21      LEU  21  59.782   2.391  -4.087
  161   HD22  LEU  21          HD22      LEU  21  58.317   1.441  -4.311
  162   HD23  LEU  21          HD23      LEU  21  59.829   0.640  -3.884
  163    H    THR  22           HN       THR  22  55.691  -2.020  -3.232
  164    HA   THR  22           HA       THR  22  55.990  -3.881  -1.077
  165    HB   THR  22           HB       THR  22  54.533  -2.322   0.117
  166    HG1  THR  22           HG1      THR  22  53.954  -4.831  -0.452
  167   HG21  THR  22          HG21      THR  22  53.614  -1.277  -1.992
  168   HG22  THR  22          HG22      THR  22  52.402  -1.615  -0.755
  169   HG23  THR  22          HG23      THR  22  52.561  -2.683  -2.151
  170    H    HIS  23           HN       HIS  23  55.064  -2.971  -4.144
  171    HA   HIS  23           HA       HIS  23  54.149  -4.068  -5.944
  172    HB2  HIS  23           HB2      HIS  23  56.054  -5.597  -5.323
  173    HB3  HIS  23           HB1      HIS  23  54.899  -6.567  -4.410
  174    HD1  HIS  23           HD1      HIS  23  52.580  -6.001  -6.638
  175    HD2  HIS  23           HD2      HIS  23  56.323  -7.728  -7.249
  176    HE1  HIS  23           HE1      HIS  23  52.405  -7.354  -8.772
  177    H    TYR  24           HN       TYR  24  51.995  -3.692  -5.980
  178    HA   TYR  24           HA       TYR  24  50.072  -4.473  -4.146
  179    HB2  TYR  24           HB2      TYR  24  49.818  -4.106  -7.139
  180    HB3  TYR  24           HB1      TYR  24  48.449  -4.254  -6.037
  181    HD1  TYR  24           HD1      TYR  24  47.962  -2.504  -4.363
  182    HD2  TYR  24           HD2      TYR  24  51.218  -2.103  -7.168
  183    HE1  TYR  24           HE1      TYR  24  48.129  -0.078  -3.822
  184    HE2  TYR  24           HE2      TYR  24  51.383   0.324  -6.627
  185    HH   TYR  24           HH       TYR  24  49.301   2.081  -5.636
  186    H    LEU  25           HN       LEU  25  48.170  -6.014  -4.877
  187    HA   LEU  25           HA       LEU  25  49.239  -8.669  -4.805
  188    HB2  LEU  25           HB2      LEU  25  46.448  -7.527  -4.985
  189    HB3  LEU  25           HB1      LEU  25  46.732  -9.265  -5.077
  190    HG   LEU  25           HG       LEU  25  47.801  -9.257  -2.892
  191   HD11  LEU  25          HD11      LEU  25  47.692  -7.039  -1.567
  192   HD12  LEU  25          HD12      LEU  25  47.487  -6.256  -3.134
  193   HD13  LEU  25          HD13      LEU  25  48.950  -7.181  -2.792
  194   HD21  LEU  25          HD21      LEU  25  45.262  -7.604  -2.748
  195   HD22  LEU  25          HD22      LEU  25  45.869  -8.729  -1.532
  196   HD23  LEU  25          HD23      LEU  25  45.285  -9.335  -3.082
  Start of MODEL   42
    1    H1   GLY   1           HT1      GLY   1  40.456  14.021   3.326
    2    H2   GLY   1           HT2      GLY   1  39.148  14.804   4.076
    3    H3   GLY   1           HT3      GLY   1  39.774  13.366   4.733
    4    HA2  GLY   1           HA1      GLY   1  41.654  14.353   5.498
    5    HA3  GLY   1           HA2      GLY   1  41.464  15.719   4.407
    6    H    TRP   2           HN       TRP   2  41.957  16.607   6.734
    7    HA   TRP   2           HA       TRP   2  39.596  17.940   7.601
    8    HB2  TRP   2           HB2      TRP   2  39.159  15.773   8.685
    9    HB3  TRP   2           HB1      TRP   2  40.726  15.858   9.488
   10    HD1  TRP   2           HD1      TRP   2  37.375  17.751   9.322
   11    HE1  TRP   2           HE1      TRP   2  37.034  18.999  11.553
   12    HE3  TRP   2           HE3      TRP   2  41.852  16.731  11.588
   13    HZ2  TRP   2           HZ2      TRP   2  38.468  19.506  13.990
   14    HZ3  TRP   2           HZ3      TRP   2  42.343  17.607  13.866
   15    HH2  TRP   2           HH2      TRP   2  40.657  18.993  15.068
   16    H    GLY   3           HN       GLY   3  42.828  17.659   7.244
   17    HA2  GLY   3           HA1      GLY   3  43.442  20.165   8.338
   18    HA3  GLY   3           HA2      GLY   3  43.936  18.930   9.489
   19    H    SER   4           HN       SER   4  44.444  17.046   7.203
   20    HA   SER   4           HA       SER   4  47.212  17.519   6.919
   21    HB2  SER   4           HB2      SER   4  47.119  15.693   5.236
   22    HB3  SER   4           HB1      SER   4  46.283  15.277   6.730
   23    HG   SER   4           HG       SER   4  45.204  14.938   4.560
   24    H    PHE   5           HN       PHE   5  47.785  19.437   6.006
   25    HA   PHE   5           HA       PHE   5  47.491  19.697   3.143
   26    HB2  PHE   5           HB2      PHE   5  45.364  20.697   4.043
   27    HB3  PHE   5           HB1      PHE   5  46.349  21.891   4.889
   28    HD1  PHE   5           HD1      PHE   5  45.044  20.795   1.639
   29    HD2  PHE   5           HD2      PHE   5  47.748  23.518   3.616
   30    HE1  PHE   5           HE1      PHE   5  45.192  22.157  -0.441
   31    HE2  PHE   5           HE2      PHE   5  47.895  24.881   1.535
   32    HZ   PHE   5           HZ       PHE   5  46.671  24.161  -0.513
   33    H    PHE   6           HN       PHE   6  49.256  20.646   2.328
   34    HA   PHE   6           HA       PHE   6  50.700  22.722   3.690
   35    HB2  PHE   6           HB2      PHE   6  51.423  20.612   4.900
   36    HB3  PHE   6           HB1      PHE   6  52.136  20.078   3.379
   37    HD1  PHE   6           HD1      PHE   6  52.406  22.427   6.195
   38    HD2  PHE   6           HD2      PHE   6  54.038  21.307   2.360
   39    HE1  PHE   6           HE1      PHE   6  54.432  23.800   6.657
   40    HE2  PHE   6           HE2      PHE   6  56.063  22.683   2.821
   41    HZ   PHE   6           HZ       PHE   6  56.296  23.862   5.004
   42    H    ARG   7           HN       ARG   7  49.899  20.846   1.023
   43    HA   ARG   7           HA       ARG   7  51.238  22.624  -0.789
   44    HB2  ARG   7           HB2      ARG   7  52.519  20.794  -1.961
   45    HB3  ARG   7           HB1      ARG   7  53.167  21.258  -0.390
   46    HG2  ARG   7           HG2      ARG   7  51.876  19.332   0.620
   47    HG3  ARG   7           HG1      ARG   7  51.477  18.821  -1.019
   48    HD2  ARG   7           HD2      ARG   7  53.443  17.599  -0.246
   49    HD3  ARG   7           HD1      ARG   7  53.908  18.702  -1.542
   50    HE   ARG   7           HE       ARG   7  54.239  20.003   0.994
   51   HH11  ARG   7          HH11      ARG   7  56.484  20.762   0.004
   52   HH12  ARG   7          HH12      ARG   7  57.683  19.520   0.146
   53   HH21  ARG   7          HH21      ARG   7  55.378  16.997   0.735
   54   HH22  ARG   7          HH22      ARG   7  57.056  17.387   0.560
   55    H    ARG   8           HN       ARG   8  49.663  19.453  -0.434
   56    HA   ARG   8           HA       ARG   8  47.501  20.159  -2.136
   57    HB2  ARG   8           HB2      ARG   8  49.377  19.840  -3.820
   58    HB3  ARG   8           HB1      ARG   8  49.402  18.142  -3.347
   59    HG2  ARG   8           HG2      ARG   8  46.938  18.040  -3.892
   60    HG3  ARG   8           HG1      ARG   8  47.079  19.668  -4.554
   61    HD2  ARG   8           HD2      ARG   8  48.883  18.823  -6.082
   62    HD3  ARG   8           HD1      ARG   8  48.552  17.193  -5.495
   63    HE   ARG   8           HE       ARG   8  46.079  18.213  -6.344
   64   HH11  ARG   8          HH11      ARG   8  48.987  16.845  -7.480
   65   HH12  ARG   8          HH12      ARG   8  48.513  16.842  -9.146
   66   HH21  ARG   8          HH21      ARG   8  45.542  18.539  -8.578
   67   HH22  ARG   8          HH22      ARG   8  46.563  17.801  -9.768
   68    H    ALA   9           HN       ALA   9  46.928  19.295   0.128
   69    HA   ALA   9           HA       ALA   9  46.055  17.637   1.464
   70    HB1  ALA   9           HB1      ALA   9  44.720  15.955   0.273
   71    HB2  ALA   9           HB2      ALA   9  45.495  16.417  -1.243
   72    HB3  ALA   9           HB3      ALA   9  44.462  17.567  -0.393
   73    H    ALA  10           HN       ALA  10  48.917  17.408   0.451
   74    HA   ALA  10           HA       ALA  10  50.679  15.955   0.669
   75    HB1  ALA  10           HB1      ALA  10  48.798  14.284   2.330
   76    HB2  ALA  10           HB2      ALA  10  49.591  15.738   2.935
   77    HB3  ALA  10           HB3      ALA  10  50.557  14.353   2.428
   78    H    HIS  11           HN       HIS  11  48.135  15.355  -1.164
   79    HA   HIS  11           HA       HIS  11  48.342  12.548  -1.694
   80    HB2  HIS  11           HB2      HIS  11  46.320  13.906  -2.212
   81    HB3  HIS  11           HB1      HIS  11  47.235  14.731  -3.473
   82    HD1  HIS  11           HD1      HIS  11  45.289  11.690  -2.816
   83    HD2  HIS  11           HD2      HIS  11  48.221  12.833  -5.549
   84    HE1  HIS  11           HE1      HIS  11  45.183  10.025  -4.720
   85    H    VAL  12           HN       VAL  12  49.689  15.473  -3.174
   86    HA   VAL  12           HA       VAL  12  50.861  14.389  -5.441
   87    HB   VAL  12           HB       VAL  12  50.851  16.815  -4.939
   88   HG11  VAL  12          HG11      VAL  12  53.108  16.199  -3.011
   89   HG12  VAL  12          HG12      VAL  12  51.448  16.505  -2.503
   90   HG13  VAL  12          HG13      VAL  12  52.365  17.767  -3.325
   91   HG21  VAL  12          HG21      VAL  12  53.024  17.299  -5.873
   92   HG22  VAL  12          HG22      VAL  12  52.490  15.764  -6.557
   93   HG23  VAL  12          HG23      VAL  12  53.687  15.784  -5.262
   94    H    GLY  13           HN       GLY  13  52.989  13.648  -5.896
   95    HA2  GLY  13           HA1      GLY  13  54.995  12.585  -5.478
   96    HA3  GLY  13           HA2      GLY  13  54.821  12.990  -3.776
   97    H    ARG  14           HN       ARG  14  52.378  11.782  -3.218
   98    HA   ARG  14           HA       ARG  14  51.577   9.758  -2.473
   99    HB2  ARG  14           HB2      ARG  14  52.599   8.755  -5.140
  100    HB3  ARG  14           HB1      ARG  14  51.320   8.041  -4.156
  101    HG2  ARG  14           HG2      ARG  14  50.001  10.142  -4.405
  102    HG3  ARG  14           HG1      ARG  14  51.255  10.770  -5.476
  103    HD2  ARG  14           HD2      ARG  14  49.606   8.267  -5.941
  104    HD3  ARG  14           HD1      ARG  14  49.436   9.797  -6.802
  105    HE   ARG  14           HE       ARG  14  52.139   8.824  -7.013
  106   HH11  ARG  14          HH11      ARG  14  52.135   6.670  -8.268
  107   HH12  ARG  14          HH12      ARG  14  51.196   6.735  -9.722
  108   HH21  ARG  14          HH21      ARG  14  49.531   9.644  -8.832
  109   HH22  ARG  14          HH22      ARG  14  49.721   8.418 -10.041
  110    H    HIS  15           HN       HIS  15  52.518   7.135  -3.098
  111    HA   HIS  15           HA       HIS  15  53.964   5.578  -2.233
  112    HB2  HIS  15           HB2      HIS  15  55.411   6.458  -4.015
  113    HB3  HIS  15           HB1      HIS  15  56.012   7.701  -2.918
  114    HD1  HIS  15           HD1      HIS  15  56.230   4.034  -3.647
  115    HD2  HIS  15           HD2      HIS  15  57.827   6.764  -0.934
  116    HE1  HIS  15           HE1      HIS  15  58.083   2.822  -2.419
  117    H    VAL  16           HN       VAL  16  55.941   8.323  -1.214
  118    HA   VAL  16           HA       VAL  16  56.187   7.351   1.438
  119    HB   VAL  16           HB       VAL  16  57.876   8.834   0.353
  120   HG11  VAL  16          HG11      VAL  16  56.113  10.339  -0.691
  121   HG12  VAL  16          HG12      VAL  16  57.464  11.179   0.070
  122   HG13  VAL  16          HG13      VAL  16  55.911  11.076   0.899
  123   HG21  VAL  16          HG21      VAL  16  58.361  10.140   2.350
  124   HG22  VAL  16          HG22      VAL  16  57.696   8.584   2.843
  125   HG23  VAL  16          HG23      VAL  16  56.683  10.027   2.878
  126    H    GLY  17           HN       GLY  17  54.037   9.670  -0.093
  127    HA2  GLY  17           HA1      GLY  17  52.994  10.909   2.193
  128    HA3  GLY  17           HA2      GLY  17  52.155  10.738   0.656
  129    H    ARG  18           HN       ARG  18  51.555   8.235   0.316
  130    HA   ARG  18           HA       ARG  18  49.554   7.689   2.270
  131    HB2  ARG  18           HB2      ARG  18  49.431   7.098  -0.183
  132    HB3  ARG  18           HB1      ARG  18  50.584   5.803   0.143
  133    HG2  ARG  18           HG2      ARG  18  49.051   4.791   1.753
  134    HG3  ARG  18           HG1      ARG  18  47.915   6.125   1.545
  135    HD2  ARG  18           HD2      ARG  18  47.546   5.523  -0.777
  136    HD3  ARG  18           HD1      ARG  18  48.801   4.288  -0.697
  137    HE   ARG  18           HE       ARG  18  46.082   3.926   0.122
  138   HH11  ARG  18          HH11      ARG  18  47.383   3.832   2.795
  139   HH12  ARG  18          HH12      ARG  18  47.855   2.170   2.926
  140   HH21  ARG  18          HH21      ARG  18  47.528   1.535  -0.467
  141   HH22  ARG  18          HH22      ARG  18  47.934   0.869   1.079
  142    H    ALA  19           HN       ALA  19  52.864   6.806   1.933
  143    HA   ALA  19           HA       ALA  19  54.259   5.458   3.160
  144    HB1  ALA  19           HB1      ALA  19  53.812   5.306   5.516
  145    HB2  ALA  19           HB2      ALA  19  52.099   5.644   5.260
  146    HB3  ALA  19           HB3      ALA  19  53.301   6.901   4.965
  147    H    ALA  20           HN       ALA  20  52.306   4.197   1.412
  148    HA   ALA  20           HA       ALA  20  51.258   1.867   2.732
  149    HB1  ALA  20           HB1      ALA  20  50.145   2.664   0.760
  150    HB2  ALA  20           HB2      ALA  20  50.850   1.091   0.385
  151    HB3  ALA  20           HB3      ALA  20  51.633   2.565  -0.180
  152    H    LEU  21           HN       LEU  21  52.061  -0.205   2.762
  153    HA   LEU  21           HA       LEU  21  54.911  -0.497   2.603
  154    HB2  LEU  21           HB2      LEU  21  52.898  -2.738   2.853
  155    HB3  LEU  21           HB1      LEU  21  54.567  -2.705   3.423
  156    HG   LEU  21           HG       LEU  21  52.318  -0.958   4.474
  157   HD11  LEU  21          HD11      LEU  21  52.190  -3.400   5.061
  158   HD12  LEU  21          HD12      LEU  21  52.411  -2.344   6.456
  159   HD13  LEU  21          HD13      LEU  21  53.779  -3.252   5.811
  160   HD21  LEU  21          HD21      LEU  21  54.347   0.263   4.752
  161   HD22  LEU  21          HD22      LEU  21  55.265  -1.191   5.145
  162   HD23  LEU  21          HD23      LEU  21  54.101  -0.542   6.300
  163    H    THR  22           HN       THR  22  54.913   0.220   0.258
  164    HA   THR  22           HA       THR  22  55.116  -0.243  -1.989
  165    HB   THR  22           HB       THR  22  56.181  -2.395  -2.530
  166    HG1  THR  22           HG1      THR  22  55.734  -3.031   0.193
  167   HG21  THR  22          HG21      THR  22  57.249  -1.383   0.114
  168   HG22  THR  22          HG22      THR  22  57.450  -0.506  -1.404
  169   HG23  THR  22          HG23      THR  22  58.162  -2.108  -1.210
  170    H    HIS  23           HN       HIS  23  52.916   0.023  -2.536
  171    HA   HIS  23           HA       HIS  23  51.030  -2.130  -2.379
  172    HB2  HIS  23           HB2      HIS  23  49.667  -0.629  -3.889
  173    HB3  HIS  23           HB1      HIS  23  50.183   0.115  -2.376
  174    HD1  HIS  23           HD1      HIS  23  50.335   0.553  -6.000
  175    HD2  HIS  23           HD2      HIS  23  52.557   1.851  -2.722
  176    HE1  HIS  23           HE1      HIS  23  51.774   2.467  -6.823
  177    H    TYR  24           HN       TYR  24  50.369  -3.553  -3.940
  178    HA   TYR  24           HA       TYR  24  52.200  -4.422  -5.876
  179    HB2  TYR  24           HB2      TYR  24  49.205  -4.867  -5.870
  180    HB3  TYR  24           HB1      TYR  24  50.415  -5.857  -6.688
  181    HD1  TYR  24           HD1      TYR  24  51.962  -7.298  -5.415
  182    HD2  TYR  24           HD2      TYR  24  48.914  -4.963  -3.443
  183    HE1  TYR  24           HE1      TYR  24  52.283  -8.634  -3.336
  184    HE2  TYR  24           HE2      TYR  24  49.235  -6.298  -1.364
  185    HH   TYR  24           HH       TYR  24  51.404  -9.084  -1.253
  186    H    LEU  25           HN       LEU  25  49.956  -1.833  -5.935
  187    HA   LEU  25           HA       LEU  25  49.282  -0.369  -7.565
  188    HB2  LEU  25           HB2      LEU  25  51.620   0.173  -7.697
  189    HB3  LEU  25           HB1      LEU  25  51.960  -1.266  -8.651
  190    HG   LEU  25           HG       LEU  25  50.769  -0.381 -10.557
  191   HD11  LEU  25          HD11      LEU  25  49.796   2.003 -10.349
  192   HD12  LEU  25          HD12      LEU  25  49.856   1.745  -8.605
  193   HD13  LEU  25          HD13      LEU  25  48.867   0.695  -9.621
  194   HD21  LEU  25          HD21      LEU  25  52.132   1.544 -11.071
  195   HD22  LEU  25          HD22      LEU  25  53.099   0.465 -10.067
  196   HD23  LEU  25          HD23      LEU  25  52.361   1.903  -9.360
  Start of MODEL   43
    1    H1   GLY   1           HT1      GLY   1  40.149  20.571   9.861
    2    H2   GLY   1           HT2      GLY   1  39.006  21.620   9.165
    3    H3   GLY   1           HT3      GLY   1  39.827  22.070  10.584
    4    HA2  GLY   1           HA1      GLY   1  41.896  21.694   9.101
    5    HA3  GLY   1           HA2      GLY   1  40.727  22.034   7.833
    6    H    TRP   2           HN       TRP   2  42.445  23.850   7.696
    7    HA   TRP   2           HA       TRP   2  41.192  26.255   8.579
    8    HB2  TRP   2           HB2      TRP   2  42.353  25.505  10.688
    9    HB3  TRP   2           HB1      TRP   2  43.885  25.673   9.833
   10    HD1  TRP   2           HD1      TRP   2  44.709  28.111   9.222
   11    HE1  TRP   2           HE1      TRP   2  44.023  30.444  10.082
   12    HE3  TRP   2           HE3      TRP   2  40.316  26.920  11.567
   13    HZ2  TRP   2           HZ2      TRP   2  41.888  31.657  11.573
   14    HZ3  TRP   2           HZ3      TRP   2  38.971  28.683  12.701
   15    HH2  TRP   2           HH2      TRP   2  39.752  31.047  12.707
   16    H    GLY   3           HN       GLY   3  44.273  24.801   7.549
   17    HA2  GLY   3           HA1      GLY   3  44.324  26.247   5.110
   18    HA3  GLY   3           HA2      GLY   3  45.399  26.998   6.280
   19    H    SER   4           HN       SER   4  45.415  23.895   7.190
   20    HA   SER   4           HA       SER   4  48.023  23.383   6.196
   21    HB2  SER   4           HB2      SER   4  47.232  22.421   8.303
   22    HB3  SER   4           HB1      SER   4  46.006  21.496   7.440
   23    HG   SER   4           HG       SER   4  48.777  21.160   7.561
   24    H    PHE   5           HN       PHE   5  48.614  21.419   4.940
   25    HA   PHE   5           HA       PHE   5  47.533  21.452   2.372
   26    HB2  PHE   5           HB2      PHE   5  48.774  19.331   2.026
   27    HB3  PHE   5           HB1      PHE   5  49.754  20.558   2.830
   28    HD1  PHE   5           HD1      PHE   5  50.378  20.349   5.187
   29    HD2  PHE   5           HD2      PHE   5  47.904  17.383   3.262
   30    HE1  PHE   5           HE1      PHE   5  50.738  18.804   7.108
   31    HE2  PHE   5           HE2      PHE   5  48.264  15.837   5.184
   32    HZ   PHE   5           HZ       PHE   5  49.616  16.579   7.140
   33    H    PHE   6           HN       PHE   6  46.666  19.383   1.279
   34    HA   PHE   6           HA       PHE   6  45.020  17.608   2.780
   35    HB2  PHE   6           HB2      PHE   6  43.667  19.648   3.064
   36    HB3  PHE   6           HB1      PHE   6  43.593  19.840   1.312
   37    HD1  PHE   6           HD1      PHE   6  41.971  18.649   0.016
   38    HD2  PHE   6           HD2      PHE   6  42.741  17.496   4.105
   39    HE1  PHE   6           HE1      PHE   6  40.032  17.086  -0.059
   40    HE2  PHE   6           HE2      PHE   6  40.802  15.935   4.029
   41    HZ   PHE   6           HZ       PHE   6  39.412  15.773   1.966
   42    H    ARG   7           HN       ARG   7  46.384  16.336   1.310
   43    HA   ARG   7           HA       ARG   7  46.743  15.100  -0.595
   44    HB2  ARG   7           HB2      ARG   7  43.807  15.656  -1.073
   45    HB3  ARG   7           HB1      ARG   7  44.750  14.321  -1.737
   46    HG2  ARG   7           HG2      ARG   7  45.179  13.501   0.566
   47    HG3  ARG   7           HG1      ARG   7  44.175  14.805   1.201
   48    HD2  ARG   7           HD2      ARG   7  43.216  12.697  -0.756
   49    HD3  ARG   7           HD1      ARG   7  42.925  12.656   0.983
   50    HE   ARG   7           HE       ARG   7  42.034  15.161  -0.133
   51   HH11  ARG   7          HH11      ARG   7  40.984  12.513   1.515
   52   HH12  ARG   7          HH12      ARG   7  39.419  12.415   0.777
   53   HH21  ARG   7          HH21      ARG   7  40.144  14.743  -1.689
   54   HH22  ARG   7          HH22      ARG   7  38.944  13.677  -1.036
   55    H    ARG   8           HN       ARG   8  47.830  17.401  -1.062
   56    HA   ARG   8           HA       ARG   8  47.417  17.858  -3.872
   57    HB2  ARG   8           HB2      ARG   8  47.012  20.338  -3.584
   58    HB3  ARG   8           HB1      ARG   8  45.648  19.306  -3.156
   59    HG2  ARG   8           HG2      ARG   8  46.095  19.526  -0.811
   60    HG3  ARG   8           HG1      ARG   8  47.659  20.282  -1.114
   61    HD2  ARG   8           HD2      ARG   8  45.019  21.490  -1.977
   62    HD3  ARG   8           HD1      ARG   8  45.845  21.909  -0.476
   63    HE   ARG   8           HE       ARG   8  47.576  22.184  -2.794
   64   HH11  ARG   8          HH11      ARG   8  44.857  23.729  -3.065
   65   HH12  ARG   8          HH12      ARG   8  45.369  25.302  -2.554
   66   HH21  ARG   8          HH21      ARG   8  48.356  24.179  -1.198
   67   HH22  ARG   8          HH22      ARG   8  47.350  25.557  -1.497
   68    H    ALA   9           HN       ALA   9  49.188  18.822  -4.830
   69    HA   ALA   9           HA       ALA   9  51.418  19.337  -5.039
   70    HB1  ALA   9           HB1      ALA   9  52.178  21.198  -3.732
   71    HB2  ALA   9           HB2      ALA   9  50.964  20.889  -2.492
   72    HB3  ALA   9           HB3      ALA   9  50.470  21.454  -4.089
   73    H    ALA  10           HN       ALA  10  50.394  17.210  -2.922
   74    HA   ALA  10           HA       ALA  10  52.977  16.189  -2.310
   75    HB1  ALA  10           HB1      ALA  10  52.864  16.394   0.144
   76    HB2  ALA  10           HB2      ALA  10  51.425  17.401  -0.018
   77    HB3  ALA  10           HB3      ALA  10  52.974  17.968  -0.641
   78    H    HIS  11           HN       HIS  11  52.182  14.270  -3.119
   79    HA   HIS  11           HA       HIS  11  49.706  13.105  -2.372
   80    HB2  HIS  11           HB2      HIS  11  50.715  11.010  -3.327
   81    HB3  HIS  11           HB1      HIS  11  50.778  12.400  -4.411
   82    HD1  HIS  11           HD1      HIS  11  52.915   9.958  -2.675
   83    HD2  HIS  11           HD2      HIS  11  53.436  13.715  -4.398
   84    HE1  HIS  11           HE1      HIS  11  55.406  10.246  -3.024
   85    H    VAL  12           HN       VAL  12  49.817  13.430  -0.032
   86    HA   VAL  12           HA       VAL  12  51.734  12.029   1.560
   87    HB   VAL  12           HB       VAL  12  50.113  12.487   3.439
   88   HG11  VAL  12          HG11      VAL  12  51.881  14.099   2.791
   89   HG12  VAL  12          HG12      VAL  12  50.431  14.925   3.363
   90   HG13  VAL  12          HG13      VAL  12  50.773  14.837   1.634
   91   HG21  VAL  12          HG21      VAL  12  48.157  13.880   2.944
   92   HG22  VAL  12          HG22      VAL  12  48.058  12.377   2.029
   93   HG23  VAL  12          HG23      VAL  12  48.555  13.867   1.227
   94    H    GLY  13           HN       GLY  13  48.934  11.076  -0.145
   95    HA2  GLY  13           HA1      GLY  13  47.824   9.061   1.379
   96    HA3  GLY  13           HA2      GLY  13  47.918   9.033  -0.377
   97    H    ARG  14           HN       ARG  14  50.106   8.365  -1.261
   98    HA   ARG  14           HA       ARG  14  50.791   5.811  -0.131
   99    HB2  ARG  14           HB2      ARG  14  51.993   7.387  -2.421
  100    HB3  ARG  14           HB1      ARG  14  52.437   5.731  -2.004
  101    HG2  ARG  14           HG2      ARG  14  50.166   4.965  -2.406
  102    HG3  ARG  14           HG1      ARG  14  49.617   6.620  -2.669
  103    HD2  ARG  14           HD2      ARG  14  51.221   6.779  -4.596
  104    HD3  ARG  14           HD1      ARG  14  51.573   5.065  -4.382
  105    HE   ARG  14           HE       ARG  14  49.249   6.128  -5.696
  106   HH11  ARG  14          HH11      ARG  14  50.695   3.435  -4.189
  107   HH12  ARG  14          HH12      ARG  14  49.295   2.422  -4.314
  108   HH21  ARG  14          HH21      ARG  14  47.265   4.933  -5.576
  109   HH22  ARG  14          HH22      ARG  14  47.352   3.271  -5.098
  110    H    HIS  15           HN       HIS  15  53.306   5.328  -0.119
  111    HA   HIS  15           HA       HIS  15  55.206   5.505   1.161
  112    HB2  HIS  15           HB2      HIS  15  54.871   8.378   0.268
  113    HB3  HIS  15           HB1      HIS  15  56.322   7.747   1.048
  114    HD1  HIS  15           HD1      HIS  15  54.118   6.531  -1.838
  115    HD2  HIS  15           HD2      HIS  15  58.145   6.995  -0.868
  116    HE1  HIS  15           HE1      HIS  15  55.436   5.765  -3.860
  117    H    VAL  16           HN       VAL  16  54.617   8.780   2.065
  118    HA   VAL  16           HA       VAL  16  54.544   8.087   4.858
  119    HB   VAL  16           HB       VAL  16  53.986  10.816   3.661
  120   HG11  VAL  16          HG11      VAL  16  54.822  11.620   5.796
  121   HG12  VAL  16          HG12      VAL  16  55.255   9.983   6.287
  122   HG13  VAL  16          HG13      VAL  16  53.559  10.429   6.107
  123   HG21  VAL  16          HG21      VAL  16  56.431  11.203   3.881
  124   HG22  VAL  16          HG22      VAL  16  56.072   9.943   2.700
  125   HG23  VAL  16          HG23      VAL  16  56.647   9.506   4.310
  126    H    GLY  17           HN       GLY  17  52.530   6.713   4.411
  127    HA2  GLY  17           HA1      GLY  17  50.325   7.819   5.691
  128    HA3  GLY  17           HA2      GLY  17  50.024   7.953   3.963
  129    H    ARG  18           HN       ARG  18  51.295   5.591   3.122
  130    HA   ARG  18           HA       ARG  18  50.184   3.344   4.585
  131    HB2  ARG  18           HB2      ARG  18  48.245   4.312   3.257
  132    HB3  ARG  18           HB1      ARG  18  49.137   3.885   1.797
  133    HG2  ARG  18           HG2      ARG  18  49.208   1.524   2.534
  134    HG3  ARG  18           HG1      ARG  18  48.299   1.954   3.982
  135    HD2  ARG  18           HD2      ARG  18  47.320   2.341   1.138
  136    HD3  ARG  18           HD1      ARG  18  46.825   1.032   2.211
  137    HE   ARG  18           HE       ARG  18  46.353   3.502   3.547
  138   HH11  ARG  18          HH11      ARG  18  44.498   1.085   2.770
  139   HH12  ARG  18          HH12      ARG  18  43.236   1.946   1.956
  140   HH21  ARG  18          HH21      ARG  18  45.064   4.878   1.660
  141   HH22  ARG  18          HH22      ARG  18  43.556   4.093   1.327
  142    H    ALA  19           HN       ALA  19  52.678   3.375   4.368
  143    HA   ALA  19           HA       ALA  19  53.877   2.691   1.889
  144    HB1  ALA  19           HB1      ALA  19  55.818   2.096   3.210
  145    HB2  ALA  19           HB2      ALA  19  54.840   2.047   4.678
  146    HB3  ALA  19           HB3      ALA  19  55.111   3.580   3.849
  147    H    ALA  20           HN       ALA  20  54.138   0.786   0.879
  148    HA   ALA  20           HA       ALA  20  53.903  -1.749   2.206
  149    HB1  ALA  20           HB1      ALA  20  51.669  -0.833   0.390
  150    HB2  ALA  20           HB2      ALA  20  51.542  -1.267   2.096
  151    HB3  ALA  20           HB3      ALA  20  51.918  -2.504   0.897
  152    H    LEU  21           HN       LEU  21  54.405   0.243  -0.553
  153    HA   LEU  21           HA       LEU  21  55.395  -0.117  -2.600
  154    HB2  LEU  21           HB2      LEU  21  56.871  -2.371  -1.234
  155    HB3  LEU  21           HB1      LEU  21  57.447  -1.301  -2.513
  156    HG   LEU  21           HG       LEU  21  56.831  -0.517   0.352
  157   HD11  LEU  21          HD11      LEU  21  59.262  -0.023   0.416
  158   HD12  LEU  21          HD12      LEU  21  59.417  -0.634  -1.232
  159   HD13  LEU  21          HD13      LEU  21  58.950  -1.724   0.073
  160   HD21  LEU  21          HD21      LEU  21  57.573   1.115  -2.093
  161   HD22  LEU  21          HD22      LEU  21  57.877   1.700  -0.458
  162   HD23  LEU  21          HD23      LEU  21  56.229   1.370  -0.980
  163    H    THR  22           HN       THR  22  53.058  -1.061  -2.964
  164    HA   THR  22           HA       THR  22  52.759  -3.861  -3.313
  165    HB   THR  22           HB       THR  22  50.805  -3.227  -4.767
  166    HG1  THR  22           HG1      THR  22  52.158  -1.023  -5.016
  167   HG21  THR  22          HG21      THR  22  50.510  -3.459  -2.356
  168   HG22  THR  22          HG22      THR  22  49.549  -2.099  -2.936
  169   HG23  THR  22          HG23      THR  22  51.076  -1.808  -2.103
  170    H    HIS  23           HN       HIS  23  54.716  -1.720  -4.912
  171    HA   HIS  23           HA       HIS  23  55.832  -1.732  -6.920
  172    HB2  HIS  23           HB2      HIS  23  56.471  -3.970  -5.887
  173    HB3  HIS  23           HB1      HIS  23  55.248  -4.699  -6.926
  174    HD1  HIS  23           HD1      HIS  23  57.169  -1.795  -8.250
  175    HD2  HIS  23           HD2      HIS  23  57.425  -5.949  -8.403
  176    HE1  HIS  23           HE1      HIS  23  58.778  -2.345 -10.126
  177    H    TYR  24           HN       TYR  24  55.661  -2.760  -9.288
  178    HA   TYR  24           HA       TYR  24  54.488  -2.614 -11.260
  179    HB2  TYR  24           HB2      TYR  24  52.240  -3.903  -9.704
  180    HB3  TYR  24           HB1      TYR  24  52.582  -4.039 -11.429
  181    HD1  TYR  24           HD1      TYR  24  53.162  -5.488  -8.188
  182    HD2  TYR  24           HD2      TYR  24  54.878  -5.043 -12.123
  183    HE1  TYR  24           HE1      TYR  24  54.644  -7.447  -7.764
  184    HE2  TYR  24           HE2      TYR  24  56.359  -7.002 -11.699
  185    HH   TYR  24           HH       TYR  24  55.880  -9.159  -9.146
  186    H    LEU  25           HN       LEU  25  54.200  -0.427  -9.234
  187    HA   LEU  25           HA       LEU  25  52.998   1.509  -8.933
  188    HB2  LEU  25           HB2      LEU  25  51.754   0.972 -11.633
  189    HB3  LEU  25           HB1      LEU  25  52.170   2.523 -10.902
  190    HG   LEU  25           HG       LEU  25  54.114   0.405 -11.872
  191   HD11  LEU  25          HD11      LEU  25  53.017   1.781 -13.632
  192   HD12  LEU  25          HD12      LEU  25  54.747   2.108 -13.515
  193   HD13  LEU  25          HD13      LEU  25  53.586   3.239 -12.818
  194   HD21  LEU  25          HD21      LEU  25  54.527   3.010 -10.378
  195   HD22  LEU  25          HD22      LEU  25  55.808   2.259 -11.328
  196   HD23  LEU  25          HD23      LEU  25  55.122   1.407  -9.947
  Start of MODEL   44
    1    H1   GLY   1           HT1      GLY   1  46.281  27.975   3.073
    2    H2   GLY   1           HT2      GLY   1  47.203  26.716   3.745
    3    H3   GLY   1           HT3      GLY   1  47.326  27.074   2.088
    4    HA2  GLY   1           HA1      GLY   1  48.478  28.985   2.428
    5    HA3  GLY   1           HA2      GLY   1  47.946  29.089   4.101
    6    H    TRP   2           HN       TRP   2  48.470  26.136   4.407
    7    HA   TRP   2           HA       TRP   2  51.295  25.769   4.034
    8    HB2  TRP   2           HB2      TRP   2  51.339  27.361   5.917
    9    HB3  TRP   2           HB1      TRP   2  50.295  26.285   6.845
   10    HD1  TRP   2           HD1      TRP   2  53.669  26.026   4.956
   11    HE1  TRP   2           HE1      TRP   2  55.235  24.496   6.318
   12    HE3  TRP   2           HE3      TRP   2  50.526  24.757   8.792
   13    HZ2  TRP   2           HZ2      TRP   2  55.170  22.929   8.727
   14    HZ3  TRP   2           HZ3      TRP   2  51.300  23.242  10.612
   15    HH2  TRP   2           HH2      TRP   2  53.618  22.328  10.582
   16    H    GLY   3           HN       GLY   3  50.332  23.879   3.064
   17    HA2  GLY   3           HA1      GLY   3  49.798  21.653   3.047
   18    HA3  GLY   3           HA2      GLY   3  50.456  21.597   4.676
   19    H    SER   4           HN       SER   4  47.859  23.783   4.152
   20    HA   SER   4           HA       SER   4  46.196  22.483   6.053
   21    HB2  SER   4           HB2      SER   4  46.049  24.881   5.752
   22    HB3  SER   4           HB1      SER   4  45.604  24.682   4.059
   23    HG   SER   4           HG       SER   4  43.736  23.541   4.819
   24    H    PHE   5           HN       PHE   5  44.352  23.437   3.355
   25    HA   PHE   5           HA       PHE   5  42.859  22.277   2.042
   26    HB2  PHE   5           HB2      PHE   5  45.298  20.497   1.862
   27    HB3  PHE   5           HB1      PHE   5  43.858  20.275   0.870
   28    HD1  PHE   5           HD1      PHE   5  46.687  22.553   1.647
   29    HD2  PHE   5           HD2      PHE   5  43.319  21.796  -0.946
   30    HE1  PHE   5           HE1      PHE   5  47.502  24.306   0.075
   31    HE2  PHE   5           HE2      PHE   5  44.136  23.548  -2.518
   32    HZ   PHE   5           HZ       PHE   5  46.217  24.817  -1.998
   33    H    PHE   6           HN       PHE   6  44.413  19.294   3.010
   34    HA   PHE   6           HA       PHE   6  42.516  18.662   5.088
   35    HB2  PHE   6           HB2      PHE   6  41.170  18.363   2.992
   36    HB3  PHE   6           HB1      PHE   6  42.317  17.121   2.490
   37    HD1  PHE   6           HD1      PHE   6  42.051  14.880   3.241
   38    HD2  PHE   6           HD2      PHE   6  40.048  18.090   5.320
   39    HE1  PHE   6           HE1      PHE   6  40.834  13.215   4.639
   40    HE2  PHE   6           HE2      PHE   6  38.832  16.423   6.718
   41    HZ   PHE   6           HZ       PHE   6  39.235  13.988   6.388
   42    H    ARG   7           HN       ARG   7  45.463  18.651   4.309
   43    HA   ARG   7           HA       ARG   7  47.327  17.352   4.662
   44    HB2  ARG   7           HB2      ARG   7  45.396  15.991   6.555
   45    HB3  ARG   7           HB1      ARG   7  47.143  15.746   6.551
   46    HG2  ARG   7           HG2      ARG   7  47.425  18.219   6.888
   47    HG3  ARG   7           HG1      ARG   7  45.676  18.346   7.069
   48    HD2  ARG   7           HD2      ARG   7  45.706  16.900   9.010
   49    HD3  ARG   7           HD1      ARG   7  47.417  16.543   8.772
   50    HE   ARG   7           HE       ARG   7  47.921  18.583   9.836
   51   HH11  ARG   7          HH11      ARG   7  46.175  20.152   7.853
   52   HH12  ARG   7          HH12      ARG   7  45.084  20.944   8.941
   53   HH21  ARG   7          HH21      ARG   7  45.864  18.895  11.629
   54   HH22  ARG   7          HH22      ARG   7  44.908  20.232  11.079
   55    H    ARG   8           HN       ARG   8  46.291  16.668   2.324
   56    HA   ARG   8           HA       ARG   8  47.035  13.929   2.023
   57    HB2  ARG   8           HB2      ARG   8  44.735  13.635   2.914
   58    HB3  ARG   8           HB1      ARG   8  44.115  14.580   1.559
   59    HG2  ARG   8           HG2      ARG   8  44.835  12.945  -0.036
   60    HG3  ARG   8           HG1      ARG   8  45.801  12.094   1.170
   61    HD2  ARG   8           HD2      ARG   8  43.804  11.401   2.361
   62    HD3  ARG   8           HD1      ARG   8  42.787  12.381   1.307
   63    HE   ARG   8           HE       ARG   8  44.223  10.588  -0.347
   64   HH11  ARG   8          HH11      ARG   8  41.190  10.919  -0.128
   65   HH12  ARG   8          HH12      ARG   8  40.719   9.321   0.347
   66   HH21  ARG   8          HH21      ARG   8  43.923   8.362   1.262
   67   HH22  ARG   8          HH22      ARG   8  42.266   7.873   1.134
   68    H    ALA   9           HN       ALA   9  46.141  16.994   0.862
   69    HA   ALA   9           HA       ALA   9  45.702  16.670  -1.842
   70    HB1  ALA   9           HB1      ALA   9  45.615  18.844  -0.769
   71    HB2  ALA   9           HB2      ALA   9  46.753  18.896  -2.116
   72    HB3  ALA   9           HB3      ALA   9  47.350  18.790  -0.460
   73    H    ALA  10           HN       ALA  10  48.900  17.790  -0.814
   74    HA   ALA  10           HA       ALA  10  50.161  16.523  -3.066
   75    HB1  ALA  10           HB1      ALA  10  52.250  17.398  -2.039
   76    HB2  ALA  10           HB2      ALA  10  51.298  17.946  -0.657
   77    HB3  ALA  10           HB3      ALA  10  51.011  18.635  -2.256
   78    H    HIS  11           HN       HIS  11  48.821  14.955  -0.767
   79    HA   HIS  11           HA       HIS  11  49.155  12.972   0.342
   80    HB2  HIS  11           HB2      HIS  11  51.433  12.647  -1.624
   81    HB3  HIS  11           HB1      HIS  11  50.623  11.361  -0.729
   82    HD1  HIS  11           HD1      HIS  11  48.248  13.903  -1.789
   83    HD2  HIS  11           HD2      HIS  11  49.970  10.549  -3.563
   84    HE1  HIS  11           HE1      HIS  11  46.780  13.304  -3.763
   85    H    VAL  12           HN       VAL  12  49.781  13.958   2.306
   86    HA   VAL  12           HA       VAL  12  52.318  14.880   2.990
   87    HB   VAL  12           HB       VAL  12  50.487  13.373   4.879
   88   HG11  VAL  12          HG11      VAL  12  52.739  13.973   5.727
   89   HG12  VAL  12          HG12      VAL  12  51.474  14.887   6.549
   90   HG13  VAL  12          HG13      VAL  12  52.444  15.656   5.293
   91   HG21  VAL  12          HG21      VAL  12  49.507  15.657   5.317
   92   HG22  VAL  12          HG22      VAL  12  49.126  15.009   3.722
   93   HG23  VAL  12          HG23      VAL  12  50.376  16.240   3.898
   94    H    GLY  13           HN       GLY  13  50.969  11.650   3.713
   95    HA2  GLY  13           HA1      GLY  13  53.086  10.114   2.839
   96    HA3  GLY  13           HA2      GLY  13  53.487  10.570   4.489
   97    H    ARG  14           HN       ARG  14  50.472   9.609   2.845
   98    HA   ARG  14           HA       ARG  14  50.299   7.110   4.213
   99    HB2  ARG  14           HB2      ARG  14  49.767   8.865   6.020
  100    HB3  ARG  14           HB1      ARG  14  48.275   9.160   5.132
  101    HG2  ARG  14           HG2      ARG  14  47.607   6.829   5.395
  102    HG3  ARG  14           HG1      ARG  14  49.148   6.439   6.158
  103    HD2  ARG  14           HD2      ARG  14  47.228   6.809   7.771
  104    HD3  ARG  14           HD1      ARG  14  48.646   7.816   8.063
  105    HE   ARG  14           HE       ARG  14  47.225   9.652   7.719
  106   HH11  ARG  14          HH11      ARG  14  46.560  10.408   5.370
  107   HH12  ARG  14          HH12      ARG  14  45.056   9.702   4.880
  108   HH21  ARG  14          HH21      ARG  14  45.119   7.232   7.312
  109   HH22  ARG  14          HH22      ARG  14  44.240   7.906   5.979
  110    H    HIS  15           HN       HIS  15  50.157   7.651   1.569
  111    HA   HIS  15           HA       HIS  15  47.429   7.993   0.670
  112    HB2  HIS  15           HB2      HIS  15  49.353   8.738  -0.693
  113    HB3  HIS  15           HB1      HIS  15  49.876   7.060  -0.850
  114    HD1  HIS  15           HD1      HIS  15  49.218   6.210  -3.093
  115    HD2  HIS  15           HD2      HIS  15  46.253   8.635  -1.453
  116    HE1  HIS  15           HE1      HIS  15  47.309   6.230  -4.756
  117    H    VAL  16           HN       VAL  16  46.279   6.321   1.698
  118    HA   VAL  16           HA       VAL  16  45.423   4.204   1.968
  119    HB   VAL  16           HB       VAL  16  46.552   3.684  -0.797
  120   HG11  VAL  16          HG11      VAL  16  44.168   2.602   0.737
  121   HG12  VAL  16          HG12      VAL  16  45.634   1.715   0.321
  122   HG13  VAL  16          HG13      VAL  16  44.526   2.231  -0.950
  123   HG21  VAL  16          HG21      VAL  16  44.353   4.555  -1.607
  124   HG22  VAL  16          HG22      VAL  16  45.331   5.804  -0.833
  125   HG23  VAL  16          HG23      VAL  16  43.985   5.072   0.039
  126    H    GLY  17           HN       GLY  17  47.255   3.984   3.567
  127    HA2  GLY  17           HA1      GLY  17  48.862   2.686   4.554
  128    HA3  GLY  17           HA2      GLY  17  48.376   1.432   3.422
  129    H    ARG  18           HN       ARG  18  49.862   4.597   2.799
  130    HA   ARG  18           HA       ARG  18  51.738   5.161   1.592
  131    HB2  ARG  18           HB2      ARG  18  52.715   4.155   3.702
  132    HB3  ARG  18           HB1      ARG  18  52.917   2.652   2.800
  133    HG2  ARG  18           HG2      ARG  18  54.306   3.831   1.137
  134    HG3  ARG  18           HG1      ARG  18  54.104   5.337   2.033
  135    HD2  ARG  18           HD2      ARG  18  56.262   4.158   2.544
  136    HD3  ARG  18           HD1      ARG  18  55.245   4.409   3.963
  137    HE   ARG  18           HE       ARG  18  54.765   1.830   2.707
  138   HH11  ARG  18          HH11      ARG  18  57.113   0.736   3.021
  139   HH12  ARG  18          HH12      ARG  18  57.502   0.630   4.705
  140   HH21  ARG  18          HH21      ARG  18  55.116   2.953   5.673
  141   HH22  ARG  18          HH22      ARG  18  56.371   1.884   6.207
  142    H    ALA  19           HN       ALA  19  50.613   4.673  -0.412
  143    HA   ALA  19           HA       ALA  19  50.470   3.715  -2.493
  144    HB1  ALA  19           HB1      ALA  19  52.965   4.071  -2.284
  145    HB2  ALA  19           HB2      ALA  19  52.472   2.806  -3.409
  146    HB3  ALA  19           HB3      ALA  19  53.085   2.376  -1.811
  147    H    ALA  20           HN       ALA  20  51.828   1.045  -3.024
  148    HA   ALA  20           HA       ALA  20  50.552  -0.888  -1.350
  149    HB1  ALA  20           HB1      ALA  20  48.595   0.053  -2.596
  150    HB2  ALA  20           HB2      ALA  20  48.851  -1.673  -2.855
  151    HB3  ALA  20           HB3      ALA  20  49.341  -0.513  -4.090
  152    H    LEU  21           HN       LEU  21  50.123  -2.675  -3.728
  153    HA   LEU  21           HA       LEU  21  52.803  -3.717  -3.858
  154    HB2  LEU  21           HB2      LEU  21  50.493  -4.626  -5.578
  155    HB3  LEU  21           HB1      LEU  21  51.854  -5.572  -4.972
  156    HG   LEU  21           HG       LEU  21  49.580  -4.416  -3.332
  157   HD11  LEU  21          HD11      LEU  21  48.971  -6.723  -2.953
  158   HD12  LEU  21          HD12      LEU  21  50.423  -7.293  -3.775
  159   HD13  LEU  21          HD13      LEU  21  49.146  -6.496  -4.693
  160   HD21  LEU  21          HD21      LEU  21  51.528  -4.266  -1.952
  161   HD22  LEU  21          HD22      LEU  21  52.149  -5.812  -2.530
  162   HD23  LEU  21          HD23      LEU  21  50.736  -5.767  -1.475
  163    H    THR  22           HN       THR  22  52.110  -1.023  -5.082
  164    HA   THR  22           HA       THR  22  52.340  -1.278  -7.911
  165    HB   THR  22           HB       THR  22  52.945   1.160  -7.830
  166    HG1  THR  22           HG1      THR  22  53.815   0.674  -5.538
  167   HG21  THR  22          HG21      THR  22  50.543   0.196  -6.262
  168   HG22  THR  22          HG22      THR  22  50.613   0.585  -7.981
  169   HG23  THR  22          HG23      THR  22  50.757   1.869  -6.781
  170    H    HIS  23           HN       HIS  23  54.095  -1.453  -9.186
  171    HA   HIS  23           HA       HIS  23  56.576  -2.281  -8.150
  172    HB2  HIS  23           HB2      HIS  23  55.839  -1.200 -10.879
  173    HB3  HIS  23           HB1      HIS  23  57.397  -1.929 -10.493
  174    HD1  HIS  23           HD1      HIS  23  57.236  -4.475  -9.519
  175    HD2  HIS  23           HD2      HIS  23  53.845  -3.045 -11.477
  176    HE1  HIS  23           HE1      HIS  23  55.851  -6.505 -10.131
  177    H    TYR  24           HN       TYR  24  57.016  -0.607  -6.558
  178    HA   TYR  24           HA       TYR  24  58.879   1.321  -7.514
  179    HB2  TYR  24           HB2      TYR  24  56.812   2.509  -8.144
  180    HB3  TYR  24           HB1      TYR  24  56.254   2.412  -6.474
  181    HD1  TYR  24           HD1      TYR  24  56.901   4.073  -4.893
  182    HD2  TYR  24           HD2      TYR  24  59.098   3.646  -8.585
  183    HE1  TYR  24           HE1      TYR  24  58.205   6.127  -4.356
  184    HE2  TYR  24           HE2      TYR  24  60.400   5.701  -8.047
  185    HH   TYR  24           HH       TYR  24  60.358   7.582  -6.770
  186    H    LEU  25           HN       LEU  25  60.004   0.023  -5.908
  187    HA   LEU  25           HA       LEU  25  60.077   1.322  -3.358
  188    HB2  LEU  25           HB2      LEU  25  59.680  -0.998  -2.152
  189    HB3  LEU  25           HB1      LEU  25  58.303   0.008  -2.595
  190    HG   LEU  25           HG       LEU  25  57.940  -1.286  -4.622
  191   HD11  LEU  25          HD11      LEU  25  59.358  -3.417  -4.904
  192   HD12  LEU  25          HD12      LEU  25  60.501  -2.668  -3.791
  193   HD13  LEU  25          HD13      LEU  25  60.129  -1.894  -5.332
  194   HD21  LEU  25          HD21      LEU  25  57.271  -3.393  -3.604
  195   HD22  LEU  25          HD22      LEU  25  57.009  -2.095  -2.438
  196   HD23  LEU  25          HD23      LEU  25  58.411  -3.155  -2.279
  Start of MODEL   45
    1    H1   GLY   1           HT1      GLY   1  48.286  16.508   7.728
    2    H2   GLY   1           HT2      GLY   1  48.039  15.278   8.874
    3    H3   GLY   1           HT3      GLY   1  49.472  16.193   8.898
    4    HA2  GLY   1           HA1      GLY   1  47.592  18.077   9.055
    5    HA3  GLY   1           HA2      GLY   1  46.902  16.754   9.985
    6    H    TRP   2           HN       TRP   2  50.350  17.090   9.707
    7    HA   TRP   2           HA       TRP   2  50.765  18.697  12.021
    8    HB2  TRP   2           HB2      TRP   2  51.623  16.892  13.508
    9    HB3  TRP   2           HB1      TRP   2  49.887  16.774  13.219
   10    HD1  TRP   2           HD1      TRP   2  53.207  15.226  12.036
   11    HE1  TRP   2           HE1      TRP   2  52.731  12.853  11.146
   12    HE3  TRP   2           HE3      TRP   2  48.098  15.183  12.360
   13    HZ2  TRP   2           HZ2      TRP   2  50.475  11.147  10.633
   14    HZ3  TRP   2           HZ3      TRP   2  46.805  13.171  11.664
   15    HH2  TRP   2           HH2      TRP   2  47.987  11.156  10.801
   16    H    GLY   3           HN       GLY   3  51.870  16.449   9.618
   17    HA2  GLY   3           HA1      GLY   3  54.255  17.857   9.122
   18    HA3  GLY   3           HA2      GLY   3  54.624  16.455  10.115
   19    H    SER   4           HN       SER   4  52.578  17.177   7.279
   20    HA   SER   4           HA       SER   4  54.035  15.404   5.578
   21    HB2  SER   4           HB2      SER   4  52.185  13.752   5.260
   22    HB3  SER   4           HB1      SER   4  52.936  13.666   6.850
   23    HG   SER   4           HG       SER   4  50.516  13.741   6.662
   24    H    PHE   5           HN       PHE   5  50.638  15.283   5.137
   25    HA   PHE   5           HA       PHE   5  50.803  16.884   2.745
   26    HB2  PHE   5           HB2      PHE   5  48.361  16.397   2.586
   27    HB3  PHE   5           HB1      PHE   5  49.346  14.945   2.772
   28    HD1  PHE   5           HD1      PHE   5  47.107  17.334   4.544
   29    HD2  PHE   5           HD2      PHE   5  49.195  13.562   4.752
   30    HE1  PHE   5           HE1      PHE   5  45.840  16.746   6.607
   31    HE2  PHE   5           HE2      PHE   5  47.927  12.975   6.815
   32    HZ   PHE   5           HZ       PHE   5  46.296  14.595   7.776
   33    H    PHE   6           HN       PHE   6  48.633  18.357   2.514
   34    HA   PHE   6           HA       PHE   6  48.121  20.015   4.836
   35    HB2  PHE   6           HB2      PHE   6  49.726  21.077   2.497
   36    HB3  PHE   6           HB1      PHE   6  48.941  22.099   3.702
   37    HD1  PHE   6           HD1      PHE   6  51.755  19.856   3.009
   38    HD2  PHE   6           HD2      PHE   6  49.635  21.994   6.104
   39    HE1  PHE   6           HE1      PHE   6  53.690  19.548   4.549
   40    HE2  PHE   6           HE2      PHE   6  51.571  21.685   7.642
   41    HZ   PHE   6           HZ       PHE   6  53.602  20.471   6.861
   42    H    ARG   7           HN       ARG   7  46.551  18.417   3.032
   43    HA   ARG   7           HA       ARG   7  44.613  18.514   1.801
   44    HB2  ARG   7           HB2      ARG   7  44.403  21.331   2.881
   45    HB3  ARG   7           HB1      ARG   7  43.085  20.283   2.355
   46    HG2  ARG   7           HG2      ARG   7  43.639  18.690   4.167
   47    HG3  ARG   7           HG1      ARG   7  44.926  19.769   4.710
   48    HD2  ARG   7           HD2      ARG   7  41.967  20.425   4.606
   49    HD3  ARG   7           HD1      ARG   7  42.922  20.143   6.062
   50    HE   ARG   7           HE       ARG   7  42.802  22.622   4.595
   51   HH11  ARG   7          HH11      ARG   7  45.630  22.076   4.133
   52   HH12  ARG   7          HH12      ARG   7  46.395  22.632   5.585
   53   HH21  ARG   7          HH21      ARG   7  43.459  22.668   7.431
   54   HH22  ARG   7          HH22      ARG   7  45.165  22.965   7.452
   55    H    ARG   8           HN       ARG   8  46.875  19.000   0.307
   56    HA   ARG   8           HA       ARG   8  45.783  20.415  -1.930
   57    HB2  ARG   8           HB2      ARG   8  46.603  22.321  -0.550
   58    HB3  ARG   8           HB1      ARG   8  48.223  21.628  -0.613
   59    HG2  ARG   8           HG2      ARG   8  48.273  21.827  -3.036
   60    HG3  ARG   8           HG1      ARG   8  46.594  22.371  -3.058
   61    HD2  ARG   8           HD2      ARG   8  48.268  24.242  -3.241
   62    HD3  ARG   8           HD1      ARG   8  47.171  24.401  -1.870
   63    HE   ARG   8           HE       ARG   8  49.446  23.011  -0.938
   64   HH11  ARG   8          HH11      ARG   8  51.514  24.090  -0.713
   65   HH12  ARG   8          HH12      ARG   8  51.490  25.818  -0.587
   66   HH21  ARG   8          HH21      ARG   8  48.145  26.100  -1.455
   67   HH22  ARG   8          HH22      ARG   8  49.583  26.956  -1.008
   68    H    ALA   9           HN       ALA   9  48.567  18.945  -0.352
   69    HA   ALA   9           HA       ALA   9  50.235  18.533  -2.541
   70    HB1  ALA   9           HB1      ALA   9  51.101  16.584  -1.262
   71    HB2  ALA   9           HB2      ALA   9  49.755  16.769  -0.137
   72    HB3  ALA   9           HB3      ALA   9  50.962  18.046  -0.286
   73    H    ALA  10           HN       ALA  10  50.656  15.891  -2.954
   74    HA   ALA  10           HA       ALA  10  48.556  15.222  -4.800
   75    HB1  ALA  10           HB1      ALA  10  50.895  13.517  -3.948
   76    HB2  ALA  10           HB2      ALA  10  50.997  14.782  -5.172
   77    HB3  ALA  10           HB3      ALA  10  49.955  13.383  -5.434
   78    H    HIS  11           HN       HIS  11  48.618  14.963  -1.561
   79    HA   HIS  11           HA       HIS  11  47.946  12.328  -0.932
   80    HB2  HIS  11           HB2      HIS  11  48.366  14.125   0.736
   81    HB3  HIS  11           HB1      HIS  11  46.804  14.834   0.324
   82    HD1  HIS  11           HD1      HIS  11  45.268  14.265   2.210
   83    HD2  HIS  11           HD2      HIS  11  47.648  11.016   1.134
   84    HE1  HIS  11           HE1      HIS  11  44.467  12.300   3.593
   85    H    VAL  12           HN       VAL  12  45.682  15.031  -1.529
   86    HA   VAL  12           HA       VAL  12  43.401  13.316  -1.686
   87    HB   VAL  12           HB       VAL  12  42.203  15.319  -2.488
   88   HG11  VAL  12          HG11      VAL  12  42.567  15.096  -0.084
   89   HG12  VAL  12          HG12      VAL  12  42.718  16.793  -0.539
   90   HG13  VAL  12          HG13      VAL  12  44.164  15.831  -0.231
   91   HG21  VAL  12          HG21      VAL  12  43.847  16.297  -3.957
   92   HG22  VAL  12          HG22      VAL  12  45.011  16.453  -2.642
   93   HG23  VAL  12          HG23      VAL  12  43.561  17.457  -2.661
   94    H    GLY  13           HN       GLY  13  45.917  13.965  -3.835
   95    HA2  GLY  13           HA1      GLY  13  44.464  13.823  -6.300
   96    HA3  GLY  13           HA2      GLY  13  46.205  13.681  -6.101
   97    H    ARG  14           HN       ARG  14  47.139  11.659  -5.795
   98    HA   ARG  14           HA       ARG  14  45.627   9.264  -5.464
   99    HB2  ARG  14           HB2      ARG  14  46.096   8.325  -7.743
  100    HB3  ARG  14           HB1      ARG  14  44.913   9.633  -7.739
  101    HG2  ARG  14           HG2      ARG  14  46.740  11.233  -8.328
  102    HG3  ARG  14           HG1      ARG  14  47.853   9.870  -8.445
  103    HD2  ARG  14           HD2      ARG  14  45.417  10.422 -10.151
  104    HD3  ARG  14           HD1      ARG  14  47.096  10.297 -10.674
  105    HE   ARG  14           HE       ARG  14  46.464   7.824  -9.495
  106   HH11  ARG  14          HH11      ARG  14  44.606   9.679 -11.649
  107   HH12  ARG  14          HH12      ARG  14  44.435   8.425 -12.831
  108   HH21  ARG  14          HH21      ARG  14  46.589   6.241 -11.213
  109   HH22  ARG  14          HH22      ARG  14  45.557   6.478 -12.584
  110    H    HIS  15           HN       HIS  15  47.909  10.430  -4.278
  111    HA   HIS  15           HA       HIS  15  50.366   9.452  -5.231
  112    HB2  HIS  15           HB2      HIS  15  50.063  11.167  -3.424
  113    HB3  HIS  15           HB1      HIS  15  49.592   9.862  -2.336
  114    HD1  HIS  15           HD1      HIS  15  51.492   8.988  -0.995
  115    HD2  HIS  15           HD2      HIS  15  52.769  10.351  -4.720
  116    HE1  HIS  15           HE1      HIS  15  54.006   8.688  -1.044
  117    H    VAL  16           HN       VAL  16  49.882   7.305  -5.968
  118    HA   VAL  16           HA       VAL  16  49.883   5.017  -5.789
  119    HB   VAL  16           HB       VAL  16  50.912   5.439  -2.970
  120   HG11  VAL  16          HG11      VAL  16  51.364   3.250  -5.023
  121   HG12  VAL  16          HG12      VAL  16  50.300   3.125  -3.622
  122   HG13  VAL  16          HG13      VAL  16  52.041   3.295  -3.395
  123   HG21  VAL  16          HG21      VAL  16  53.165   5.471  -3.973
  124   HG22  VAL  16          HG22      VAL  16  52.200   6.821  -4.572
  125   HG23  VAL  16          HG23      VAL  16  52.453   5.401  -5.585
  126    H    GLY  17           HN       GLY  17  47.459   5.446  -5.737
  127    HA2  GLY  17           HA1      GLY  17  45.364   5.065  -4.871
  128    HA3  GLY  17           HA2      GLY  17  46.130   3.634  -4.199
  129    H    ARG  18           HN       ARG  18  46.022   7.138  -3.525
  130    HA   ARG  18           HA       ARG  18  45.897   8.285  -1.535
  131    HB2  ARG  18           HB2      ARG  18  44.132   5.967  -0.724
  132    HB3  ARG  18           HB1      ARG  18  44.100   7.607  -0.075
  133    HG2  ARG  18           HG2      ARG  18  43.477   8.475  -2.306
  134    HG3  ARG  18           HG1      ARG  18  43.484   6.829  -2.941
  135    HD2  ARG  18           HD2      ARG  18  41.192   7.518  -2.375
  136    HD3  ARG  18           HD1      ARG  18  41.719   6.205  -1.324
  137    HE   ARG  18           HE       ARG  18  42.283   8.780  -0.134
  138   HH11  ARG  18          HH11      ARG  18  39.313   8.436  -1.191
  139   HH12  ARG  18          HH12      ARG  18  38.540   8.030   0.305
  140   HH21  ARG  18          HH21      ARG  18  41.511   7.403   1.978
  141   HH22  ARG  18          HH22      ARG  18  39.784   7.445   2.098
  142    H    ALA  19           HN       ALA  19  48.258   7.261  -1.476
  143    HA   ALA  19           HA       ALA  19  49.959   6.328  -0.230
  144    HB1  ALA  19           HB1      ALA  19  48.199   7.134   2.081
  145    HB2  ALA  19           HB2      ALA  19  49.169   8.271   1.145
  146    HB3  ALA  19           HB3      ALA  19  49.956   6.991   2.070
  147    H    ALA  20           HN       ALA  20  49.298   4.164  -1.028
  148    HA   ALA  20           HA       ALA  20  47.754   2.454   0.721
  149    HB1  ALA  20           HB1      ALA  20  48.460   0.672  -0.852
  150    HB2  ALA  20           HB2      ALA  20  49.483   1.846  -1.682
  151    HB3  ALA  20           HB3      ALA  20  47.731   2.054  -1.670
  152    H    LEU  21           HN       LEU  21  50.615   3.803   1.234
  153    HA   LEU  21           HA       LEU  21  52.452   3.310   2.522
  154    HB2  LEU  21           HB2      LEU  21  50.919   0.902   3.515
  155    HB3  LEU  21           HB1      LEU  21  52.120   1.866   4.375
  156    HG   LEU  21           HG       LEU  21  49.344   2.762   3.541
  157   HD11  LEU  21          HD11      LEU  21  49.418   1.292   5.520
  158   HD12  LEU  21          HD12      LEU  21  48.996   2.942   5.982
  159   HD13  LEU  21          HD13      LEU  21  50.631   2.339   6.258
  160   HD21  LEU  21          HD21      LEU  21  51.688   4.267   4.738
  161   HD22  LEU  21          HD22      LEU  21  50.026   4.826   4.933
  162   HD23  LEU  21          HD23      LEU  21  50.725   4.694   3.324
  163    H    THR  22           HN       THR  22  52.495   2.368  -0.119
  164    HA   THR  22           HA       THR  22  53.289  -0.365  -0.283
  165    HB   THR  22           HB       THR  22  54.076   1.856  -2.187
  166    HG1  THR  22           HG1      THR  22  51.690   1.286  -1.529
  167   HG21  THR  22          HG21      THR  22  55.224  -0.296  -2.510
  168   HG22  THR  22          HG22      THR  22  54.089   0.006  -3.825
  169   HG23  THR  22          HG23      THR  22  53.668  -1.127  -2.541
  170    H    HIS  23           HN       HIS  23  55.110   2.690  -0.165
  171    HA   HIS  23           HA       HIS  23  57.303   3.143   0.340
  172    HB2  HIS  23           HB2      HIS  23  56.512   2.056   2.486
  173    HB3  HIS  23           HB1      HIS  23  57.209   0.548   1.895
  174    HD1  HIS  23           HD1      HIS  23  59.550   0.181   2.646
  175    HD2  HIS  23           HD2      HIS  23  58.641   4.242   2.436
  176    HE1  HIS  23           HE1      HIS  23  61.629   1.419   3.392
  177    H    TYR  24           HN       TYR  24  59.577   2.306   0.153
  178    HA   TYR  24           HA       TYR  24  59.982   1.102  -2.350
  179    HB2  TYR  24           HB2      TYR  24  61.919   1.326  -0.031
  180    HB3  TYR  24           HB1      TYR  24  62.353   1.004  -1.709
  181    HD1  TYR  24           HD1      TYR  24  61.221   3.546   0.698
  182    HD2  TYR  24           HD2      TYR  24  62.076   2.740  -3.455
  183    HE1  TYR  24           HE1      TYR  24  61.231   5.992   0.225
  184    HE2  TYR  24           HE2      TYR  24  62.084   5.186  -3.928
  185    HH   TYR  24           HH       TYR  24  61.767   7.224  -3.094
  186    H    LEU  25           HN       LEU  25  62.090  -0.511  -0.312
  187    HA   LEU  25           HA       LEU  25  61.106  -3.077  -1.087
  188    HB2  LEU  25           HB2      LEU  25  63.544  -2.262  -0.492
  189    HB3  LEU  25           HB1      LEU  25  63.093  -2.698   1.152
  190    HG   LEU  25           HG       LEU  25  63.045  -4.525  -1.274
  191   HD11  LEU  25          HD11      LEU  25  64.829  -5.720  -0.067
  192   HD12  LEU  25          HD12      LEU  25  64.746  -4.539   1.239
  193   HD13  LEU  25          HD13      LEU  25  65.294  -4.044  -0.363
  194   HD21  LEU  25          HD21      LEU  25  62.582  -6.275   0.578
  195   HD22  LEU  25          HD22      LEU  25  61.237  -5.248   0.092
  196   HD23  LEU  25          HD23      LEU  25  62.114  -4.903   1.585
  Start of MODEL   46
    1    H1   GLY   1           HT1      GLY   1  43.536  20.898  15.718
    2    H2   GLY   1           HT2      GLY   1  42.838  20.190  14.339
    3    H3   GLY   1           HT3      GLY   1  42.566  21.831  14.688
    4    HA2  GLY   1           HA1      GLY   1  44.174  21.396  12.900
    5    HA3  GLY   1           HA2      GLY   1  44.736  22.418  14.215
    6    H    TRP   2           HN       TRP   2  46.410  20.972  12.441
    7    HA   TRP   2           HA       TRP   2  48.146  19.711  14.311
    8    HB2  TRP   2           HB2      TRP   2  46.458  17.893  14.023
    9    HB3  TRP   2           HB1      TRP   2  46.840  17.862  12.301
   10    HD1  TRP   2           HD1      TRP   2  48.881  16.500  11.563
   11    HE1  TRP   2           HE1      TRP   2  50.745  15.201  12.783
   12    HE3  TRP   2           HE3      TRP   2  47.952  17.965  16.379
   13    HZ2  TRP   2           HZ2      TRP   2  51.723  14.827  15.459
   14    HZ3  TRP   2           HZ3      TRP   2  49.364  17.124  18.250
   15    HH2  TRP   2           HH2      TRP   2  51.247  15.558  17.795
   16    H    GLY   3           HN       GLY   3  47.348  21.020  11.334
   17    HA2  GLY   3           HA1      GLY   3  49.939  21.581  10.533
   18    HA3  GLY   3           HA2      GLY   3  49.485  20.092   9.715
   19    H    SER   4           HN       SER   4  46.608  21.135   9.827
   20    HA   SER   4           HA       SER   4  45.172  22.155   8.355
   21    HB2  SER   4           HB2      SER   4  47.324  24.255   8.081
   22    HB3  SER   4           HB1      SER   4  45.588  24.456   7.857
   23    HG   SER   4           HG       SER   4  45.654  24.991   9.897
   24    H    PHE   5           HN       PHE   5  46.665  20.132   7.225
   25    HA   PHE   5           HA       PHE   5  47.946  20.970   4.793
   26    HB2  PHE   5           HB2      PHE   5  47.888  18.541   4.243
   27    HB3  PHE   5           HB1      PHE   5  48.597  18.874   5.823
   28    HD1  PHE   5           HD1      PHE   5  45.680  17.492   4.032
   29    HD2  PHE   5           HD2      PHE   5  47.401  18.333   7.900
   30    HE1  PHE   5           HE1      PHE   5  43.977  16.028   5.108
   31    HE2  PHE   5           HE2      PHE   5  45.696  16.870   8.977
   32    HZ   PHE   5           HZ       PHE   5  44.035  15.655   7.572
   33    H    PHE   6           HN       PHE   6  47.189  20.480   2.645
   34    HA   PHE   6           HA       PHE   6  44.402  19.852   2.192
   35    HB2  PHE   6           HB2      PHE   6  45.442  22.661   1.746
   36    HB3  PHE   6           HB1      PHE   6  43.983  22.036   0.977
   37    HD1  PHE   6           HD1      PHE   6  45.294  23.627   3.913
   38    HD2  PHE   6           HD2      PHE   6  42.187  20.958   2.547
   39    HE1  PHE   6           HE1      PHE   6  43.968  24.118   5.964
   40    HE2  PHE   6           HE2      PHE   6  40.863  21.451   4.599
   41    HZ   PHE   6           HZ       PHE   6  41.751  23.036   6.304
   42    H    ARG   7           HN       ARG   7  47.618  20.463   1.187
   43    HA   ARG   7           HA       ARG   7  47.324  18.864  -1.159
   44    HB2  ARG   7           HB2      ARG   7  46.372  21.140  -1.853
   45    HB3  ARG   7           HB1      ARG   7  48.017  21.758  -1.703
   46    HG2  ARG   7           HG2      ARG   7  48.749  19.915  -3.281
   47    HG3  ARG   7           HG1      ARG   7  47.042  19.561  -3.549
   48    HD2  ARG   7           HD2      ARG   7  48.441  22.195  -4.096
   49    HD3  ARG   7           HD1      ARG   7  47.825  21.063  -5.301
   50    HE   ARG   7           HE       ARG   7  45.705  21.852  -3.529
   51   HH11  ARG   7          HH11      ARG   7  46.305  24.553  -3.849
   52   HH12  ARG   7          HH12      ARG   7  45.772  24.984  -5.439
   53   HH21  ARG   7          HH21      ARG   7  45.614  21.707  -6.562
   54   HH22  ARG   7          HH22      ARG   7  45.381  23.372  -6.975
   55    H    ARG   8           HN       ARG   8  48.942  18.347   0.838
   56    HA   ARG   8           HA       ARG   8  51.637  18.882  -0.238
   57    HB2  ARG   8           HB2      ARG   8  51.028  19.100   2.716
   58    HB3  ARG   8           HB1      ARG   8  52.538  19.487   1.889
   59    HG2  ARG   8           HG2      ARG   8  51.297  21.266   0.611
   60    HG3  ARG   8           HG1      ARG   8  49.896  20.948   1.634
   61    HD2  ARG   8           HD2      ARG   8  51.382  21.395   3.638
   62    HD3  ARG   8           HD1      ARG   8  52.616  21.952   2.508
   63    HE   ARG   8           HE       ARG   8  50.216  23.345   1.915
   64   HH11  ARG   8          HH11      ARG   8  52.104  25.261   2.095
   65   HH12  ARG   8          HH12      ARG   8  52.100  25.873   3.715
   66   HH21  ARG   8          HH21      ARG   8  50.394  23.152   5.021
   67   HH22  ARG   8          HH22      ARG   8  51.131  24.679   5.372
   68    H    ALA   9           HN       ALA   9  49.347  16.727   0.729
   69    HA   ALA   9           HA       ALA   9  51.151  14.516   0.666
   70    HB1  ALA   9           HB1      ALA   9  50.636  13.691   2.969
   71    HB2  ALA   9           HB2      ALA   9  49.922  15.265   3.321
   72    HB3  ALA   9           HB3      ALA   9  51.640  15.141   2.939
   73    H    ALA  10           HN       ALA  10  49.149  14.870  -0.987
   74    HA   ALA  10           HA       ALA  10  47.430  12.640  -0.505
   75    HB1  ALA  10           HB1      ALA  10  46.200  14.150   0.893
   76    HB2  ALA  10           HB2      ALA  10  45.294  13.956  -0.608
   77    HB3  ALA  10           HB3      ALA  10  46.250  15.413  -0.336
   78    H    HIS  11           HN       HIS  11  46.406  15.534  -2.217
   79    HA   HIS  11           HA       HIS  11  46.130  14.108  -4.680
   80    HB2  HIS  11           HB2      HIS  11  46.056  17.097  -4.210
   81    HB3  HIS  11           HB1      HIS  11  45.402  16.232  -5.601
   82    HD1  HIS  11           HD1      HIS  11  43.787  14.032  -4.511
   83    HD2  HIS  11           HD2      HIS  11  43.901  17.744  -2.618
   84    HE1  HIS  11           HE1      HIS  11  41.715  14.160  -3.059
   85    H    VAL  12           HN       VAL  12  48.707  15.814  -3.183
   86    HA   VAL  12           HA       VAL  12  50.131  16.819  -5.360
   87    HB   VAL  12           HB       VAL  12  50.773  17.202  -2.984
   88   HG11  VAL  12          HG11      VAL  12  50.410  14.776  -2.327
   89   HG12  VAL  12          HG12      VAL  12  51.892  15.504  -1.710
   90   HG13  VAL  12          HG13      VAL  12  51.956  14.414  -3.094
   91   HG21  VAL  12          HG21      VAL  12  52.997  15.913  -4.600
   92   HG22  VAL  12          HG22      VAL  12  53.171  17.160  -3.365
   93   HG23  VAL  12          HG23      VAL  12  52.376  17.536  -4.894
   94    H    GLY  13           HN       GLY  13  49.606  13.544  -4.349
   95    HA2  GLY  13           HA1      GLY  13  50.665  12.495  -6.770
   96    HA3  GLY  13           HA2      GLY  13  51.769  12.205  -5.433
   97    H    ARG  14           HN       ARG  14  48.474  11.660  -6.582
   98    HA   ARG  14           HA       ARG  14  47.694   9.874  -4.519
   99    HB2  ARG  14           HB2      ARG  14  46.143  11.041  -6.122
  100    HB3  ARG  14           HB1      ARG  14  46.685   9.920  -7.372
  101    HG2  ARG  14           HG2      ARG  14  45.882   8.018  -6.091
  102    HG3  ARG  14           HG1      ARG  14  45.476   9.060  -4.727
  103    HD2  ARG  14           HD2      ARG  14  43.444   8.590  -5.981
  104    HD3  ARG  14           HD1      ARG  14  43.870  10.287  -6.204
  105    HE   ARG  14           HE       ARG  14  45.033   8.684  -8.295
  106   HH11  ARG  14          HH11      ARG  14  42.835   7.485  -9.191
  107   HH12  ARG  14          HH12      ARG  14  41.765   8.681  -9.845
  108   HH21  ARG  14          HH21      ARG  14  43.326  11.333  -8.246
  109   HH22  ARG  14          HH22      ARG  14  42.044  10.859  -9.309
  110    H    HIS  15           HN       HIS  15  49.777   9.543  -7.220
  111    HA   HIS  15           HA       HIS  15  49.517   6.843  -7.883
  112    HB2  HIS  15           HB2      HIS  15  51.978   8.603  -7.827
  113    HB3  HIS  15           HB1      HIS  15  51.920   7.004  -8.567
  114    HD1  HIS  15           HD1      HIS  15  49.182   7.100  -9.931
  115    HD2  HIS  15           HD2      HIS  15  51.888  10.269 -10.048
  116    HE1  HIS  15           HE1      HIS  15  48.584   8.478 -11.970
  117    H    VAL  16           HN       VAL  16  52.435   7.839  -6.182
  118    HA   VAL  16           HA       VAL  16  52.682   5.349  -4.838
  119    HB   VAL  16           HB       VAL  16  54.552   6.408  -3.621
  120   HG11  VAL  16          HG11      VAL  16  54.994   5.586  -5.869
  121   HG12  VAL  16          HG12      VAL  16  55.870   7.100  -5.638
  122   HG13  VAL  16          HG13      VAL  16  54.375   7.080  -6.574
  123   HG21  VAL  16          HG21      VAL  16  55.069   8.817  -4.207
  124   HG22  VAL  16          HG22      VAL  16  53.637   8.607  -3.200
  125   HG23  VAL  16          HG23      VAL  16  53.463   8.920  -4.926
  126    H    GLY  17           HN       GLY  17  51.049   8.298  -4.074
  127    HA2  GLY  17           HA1      GLY  17  50.996   8.147  -1.270
  128    HA3  GLY  17           HA2      GLY  17  49.797   8.955  -2.271
  129    H    ARG  18           HN       ARG  18  48.404   7.214  -3.541
  130    HA   ARG  18           HA       ARG  18  46.737   5.972  -1.694
  131    HB2  ARG  18           HB2      ARG  18  46.137   6.487  -4.056
  132    HB3  ARG  18           HB1      ARG  18  47.151   5.142  -4.575
  133    HG2  ARG  18           HG2      ARG  18  45.780   3.554  -3.376
  134    HG3  ARG  18           HG1      ARG  18  44.855   4.852  -2.621
  135    HD2  ARG  18           HD2      ARG  18  44.983   4.427  -5.616
  136    HD3  ARG  18           HD1      ARG  18  43.708   3.761  -4.595
  137    HE   ARG  18           HE       ARG  18  43.935   6.529  -5.434
  138   HH11  ARG  18          HH11      ARG  18  42.707   4.265  -3.151
  139   HH12  ARG  18          HH12      ARG  18  41.613   5.392  -2.421
  140   HH21  ARG  18          HH21      ARG  18  42.616   8.057  -4.397
  141   HH22  ARG  18          HH22      ARG  18  41.561   7.537  -3.125
  142    H    ALA  19           HN       ALA  19  48.651   4.110  -4.050
  143    HA   ALA  19           HA       ALA  19  48.592   1.736  -2.495
  144    HB1  ALA  19           HB1      ALA  19  50.351   2.573  -4.803
  145    HB2  ALA  19           HB2      ALA  19  48.879   1.605  -4.882
  146    HB3  ALA  19           HB3      ALA  19  50.325   0.949  -4.114
  147    H    ALA  20           HN       ALA  20  49.293   2.619  -0.420
  148    HA   ALA  20           HA       ALA  20  51.987   3.565  -0.087
  149    HB1  ALA  20           HB1      ALA  20  50.112   4.185   1.419
  150    HB2  ALA  20           HB2      ALA  20  51.496   3.510   2.281
  151    HB3  ALA  20           HB3      ALA  20  50.065   2.518   1.995
  152    H    LEU  21           HN       LEU  21  50.307   0.518   0.705
  153    HA   LEU  21           HA       LEU  21  52.735  -0.782   1.564
  154    HB2  LEU  21           HB2      LEU  21  50.155  -2.165   0.819
  155    HB3  LEU  21           HB1      LEU  21  51.378  -2.678   1.981
  156    HG   LEU  21           HG       LEU  21  49.531  -0.287   2.245
  157   HD11  LEU  21          HD11      LEU  21  48.554  -2.564   2.661
  158   HD12  LEU  21          HD12      LEU  21  48.558  -1.529   4.089
  159   HD13  LEU  21          HD13      LEU  21  49.765  -2.803   3.920
  160   HD21  LEU  21          HD21      LEU  21  51.871  -1.244   3.917
  161   HD22  LEU  21          HD22      LEU  21  50.597  -0.228   4.594
  162   HD23  LEU  21          HD23      LEU  21  51.586   0.369   3.264
  163    H    THR  22           HN       THR  22  53.253   0.237  -0.915
  164    HA   THR  22           HA       THR  22  52.787  -1.645  -3.022
  165    HB   THR  22           HB       THR  22  53.248   0.498  -3.861
  166    HG1  THR  22           HG1      THR  22  54.569  -0.969  -4.930
  167   HG21  THR  22          HG21      THR  22  55.287   1.797  -3.041
  168   HG22  THR  22          HG22      THR  22  55.409   0.606  -1.747
  169   HG23  THR  22          HG23      THR  22  53.971   1.617  -1.883
  170    H    HIS  23           HN       HIS  23  53.521  -3.676  -2.624
  171    HA   HIS  23           HA       HIS  23  54.981  -5.408  -2.215
  172    HB2  HIS  23           HB2      HIS  23  56.948  -3.454  -3.433
  173    HB3  HIS  23           HB1      HIS  23  57.161  -5.200  -3.307
  174    HD1  HIS  23           HD1      HIS  23  54.954  -2.626  -5.003
  175    HD2  HIS  23           HD2      HIS  23  55.798  -6.699  -5.259
  176    HE1  HIS  23           HE1      HIS  23  53.847  -3.456  -7.124
  177    H    TYR  24           HN       TYR  24  57.556  -5.634  -1.454
  178    HA   TYR  24           HA       TYR  24  57.492  -5.080   1.306
  179    HB2  TYR  24           HB2      TYR  24  59.908  -5.678  -0.419
  180    HB3  TYR  24           HB1      TYR  24  59.807  -5.853   1.332
  181    HD1  TYR  24           HD1      TYR  24  57.822  -7.343   2.235
  182    HD2  TYR  24           HD2      TYR  24  59.393  -7.553  -1.781
  183    HE1  TYR  24           HE1      TYR  24  56.868  -9.631   1.980
  184    HE2  TYR  24           HE2      TYR  24  58.440  -9.840  -2.033
  185    HH   TYR  24           HH       TYR  24  57.957 -11.754   0.138
  186    H    LEU  25           HN       LEU  25  58.821  -3.312  -1.417
  187    HA   LEU  25           HA       LEU  25  60.367  -1.471   0.135
  188    HB2  LEU  25           HB2      LEU  25  59.262  -0.910  -2.620
  189    HB3  LEU  25           HB1      LEU  25  60.770  -0.340  -1.902
  190    HG   LEU  25           HG       LEU  25  60.119  -3.193  -2.701
  191   HD11  LEU  25          HD11      LEU  25  62.196  -1.245  -3.746
  192   HD12  LEU  25          HD12      LEU  25  60.670  -1.610  -4.551
  193   HD13  LEU  25          HD13      LEU  25  61.887  -2.872  -4.355
  194   HD21  LEU  25          HD21      LEU  25  62.601  -3.515  -2.104
  195   HD22  LEU  25          HD22      LEU  25  61.489  -3.346  -0.747
  196   HD23  LEU  25          HD23      LEU  25  62.485  -1.978  -1.246
  Start of MODEL   47
    1    H1   GLY   1           HT1      GLY   1  45.269  24.190   2.581
    2    H2   GLY   1           HT2      GLY   1  45.109  25.352   3.811
    3    H3   GLY   1           HT3      GLY   1  45.983  25.716   2.401
    4    HA2  GLY   1           HA1      GLY   1  44.154  26.656   1.703
    5    HA3  GLY   1           HA2      GLY   1  43.640  25.005   1.393
    6    H    TRP   2           HN       TRP   2  42.579  23.877   3.257
    7    HA   TRP   2           HA       TRP   2  41.437  25.417   5.377
    8    HB2  TRP   2           HB2      TRP   2  40.109  26.283   3.462
    9    HB3  TRP   2           HB1      TRP   2  39.574  24.637   3.123
   10    HD1  TRP   2           HD1      TRP   2  39.478  27.229   5.982
   11    HE1  TRP   2           HE1      TRP   2  37.353  26.814   7.382
   12    HE3  TRP   2           HE3      TRP   2  37.707  23.029   3.652
   13    HZ2  TRP   2           HZ2      TRP   2  35.174  24.944   7.504
   14    HZ3  TRP   2           HZ3      TRP   2  35.601  21.947   4.427
   15    HH2  TRP   2           HH2      TRP   2  34.335  22.900   6.349
   16    H    GLY   3           HN       GLY   3  40.504  22.690   3.262
   17    HA2  GLY   3           HA1      GLY   3  39.351  21.064   5.170
   18    HA3  GLY   3           HA2      GLY   3  40.162  20.471   3.727
   19    H    SER   4           HN       SER   4  42.774  21.318   4.288
   20    HA   SER   4           HA       SER   4  44.672  20.483   5.283
   21    HB2  SER   4           HB2      SER   4  43.029  20.641   7.816
   22    HB3  SER   4           HB1      SER   4  44.784  20.703   7.677
   23    HG   SER   4           HG       SER   4  44.637  22.743   7.194
   24    H    PHE   5           HN       PHE   5  44.419  18.427   4.216
   25    HA   PHE   5           HA       PHE   5  43.043  16.250   5.471
   26    HB2  PHE   5           HB2      PHE   5  45.140  16.322   3.290
   27    HB3  PHE   5           HB1      PHE   5  44.288  14.864   3.799
   28    HD1  PHE   5           HD1      PHE   5  43.988  18.113   2.077
   29    HD2  PHE   5           HD2      PHE   5  41.879  14.577   3.377
   30    HE1  PHE   5           HE1      PHE   5  42.067  18.717   0.608
   31    HE2  PHE   5           HE2      PHE   5  39.960  15.181   1.906
   32    HZ   PHE   5           HZ       PHE   5  40.045  17.264   0.541
   33    H    PHE   6           HN       PHE   6  46.405  15.890   4.558
   34    HA   PHE   6           HA       PHE   6  46.994  14.569   7.084
   35    HB2  PHE   6           HB2      PHE   6  47.826  13.719   4.878
   36    HB3  PHE   6           HB1      PHE   6  48.841  15.157   4.759
   37    HD1  PHE   6           HD1      PHE   6  48.201  12.046   6.689
   38    HD2  PHE   6           HD2      PHE   6  50.839  15.413   6.114
   39    HE1  PHE   6           HE1      PHE   6  49.919  10.943   8.116
   40    HE2  PHE   6           HE2      PHE   6  52.558  14.309   7.541
   41    HZ   PHE   6           HZ       PHE   6  52.084  12.091   8.572
   42    H    ARG   7           HN       ARG   7  47.668  17.593   5.468
   43    HA   ARG   7           HA       ARG   7  48.408  18.903   7.881
   44    HB2  ARG   7           HB2      ARG   7  50.501  17.611   7.475
   45    HB3  ARG   7           HB1      ARG   7  50.663  18.425   5.918
   46    HG2  ARG   7           HG2      ARG   7  50.828  20.589   6.998
   47    HG3  ARG   7           HG1      ARG   7  50.477  19.876   8.573
   48    HD2  ARG   7           HD2      ARG   7  52.906  19.280   6.856
   49    HD3  ARG   7           HD1      ARG   7  52.893  20.250   8.329
   50    HE   ARG   7           HE       ARG   7  51.825  17.825   9.133
   51   HH11  ARG   7          HH11      ARG   7  54.716  19.011   7.685
   52   HH12  ARG   7          HH12      ARG   7  55.680  17.659   8.183
   53   HH21  ARG   7          HH21      ARG   7  53.041  15.999   9.699
   54   HH22  ARG   7          HH22      ARG   7  54.731  15.954   9.323
   55    H    ARG   8           HN       ARG   8  48.039  18.756   4.453
   56    HA   ARG   8           HA       ARG   8  46.996  21.392   4.288
   57    HB2  ARG   8           HB2      ARG   8  49.358  22.042   4.467
   58    HB3  ARG   8           HB1      ARG   8  49.758  20.995   3.107
   59    HG2  ARG   8           HG2      ARG   8  48.440  22.323   1.592
   60    HG3  ARG   8           HG1      ARG   8  47.743  23.249   2.923
   61    HD2  ARG   8           HD2      ARG   8  50.672  23.229   2.135
   62    HD3  ARG   8           HD1      ARG   8  49.528  24.529   1.798
   63    HE   ARG   8           HE       ARG   8  50.835  24.035   4.344
   64   HH11  ARG   8          HH11      ARG   8  49.505  24.595   6.231
   65   HH12  ARG   8          HH12      ARG   8  48.394  25.905   6.018
   66   HH21  ARG   8          HH21      ARG   8  48.744  25.995   2.571
   67   HH22  ARG   8          HH22      ARG   8  47.962  26.697   3.947
   68    H    ALA   9           HN       ALA   9  49.054  19.905   1.832
   69    HA   ALA   9           HA       ALA   9  47.002  18.441   0.519
   70    HB1  ALA   9           HB1      ALA   9  46.053  20.579  -0.016
   71    HB2  ALA   9           HB2      ALA   9  46.810  19.944  -1.477
   72    HB3  ALA   9           HB3      ALA   9  47.618  21.200  -0.538
   73    H    ALA  10           HN       ALA  10  47.810  18.515  -2.079
   74    HA   ALA  10           HA       ALA  10  49.388  17.606  -3.480
   75    HB1  ALA  10           HB1      ALA  10  50.377  19.876  -3.004
   76    HB2  ALA  10           HB2      ALA  10  51.543  18.638  -3.470
   77    HB3  ALA  10           HB3      ALA  10  51.378  19.103  -1.777
   78    H    HIS  11           HN       HIS  11  48.947  16.585  -0.498
   79    HA   HIS  11           HA       HIS  11  49.656  14.798   0.761
   80    HB2  HIS  11           HB2      HIS  11  50.887  13.859  -1.839
   81    HB3  HIS  11           HB1      HIS  11  50.426  12.861  -0.461
   82    HD1  HIS  11           HD1      HIS  11  47.783  15.044  -0.365
   83    HD2  HIS  11           HD2      HIS  11  48.836  12.210  -3.232
   84    HE1  HIS  11           HE1      HIS  11  45.660  14.473  -1.621
   85    H    VAL  12           HN       VAL  12  51.095  16.120   1.991
   86    HA   VAL  12           HA       VAL  12  53.817  16.527   1.228
   87    HB   VAL  12           HB       VAL  12  52.728  16.572   4.057
   88   HG11  VAL  12          HG11      VAL  12  55.002  18.017   2.660
   89   HG12  VAL  12          HG12      VAL  12  55.165  16.730   3.854
   90   HG13  VAL  12          HG13      VAL  12  54.503  18.295   4.328
   91   HG21  VAL  12          HG21      VAL  12  51.272  17.924   2.599
   92   HG22  VAL  12          HG22      VAL  12  52.683  18.755   1.946
   93   HG23  VAL  12          HG23      VAL  12  52.241  18.967   3.640
   94    H    GLY  13           HN       GLY  13  54.169  14.216   0.588
   95    HA2  GLY  13           HA1      GLY  13  55.882  12.918   2.344
   96    HA3  GLY  13           HA2      GLY  13  54.307  12.163   2.538
   97    H    ARG  14           HN       ARG  14  53.268  11.992   0.097
   98    HA   ARG  14           HA       ARG  14  53.286  10.669  -1.782
   99    HB2  ARG  14           HB2      ARG  14  56.145  11.644  -1.991
  100    HB3  ARG  14           HB1      ARG  14  55.169  10.977  -3.300
  101    HG2  ARG  14           HG2      ARG  14  53.515  12.841  -2.906
  102    HG3  ARG  14           HG1      ARG  14  54.674  13.551  -1.782
  103    HD2  ARG  14           HD2      ARG  14  54.882  14.541  -4.044
  104    HD3  ARG  14           HD1      ARG  14  56.352  13.689  -3.574
  105    HE   ARG  14           HE       ARG  14  55.972  12.220  -5.371
  106   HH11  ARG  14          HH11      ARG  14  53.839  14.538  -5.990
  107   HH12  ARG  14          HH12      ARG  14  52.543  13.539  -6.560
  108   HH21  ARG  14          HH21      ARG  14  53.965  10.588  -5.423
  109   HH22  ARG  14          HH22      ARG  14  52.614  11.304  -6.239
  110    H    HIS  15           HN       HIS  15  54.537   8.825  -2.904
  111    HA   HIS  15           HA       HIS  15  55.236   6.642  -2.710
  112    HB2  HIS  15           HB2      HIS  15  57.232   8.020  -0.898
  113    HB3  HIS  15           HB1      HIS  15  57.389   6.360  -1.474
  114    HD1  HIS  15           HD1      HIS  15  58.562   9.586  -2.293
  115    HD2  HIS  15           HD2      HIS  15  57.089   6.416  -4.562
  116    HE1  HIS  15           HE1      HIS  15  59.325   9.993  -4.673
  117    H    VAL  16           HN       VAL  16  56.346   7.311   0.538
  118    HA   VAL  16           HA       VAL  16  54.994   5.108   1.661
  119    HB   VAL  16           HB       VAL  16  57.021   6.145   2.673
  120   HG11  VAL  16          HG11      VAL  16  56.209   8.516   2.252
  121   HG12  VAL  16          HG12      VAL  16  56.893   8.230   3.853
  122   HG13  VAL  16          HG13      VAL  16  55.144   8.318   3.643
  123   HG21  VAL  16          HG21      VAL  16  56.307   5.886   4.982
  124   HG22  VAL  16          HG22      VAL  16  55.429   4.718   3.997
  125   HG23  VAL  16          HG23      VAL  16  54.627   6.190   4.542
  126    H    GLY  17           HN       GLY  17  54.123   8.492   1.325
  127    HA2  GLY  17           HA1      GLY  17  51.915   8.448   3.117
  128    HA3  GLY  17           HA2      GLY  17  52.226   9.658   1.880
  129    H    ARG  18           HN       ARG  18  52.168   8.153  -0.418
  130    HA   ARG  18           HA       ARG  18  49.355   7.840  -0.812
  131    HB2  ARG  18           HB2      ARG  18  51.004   8.612  -2.560
  132    HB3  ARG  18           HB1      ARG  18  51.573   6.945  -2.663
  133    HG2  ARG  18           HG2      ARG  18  49.338   6.182  -3.292
  134    HG3  ARG  18           HG1      ARG  18  48.702   7.816  -3.101
  135    HD2  ARG  18           HD2      ARG  18  50.930   7.124  -5.031
  136    HD3  ARG  18           HD1      ARG  18  49.228   7.159  -5.490
  137    HE   ARG  18           HE       ARG  18  50.061   9.624  -4.196
  138   HH11  ARG  18          HH11      ARG  18  52.073   9.362  -6.359
  139   HH12  ARG  18          HH12      ARG  18  51.265  10.070  -7.718
  140   HH21  ARG  18          HH21      ARG  18  48.115   9.879  -6.283
  141   HH22  ARG  18          HH22      ARG  18  49.025  10.363  -7.675
  142    H    ALA  19           HN       ALA  19  51.925   5.715   0.089
  143    HA   ALA  19           HA       ALA  19  52.009   3.464   0.529
  144    HB1  ALA  19           HB1      ALA  19  50.028   2.475   1.469
  145    HB2  ALA  19           HB2      ALA  19  49.005   3.697   0.714
  146    HB3  ALA  19           HB3      ALA  19  50.115   4.151   2.008
  147    H    ALA  20           HN       ALA  20  52.650   2.291  -1.173
  148    HA   ALA  20           HA       ALA  20  50.733   0.902  -2.775
  149    HB1  ALA  20           HB1      ALA  20  51.368   1.822  -4.950
  150    HB2  ALA  20           HB2      ALA  20  52.416   2.997  -4.155
  151    HB3  ALA  20           HB3      ALA  20  50.669   3.073  -3.922
  152    H    LEU  21           HN       LEU  21  53.089   0.445  -1.056
  153    HA   LEU  21           HA       LEU  21  55.372  -0.275  -2.516
  154    HB2  LEU  21           HB2      LEU  21  54.187  -1.284   0.074
  155    HB3  LEU  21           HB1      LEU  21  55.681  -1.961  -0.571
  156    HG   LEU  21           HG       LEU  21  56.692   0.295  -0.597
  157   HD11  LEU  21          HD11      LEU  21  54.865   1.780  -0.892
  158   HD12  LEU  21          HD12      LEU  21  55.391   2.075   0.761
  159   HD13  LEU  21          HD13      LEU  21  53.965   1.081   0.454
  160   HD21  LEU  21          HD21      LEU  21  56.949   0.515   1.820
  161   HD22  LEU  21          HD22      LEU  21  56.868  -1.196   1.404
  162   HD23  LEU  21          HD23      LEU  21  55.458  -0.388   2.090
  163    H    THR  22           HN       THR  22  52.285  -1.850  -2.135
  164    HA   THR  22           HA       THR  22  53.098  -4.434  -3.054
  165    HB   THR  22           HB       THR  22  50.716  -4.915  -3.257
  166    HG1  THR  22           HG1      THR  22  49.607  -2.678  -2.469
  167   HG21  THR  22          HG21      THR  22  51.637  -4.898  -0.992
  168   HG22  THR  22          HG22      THR  22  49.985  -4.285  -0.967
  169   HG23  THR  22          HG23      THR  22  51.342  -3.164  -0.864
  170    H    HIS  23           HN       HIS  23  54.413  -3.487  -4.882
  171    HA   HIS  23           HA       HIS  23  53.068  -2.392  -7.156
  172    HB2  HIS  23           HB2      HIS  23  55.198  -2.723  -8.312
  173    HB3  HIS  23           HB1      HIS  23  55.471  -2.017  -6.720
  174    HD1  HIS  23           HD1      HIS  23  57.803  -3.512  -7.907
  175    HD2  HIS  23           HD2      HIS  23  54.860  -5.463  -5.694
  176    HE1  HIS  23           HE1      HIS  23  58.862  -5.636  -7.023
  177    H    TYR  24           HN       TYR  24  52.506  -5.233  -5.882
  178    HA   TYR  24           HA       TYR  24  51.777  -7.277  -6.633
  179    HB2  TYR  24           HB2      TYR  24  51.378  -5.912  -9.299
  180    HB3  TYR  24           HB1      TYR  24  50.473  -7.266  -8.622
  181    HD1  TYR  24           HD1      TYR  24  50.746  -3.651  -8.818
  182    HD2  TYR  24           HD2      TYR  24  49.083  -6.899  -6.511
  183    HE1  TYR  24           HE1      TYR  24  49.152  -2.069  -7.740
  184    HE2  TYR  24           HE2      TYR  24  47.488  -5.317  -5.433
  185    HH   TYR  24           HH       TYR  24  47.478  -1.842  -6.271
  186    H    LEU  25           HN       LEU  25  53.537  -8.597  -6.614
  187    HA   LEU  25           HA       LEU  25  55.731  -8.455  -8.369
  188    HB2  LEU  25           HB2      LEU  25  55.377  -9.781  -6.123
  189    HB3  LEU  25           HB1      LEU  25  54.818 -11.074  -7.178
  190    HG   LEU  25           HG       LEU  25  57.520  -9.692  -7.311
  191   HD11  LEU  25          HD11      LEU  25  56.733 -12.523  -6.551
  192   HD12  LEU  25          HD12      LEU  25  57.253 -11.269  -5.425
  193   HD13  LEU  25          HD13      LEU  25  58.380 -11.898  -6.627
  194   HD21  LEU  25          HD21      LEU  25  56.188 -11.761  -9.078
  195   HD22  LEU  25          HD22      LEU  25  57.945 -11.645  -8.971
  196   HD23  LEU  25          HD23      LEU  25  57.009 -10.274  -9.556
  Start of MODEL   48
    1    H1   GLY   1           HT1      GLY   1  40.155  16.021   4.696
    2    H2   GLY   1           HT2      GLY   1  39.862  16.400   6.326
    3    H3   GLY   1           HT3      GLY   1  41.201  17.067   5.522
    4    HA2  GLY   1           HA1      GLY   1  39.324  17.905   3.932
    5    HA3  GLY   1           HA2      GLY   1  38.412  17.792   5.432
    6    H    TRP   2           HN       TRP   2  41.497  18.259   6.380
    7    HA   TRP   2           HA       TRP   2  41.918  21.024   5.858
    8    HB2  TRP   2           HB2      TRP   2  41.456  21.817   8.205
    9    HB3  TRP   2           HB1      TRP   2  40.014  21.419   7.270
   10    HD1  TRP   2           HD1      TRP   2  42.306  19.926   9.978
   11    HE1  TRP   2           HE1      TRP   2  40.950  18.210  11.342
   12    HE3  TRP   2           HE3      TRP   2  37.939  19.946   7.306
   13    HZ2  TRP   2           HZ2      TRP   2  38.346  16.995  11.312
   14    HZ3  TRP   2           HZ3      TRP   2  36.032  18.500   7.993
   15    HH2  TRP   2           HH2      TRP   2  36.230  17.025   9.991
   16    H    GLY   3           HN       GLY   3  43.899  21.721   6.629
   17    HA2  GLY   3           HA1      GLY   3  45.967  21.610   7.632
   18    HA3  GLY   3           HA2      GLY   3  45.351  20.327   8.665
   19    H    SER   4           HN       SER   4  44.495  18.827   6.185
   20    HA   SER   4           HA       SER   4  46.884  18.202   4.731
   21    HB2  SER   4           HB2      SER   4  45.986  16.305   6.909
   22    HB3  SER   4           HB1      SER   4  47.091  15.864   5.610
   23    HG   SER   4           HG       SER   4  48.552  16.656   6.898
   24    H    PHE   5           HN       PHE   5  46.515  15.987   3.551
   25    HA   PHE   5           HA       PHE   5  45.283  14.905   1.942
   26    HB2  PHE   5           HB2      PHE   5  44.265  13.974   4.042
   27    HB3  PHE   5           HB1      PHE   5  43.009  15.206   3.917
   28    HD1  PHE   5           HD1      PHE   5  41.174  14.958   2.384
   29    HD2  PHE   5           HD2      PHE   5  44.578  12.316   2.145
   30    HE1  PHE   5           HE1      PHE   5  39.946  13.523   0.759
   31    HE2  PHE   5           HE2      PHE   5  43.350  10.881   0.520
   32    HZ   PHE   5           HZ       PHE   5  41.040  11.494  -0.185
   33    H    PHE   6           HN       PHE   6  45.274  16.445   0.322
   34    HA   PHE   6           HA       PHE   6  42.721  17.547  -0.366
   35    HB2  PHE   6           HB2      PHE   6  43.516  19.230   1.295
   36    HB3  PHE   6           HB1      PHE   6  44.926  19.518   0.276
   37    HD1  PHE   6           HD1      PHE   6  44.696  20.558  -1.958
   38    HD2  PHE   6           HD2      PHE   6  41.294  20.000   0.638
   39    HE1  PHE   6           HE1      PHE   6  43.369  22.136  -3.357
   40    HE2  PHE   6           HE2      PHE   6  39.967  21.577  -0.761
   41    HZ   PHE   6           HZ       PHE   6  40.983  22.588  -2.800
   42    H    ARG   7           HN       ARG   7  46.184  18.228  -0.920
   43    HA   ARG   7           HA       ARG   7  45.814  18.517  -3.760
   44    HB2  ARG   7           HB2      ARG   7  47.591  19.683  -2.384
   45    HB3  ARG   7           HB1      ARG   7  48.420  18.130  -2.274
   46    HG2  ARG   7           HG2      ARG   7  48.466  18.012  -4.762
   47    HG3  ARG   7           HG1      ARG   7  47.726  19.612  -4.829
   48    HD2  ARG   7           HD2      ARG   7  49.667  20.461  -3.443
   49    HD3  ARG   7           HD1      ARG   7  50.431  18.888  -3.674
   50    HE   ARG   7           HE       ARG   7  49.818  19.696  -6.250
   51   HH11  ARG   7          HH11      ARG   7  52.595  19.583  -4.840
   52   HH12  ARG   7          HH12      ARG   7  53.197  21.158  -5.240
   53   HH21  ARG   7          HH21      ARG   7  50.104  22.380  -6.223
   54   HH22  ARG   7          HH22      ARG   7  51.787  22.741  -6.022
   55    H    ARG   8           HN       ARG   8  46.635  15.929  -1.580
   56    HA   ARG   8           HA       ARG   8  47.075  13.698  -1.908
   57    HB2  ARG   8           HB2      ARG   8  45.685  14.175  -4.554
   58    HB3  ARG   8           HB1      ARG   8  45.905  12.621  -3.749
   59    HG2  ARG   8           HG2      ARG   8  44.557  13.399  -1.845
   60    HG3  ARG   8           HG1      ARG   8  44.351  14.969  -2.621
   61    HD2  ARG   8           HD2      ARG   8  43.270  13.815  -4.560
   62    HD3  ARG   8           HD1      ARG   8  43.370  12.297  -3.666
   63    HE   ARG   8           HE       ARG   8  42.060  13.994  -1.915
   64   HH11  ARG   8          HH11      ARG   8  39.919  12.838  -1.902
   65   HH12  ARG   8          HH12      ARG   8  38.957  13.086  -3.320
   66   HH21  ARG   8          HH21      ARG   8  41.569  14.406  -5.180
   67   HH22  ARG   8          HH22      ARG   8  39.891  13.975  -5.176
   68    H    ALA   9           HN       ALA   9  49.225  15.335  -2.460
   69    HA   ALA   9           HA       ALA   9  50.794  13.650  -4.152
   70    HB1  ALA   9           HB1      ALA   9  49.645  14.940  -5.894
   71    HB2  ALA   9           HB2      ALA   9  51.368  15.316  -5.853
   72    HB3  ALA   9           HB3      ALA   9  50.203  16.439  -5.152
   73    H    ALA  10           HN       ALA  10  50.361  16.445  -2.154
   74    HA   ALA  10           HA       ALA  10  53.104  17.248  -2.039
   75    HB1  ALA  10           HB1      ALA  10  51.367  18.823  -1.468
   76    HB2  ALA  10           HB2      ALA  10  52.360  18.532  -0.040
   77    HB3  ALA  10           HB3      ALA  10  50.778  17.767  -0.184
   78    H    HIS  11           HN       HIS  11  51.591  16.630   1.010
   79    HA   HIS  11           HA       HIS  11  53.852  15.104   1.922
   80    HB2  HIS  11           HB2      HIS  11  52.486  14.936   4.039
   81    HB3  HIS  11           HB1      HIS  11  52.799  16.583   3.489
   82    HD1  HIS  11           HD1      HIS  11  50.756  17.447   1.728
   83    HD2  HIS  11           HD2      HIS  11  49.822  14.654   4.675
   84    HE1  HIS  11           HE1      HIS  11  48.237  17.499   1.992
   85    H    VAL  12           HN       VAL  12  50.422  14.377   1.293
   86    HA   VAL  12           HA       VAL  12  50.365  11.726   2.120
   87    HB   VAL  12           HB       VAL  12  48.926  12.898  -0.282
   88   HG11  VAL  12          HG11      VAL  12  48.770  10.501  -0.340
   89   HG12  VAL  12          HG12      VAL  12  47.252  11.086   0.339
   90   HG13  VAL  12          HG13      VAL  12  48.491  10.415   1.400
   91   HG21  VAL  12          HG21      VAL  12  48.162  12.715   2.651
   92   HG22  VAL  12          HG22      VAL  12  47.073  13.225   1.361
   93   HG23  VAL  12          HG23      VAL  12  48.494  14.194   1.751
   94    H    GLY  13           HN       GLY  13  51.548  13.113  -0.899
   95    HA2  GLY  13           HA1      GLY  13  51.862  10.761  -2.378
   96    HA3  GLY  13           HA2      GLY  13  52.811  12.226  -2.592
   97    H    ARG  14           HN       ARG  14  54.368  12.506  -0.528
   98    HA   ARG  14           HA       ARG  14  56.186  10.255  -0.693
   99    HB2  ARG  14           HB2      ARG  14  56.408  12.809   0.917
  100    HB3  ARG  14           HB1      ARG  14  57.711  11.674   0.563
  101    HG2  ARG  14           HG2      ARG  14  57.482  12.118  -1.837
  102    HG3  ARG  14           HG1      ARG  14  56.131  13.207  -1.522
  103    HD2  ARG  14           HD2      ARG  14  58.927  13.596  -0.417
  104    HD3  ARG  14           HD1      ARG  14  58.301  14.411  -1.852
  105    HE   ARG  14           HE       ARG  14  56.557  14.800   0.425
  106   HH11  ARG  14          HH11      ARG  14  56.480  17.159  -0.822
  107   HH12  ARG  14          HH12      ARG  14  57.792  18.135  -0.252
  108   HH21  ARG  14          HH21      ARG  14  59.563  15.460   1.063
  109   HH22  ARG  14          HH22      ARG  14  59.535  17.174   0.817
  110    H    HIS  15           HN       HIS  15  54.095   9.131   0.431
  111    HA   HIS  15           HA       HIS  15  54.047   9.348   3.310
  112    HB2  HIS  15           HB2      HIS  15  52.047   8.696   2.003
  113    HB3  HIS  15           HB1      HIS  15  52.873   7.219   1.504
  114    HD1  HIS  15           HD1      HIS  15  53.322   8.529   4.984
  115    HD2  HIS  15           HD2      HIS  15  51.169   5.536   3.042
  116    HE1  HIS  15           HE1      HIS  15  52.341   7.060   6.798
  117    H    VAL  16           HN       VAL  16  56.176   8.928   3.979
  118    HA   VAL  16           HA       VAL  16  57.988   7.651   4.590
  119    HB   VAL  16           HB       VAL  16  56.063   5.313   4.443
  120   HG11  VAL  16          HG11      VAL  16  57.464   4.440   6.263
  121   HG12  VAL  16          HG12      VAL  16  58.447   5.903   6.228
  122   HG13  VAL  16          HG13      VAL  16  58.460   4.799   4.853
  123   HG21  VAL  16          HG21      VAL  16  56.479   7.310   6.693
  124   HG22  VAL  16          HG22      VAL  16  55.451   5.879   6.762
  125   HG23  VAL  16          HG23      VAL  16  55.041   7.207   5.676
  126    H    GLY  17           HN       GLY  17  58.667   8.157   2.273
  127    HA2  GLY  17           HA1      GLY  17  59.886   7.431   0.468
  128    HA3  GLY  17           HA2      GLY  17  59.784   5.805   1.129
  129    H    ARG  18           HN       ARG  18  57.254   8.054   0.035
  130    HA   ARG  18           HA       ARG  18  55.482   7.732  -1.398
  131    HB2  ARG  18           HB2      ARG  18  57.686   6.326  -2.924
  132    HB3  ARG  18           HB1      ARG  18  56.113   6.743  -3.604
  133    HG2  ARG  18           HG2      ARG  18  56.516   9.117  -3.153
  134    HG3  ARG  18           HG1      ARG  18  58.061   8.730  -2.397
  135    HD2  ARG  18           HD2      ARG  18  58.550   9.417  -4.646
  136    HD3  ARG  18           HD1      ARG  18  58.749   7.664  -4.598
  137    HE   ARG  18           HE       ARG  18  56.108   8.018  -5.373
  138   HH11  ARG  18          HH11      ARG  18  58.600   7.094  -7.034
  139   HH12  ARG  18          HH12      ARG  18  58.403   8.097  -8.432
  140   HH21  ARG  18          HH21      ARG  18  56.092  10.199  -6.927
  141   HH22  ARG  18          HH22      ARG  18  56.983   9.854  -8.373
  142    H    ALA  19           HN       ALA  19  55.605   5.875   0.729
  143    HA   ALA  19           HA       ALA  19  54.768   3.846   1.413
  144    HB1  ALA  19           HB1      ALA  19  52.798   3.082   0.245
  145    HB2  ALA  19           HB2      ALA  19  53.242   4.009  -1.189
  146    HB3  ALA  19           HB3      ALA  19  52.779   4.845   0.294
  147    H    ALA  20           HN       ALA  20  54.192   1.504   0.421
  148    HA   ALA  20           HA       ALA  20  55.822   0.635  -1.761
  149    HB1  ALA  20           HB1      ALA  20  57.512  -0.569  -0.576
  150    HB2  ALA  20           HB2      ALA  20  56.769  -0.195   0.980
  151    HB3  ALA  20           HB3      ALA  20  57.529   1.086   0.036
  152    H    LEU  21           HN       LEU  21  53.526   0.202   0.678
  153    HA   LEU  21           HA       LEU  21  53.283  -2.653   0.591
  154    HB2  LEU  21           HB2      LEU  21  51.492  -0.422   1.560
  155    HB3  LEU  21           HB1      LEU  21  50.963  -2.102   1.584
  156    HG   LEU  21           HG       LEU  21  52.859  -2.717   3.000
  157   HD11  LEU  21          HD11      LEU  21  54.623  -1.280   2.335
  158   HD12  LEU  21          HD12      LEU  21  54.227  -0.732   3.960
  159   HD13  LEU  21          HD13      LEU  21  53.647   0.172   2.562
  160   HD21  LEU  21          HD21      LEU  21  50.760  -1.846   4.034
  161   HD22  LEU  21          HD22      LEU  21  51.469  -0.232   4.054
  162   HD23  LEU  21          HD23      LEU  21  52.182  -1.521   5.024
  163    H    THR  22           HN       THR  22  50.595  -0.536  -0.219
  164    HA   THR  22           HA       THR  22  50.489  -1.201  -2.994
  165    HB   THR  22           HB       THR  22  49.764  -3.386  -2.348
  166    HG1  THR  22           HG1      THR  22  48.191  -3.159  -3.691
  167   HG21  THR  22          HG21      THR  22  47.889  -3.679  -0.707
  168   HG22  THR  22          HG22      THR  22  47.982  -1.952  -0.362
  169   HG23  THR  22          HG23      THR  22  49.350  -3.000   0.009
  170    H    HIS  23           HN       HIS  23  49.877   0.743  -0.527
  171    HA   HIS  23           HA       HIS  23  47.275   1.673  -0.686
  172    HB2  HIS  23           HB2      HIS  23  48.960   2.483   0.941
  173    HB3  HIS  23           HB1      HIS  23  49.771   3.355  -0.358
  174    HD1  HIS  23           HD1      HIS  23  46.097   3.287  -0.613
  175    HD2  HIS  23           HD2      HIS  23  48.986   5.813   1.010
  176    HE1  HIS  23           HE1      HIS  23  44.929   5.475  -0.104
  177    H    TYR  24           HN       TYR  24  46.377   1.721  -2.714
  178    HA   TYR  24           HA       TYR  24  47.555   2.692  -5.057
  179    HB2  TYR  24           HB2      TYR  24  44.617   2.814  -4.343
  180    HB3  TYR  24           HB1      TYR  24  45.314   2.785  -5.964
  181    HD1  TYR  24           HD1      TYR  24  44.707   0.808  -2.885
  182    HD2  TYR  24           HD2      TYR  24  46.178   0.729  -6.942
  183    HE1  TYR  24           HE1      TYR  24  44.721  -1.683  -2.832
  184    HE2  TYR  24           HE2      TYR  24  46.191  -1.762  -6.889
  185    HH   TYR  24           HH       TYR  24  46.221  -3.484  -4.138
  186    H    LEU  25           HN       LEU  25  47.847   4.673  -5.912
  187    HA   LEU  25           HA       LEU  25  47.881   6.960  -4.318
  188    HB2  LEU  25           HB2      LEU  25  49.225   6.860  -6.311
  189    HB3  LEU  25           HB1      LEU  25  47.805   6.636  -7.326
  190    HG   LEU  25           HG       LEU  25  47.051   8.892  -6.904
  191   HD11  LEU  25          HD11      LEU  25  48.579  10.401  -5.463
  192   HD12  LEU  25          HD12      LEU  25  49.246   8.899  -4.821
  193   HD13  LEU  25          HD13      LEU  25  47.534   9.268  -4.608
  194   HD21  LEU  25          HD21      LEU  25  48.867   8.552  -8.590
  195   HD22  LEU  25          HD22      LEU  25  50.052   8.944  -7.345
  196   HD23  LEU  25          HD23      LEU  25  48.892  10.163  -7.873
  Start of MODEL   49
    1    H1   GLY   1           HT1      GLY   1  56.966  17.566   8.473
    2    H2   GLY   1           HT2      GLY   1  56.967  15.880   8.686
    3    H3   GLY   1           HT3      GLY   1  56.991  16.911  10.037
    4    HA2  GLY   1           HA1      GLY   1  54.826  17.807   9.126
    5    HA3  GLY   1           HA2      GLY   1  54.811  16.316   8.193
    6    H    TRP   2           HN       TRP   2  54.457  14.367   9.213
    7    HA   TRP   2           HA       TRP   2  53.679  12.919  10.808
    8    HB2  TRP   2           HB2      TRP   2  54.618  14.848  12.936
    9    HB3  TRP   2           HB1      TRP   2  54.491  13.093  13.022
   10    HD1  TRP   2           HD1      TRP   2  55.925  12.346  10.316
   11    HE1  TRP   2           HE1      TRP   2  58.472  12.665  10.083
   12    HE3  TRP   2           HE3      TRP   2  56.715  15.793  14.019
   13    HZ2  TRP   2           HZ2      TRP   2  60.583  14.184  11.305
   14    HZ3  TRP   2           HZ3      TRP   2  59.003  16.662  14.468
   15    HH2  TRP   2           HH2      TRP   2  60.937  15.862  13.115
   16    H    GLY   3           HN       GLY   3  51.520  12.990  10.531
   17    HA2  GLY   3           HA1      GLY   3  49.337  13.360  11.159
   18    HA3  GLY   3           HA2      GLY   3  49.931  14.352  12.486
   19    H    SER   4           HN       SER   4  51.368  15.421   9.699
   20    HA   SER   4           HA       SER   4  49.990  17.894   9.690
   21    HB2  SER   4           HB2      SER   4  51.233  18.270   7.535
   22    HB3  SER   4           HB1      SER   4  52.255  17.803   8.891
   23    HG   SER   4           HG       SER   4  52.871  16.250   7.619
   24    H    PHE   5           HN       PHE   5  49.172  18.741   7.424
   25    HA   PHE   5           HA       PHE   5  46.727  17.373   6.902
   26    HB2  PHE   5           HB2      PHE   5  48.091  19.647   5.441
   27    HB3  PHE   5           HB1      PHE   5  46.448  19.094   5.117
   28    HD1  PHE   5           HD1      PHE   5  44.627  19.519   6.685
   29    HD2  PHE   5           HD2      PHE   5  48.670  20.727   7.592
   30    HE1  PHE   5           HE1      PHE   5  43.787  20.918   8.568
   31    HE2  PHE   5           HE2      PHE   5  47.830  22.126   9.475
   32    HZ   PHE   5           HZ       PHE   5  45.383  22.274   9.919
   33    H    PHE   6           HN       PHE   6  46.363  17.534   4.184
   34    HA   PHE   6           HA       PHE   6  48.446  16.019   2.817
   35    HB2  PHE   6           HB2      PHE   6  45.702  14.824   3.291
   36    HB3  PHE   6           HB1      PHE   6  46.970  14.132   2.281
   37    HD1  PHE   6           HD1      PHE   6  45.896  14.849   5.741
   38    HD2  PHE   6           HD2      PHE   6  48.991  13.145   3.262
   39    HE1  PHE   6           HE1      PHE   6  46.897  13.755   7.744
   40    HE2  PHE   6           HE2      PHE   6  49.995  12.054   5.265
   41    HZ   PHE   6           HZ       PHE   6  48.980  12.405   7.513
   42    H    ARG   7           HN       ARG   7  44.972  16.842   2.625
   43    HA   ARG   7           HA       ARG   7  45.114  17.279  -0.228
   44    HB2  ARG   7           HB2      ARG   7  42.750  18.069   0.075
   45    HB3  ARG   7           HB1      ARG   7  43.046  16.438   0.676
   46    HG2  ARG   7           HG2      ARG   7  43.223  17.259   2.961
   47    HG3  ARG   7           HG1      ARG   7  43.083  18.927   2.406
   48    HD2  ARG   7           HD2      ARG   7  40.821  18.547   1.632
   49    HD3  ARG   7           HD1      ARG   7  40.952  16.820   1.962
   50    HE   ARG   7           HE       ARG   7  41.460  18.134   4.401
   51   HH11  ARG   7          HH11      ARG   7  38.977  18.219   2.024
   52   HH12  ARG   7          HH12      ARG   7  37.686  18.262   3.178
   53   HH21  ARG   7          HH21      ARG   7  39.780  18.021   5.931
   54   HH22  ARG   7          HH22      ARG   7  38.140  18.151   5.389
   55    H    ARG   8           HN       ARG   8  46.926  18.890   1.345
   56    HA   ARG   8           HA       ARG   8  46.000  21.522   1.741
   57    HB2  ARG   8           HB2      ARG   8  48.139  20.694   2.640
   58    HB3  ARG   8           HB1      ARG   8  48.784  20.583   1.002
   59    HG2  ARG   8           HG2      ARG   8  48.629  22.963   0.691
   60    HG3  ARG   8           HG1      ARG   8  47.712  23.156   2.185
   61    HD2  ARG   8           HD2      ARG   8  49.684  22.305   3.460
   62    HD3  ARG   8           HD1      ARG   8  50.597  22.249   1.951
   63    HE   ARG   8           HE       ARG   8  50.205  24.592   3.515
   64   HH11  ARG   8          HH11      ARG   8  52.253  24.544   1.422
   65   HH12  ARG   8          HH12      ARG   8  51.611  25.599   0.208
   66   HH21  ARG   8          HH21      ARG   8  48.375  25.491   1.450
   67   HH22  ARG   8          HH22      ARG   8  49.416  26.137   0.224
   68    H    ALA   9           HN       ALA   9  48.382  20.780  -0.772
   69    HA   ALA   9           HA       ALA   9  47.471  22.904  -2.444
   70    HB1  ALA   9           HB1      ALA   9  49.086  21.991  -4.073
   71    HB2  ALA   9           HB2      ALA   9  49.310  20.580  -3.038
   72    HB3  ALA   9           HB3      ALA   9  49.796  22.177  -2.470
   73    H    ALA  10           HN       ALA  10  47.732  19.475  -3.362
   74    HA   ALA  10           HA       ALA  10  44.996  19.163  -4.053
   75    HB1  ALA  10           HB1      ALA  10  46.902  19.786  -6.312
   76    HB2  ALA  10           HB2      ALA  10  45.483  20.718  -5.838
   77    HB3  ALA  10           HB3      ALA  10  45.290  19.105  -6.525
   78    H    HIS  11           HN       HIS  11  45.573  17.268  -2.820
   79    HA   HIS  11           HA       HIS  11  46.186  15.064  -2.578
   80    HB2  HIS  11           HB2      HIS  11  45.965  15.139  -5.597
   81    HB3  HIS  11           HB1      HIS  11  46.002  13.679  -4.609
   82    HD1  HIS  11           HD1      HIS  11  44.186  16.373  -2.955
   83    HD2  HIS  11           HD2      HIS  11  43.234  13.429  -5.746
   84    HE1  HIS  11           HE1      HIS  11  41.661  16.168  -2.947
   85    H    VAL  12           HN       VAL  12  48.282  15.543  -1.773
   86    HA   VAL  12           HA       VAL  12  50.569  16.120  -3.222
   87    HB   VAL  12           HB       VAL  12  50.481  16.062  -0.738
   88   HG11  VAL  12          HG11      VAL  12  49.201  13.872  -0.670
   89   HG12  VAL  12          HG12      VAL  12  50.546  13.984   0.463
   90   HG13  VAL  12          HG13      VAL  12  50.723  13.056  -1.025
   91   HG21  VAL  12          HG21      VAL  12  52.736  15.227  -0.421
   92   HG22  VAL  12          HG22      VAL  12  52.646  15.965  -2.019
   93   HG23  VAL  12          HG23      VAL  12  52.611  14.210  -1.856
   94    H    GLY  13           HN       GLY  13  49.017  12.995  -2.666
   95    HA2  GLY  13           HA1      GLY  13  49.748  11.768  -4.997
   96    HA3  GLY  13           HA2      GLY  13  51.102  11.466  -3.915
   97    H    ARG  14           HN       ARG  14  47.666  10.939  -4.434
   98    HA   ARG  14           HA       ARG  14  47.794   8.344  -3.226
   99    HB2  ARG  14           HB2      ARG  14  46.078   8.833  -1.455
  100    HB3  ARG  14           HB1      ARG  14  47.660   9.549  -1.146
  101    HG2  ARG  14           HG2      ARG  14  46.896  11.708  -1.981
  102    HG3  ARG  14           HG1      ARG  14  45.339  11.013  -2.436
  103    HD2  ARG  14           HD2      ARG  14  44.979  10.405  -0.024
  104    HD3  ARG  14           HD1      ARG  14  46.454  11.287   0.369
  105    HE   ARG  14           HE       ARG  14  44.752  13.017  -1.123
  106   HH11  ARG  14          HH11      ARG  14  45.679  12.025   1.982
  107   HH12  ARG  14          HH12      ARG  14  44.448  12.920   2.810
  108   HH21  ARG  14          HH21      ARG  14  42.837  13.907  -0.097
  109   HH22  ARG  14          HH22      ARG  14  42.839  13.984   1.633
  110    H    HIS  15           HN       HIS  15  45.602   7.298  -3.201
  111    HA   HIS  15           HA       HIS  15  43.766   6.622  -4.408
  112    HB2  HIS  15           HB2      HIS  15  43.335   9.619  -4.412
  113    HB3  HIS  15           HB1      HIS  15  42.131   8.447  -4.950
  114    HD1  HIS  15           HD1      HIS  15  44.175   9.279  -1.845
  115    HD2  HIS  15           HD2      HIS  15  40.675   7.271  -2.886
  116    HE1  HIS  15           HE1      HIS  15  43.023   8.672   0.328
  117    H    VAL  16           HN       VAL  16  44.015   9.665  -6.156
  118    HA   VAL  16           HA       VAL  16  44.023   8.312  -8.688
  119    HB   VAL  16           HB       VAL  16  44.601  11.244  -8.181
  120   HG11  VAL  16          HG11      VAL  16  45.093  10.451 -10.451
  121   HG12  VAL  16          HG12      VAL  16  43.655  11.472 -10.468
  122   HG13  VAL  16          HG13      VAL  16  43.492   9.718 -10.558
  123   HG21  VAL  16          HG21      VAL  16  42.498  10.615  -7.075
  124   HG22  VAL  16          HG22      VAL  16  41.948   9.812  -8.546
  125   HG23  VAL  16          HG23      VAL  16  42.157  11.563  -8.524
  126    H    GLY  17           HN       GLY  17  46.436   9.831  -6.641
  127    HA2  GLY  17           HA1      GLY  17  48.536  10.155  -8.420
  128    HA3  GLY  17           HA2      GLY  17  48.727   9.787  -6.711
  129    H    ARG  18           HN       ARG  18  48.143   7.357  -6.237
  130    HA   ARG  18           HA       ARG  18  48.746   5.459  -8.295
  131    HB2  ARG  18           HB2      ARG  18  51.006   6.400  -7.941
  132    HB3  ARG  18           HB1      ARG  18  50.898   5.982  -6.231
  133    HG2  ARG  18           HG2      ARG  18  50.769   3.629  -6.736
  134    HG3  ARG  18           HG1      ARG  18  50.601   3.955  -8.461
  135    HD2  ARG  18           HD2      ARG  18  53.033   4.598  -6.766
  136    HD3  ARG  18           HD1      ARG  18  52.908   3.283  -7.936
  137    HE   ARG  18           HE       ARG  18  52.298   5.793  -9.205
  138   HH11  ARG  18          HH11      ARG  18  54.471   7.175  -8.619
  139   HH12  ARG  18          HH12      ARG  18  55.851   6.413  -9.339
  140   HH21  ARG  18          HH21      ARG  18  54.246   3.378  -9.834
  141   HH22  ARG  18          HH22      ARG  18  55.722   4.263 -10.027
  142    H    ALA  19           HN       ALA  19  48.615   6.213  -4.848
  143    HA   ALA  19           HA       ALA  19  47.866   5.009  -3.040
  144    HB1  ALA  19           HB1      ALA  19  45.862   3.666  -3.424
  145    HB2  ALA  19           HB2      ALA  19  46.167   3.688  -5.161
  146    HB3  ALA  19           HB3      ALA  19  45.769   5.185  -4.316
  147    H    ALA  20           HN       ALA  20  49.665   3.866  -2.418
  148    HA   ALA  20           HA       ALA  20  49.573   1.013  -2.772
  149    HB1  ALA  20           HB1      ALA  20  51.769   0.768  -3.815
  150    HB2  ALA  20           HB2      ALA  20  51.916   2.520  -3.944
  151    HB3  ALA  20           HB3      ALA  20  50.680   1.668  -4.871
  152    H    LEU  21           HN       LEU  21  49.990   0.318  -0.789
  153    HA   LEU  21           HA       LEU  21  51.335   1.910   1.167
  154    HB2  LEU  21           HB2      LEU  21  50.804  -1.054   1.398
  155    HB3  LEU  21           HB1      LEU  21  50.871   0.150   2.685
  156    HG   LEU  21           HG       LEU  21  48.756  -0.048   0.519
  157   HD11  LEU  21          HD11      LEU  21  48.543  -1.740   2.289
  158   HD12  LEU  21          HD12      LEU  21  47.263  -0.534   2.436
  159   HD13  LEU  21          HD13      LEU  21  48.653  -0.481   3.521
  160   HD21  LEU  21          HD21      LEU  21  47.666   1.771   1.985
  161   HD22  LEU  21          HD22      LEU  21  49.021   2.280   0.982
  162   HD23  LEU  21          HD23      LEU  21  49.260   1.992   2.705
  163    H    THR  22           HN       THR  22  53.321   2.233  -0.161
  164    HA   THR  22           HA       THR  22  55.134   0.255  -0.865
  165    HB   THR  22           HB       THR  22  56.903   1.978  -0.600
  166    HG1  THR  22           HG1      THR  22  55.024   3.861   0.169
  167   HG21  THR  22          HG21      THR  22  55.891   3.653  -2.131
  168   HG22  THR  22          HG22      THR  22  54.300   2.972  -1.793
  169   HG23  THR  22          HG23      THR  22  55.519   2.000  -2.617
  170    H    HIS  23           HN       HIS  23  55.345  -1.424   0.572
  171    HA   HIS  23           HA       HIS  23  55.517  -1.370   3.319
  172    HB2  HIS  23           HB2      HIS  23  56.790  -3.484   3.140
  173    HB3  HIS  23           HB1      HIS  23  55.401  -3.453   2.052
  174    HD1  HIS  23           HD1      HIS  23  59.080  -3.726   2.095
  175    HD2  HIS  23           HD2      HIS  23  56.110  -2.999  -0.738
  176    HE1  HIS  23           HE1      HIS  23  60.174  -3.986  -0.174
  177    H    TYR  24           HN       TYR  24  56.663   0.374   4.131
  178    HA   TYR  24           HA       TYR  24  59.283   1.106   3.368
  179    HB2  TYR  24           HB2      TYR  24  59.283   2.222   5.683
  180    HB3  TYR  24           HB1      TYR  24  58.015   2.717   4.563
  181    HD1  TYR  24           HD1      TYR  24  55.688   1.919   4.830
  182    HD2  TYR  24           HD2      TYR  24  58.774   0.899   7.670
  183    HE1  TYR  24           HE1      TYR  24  53.949   1.187   6.457
  184    HE2  TYR  24           HE2      TYR  24  57.036   0.167   9.297
  185    HH   TYR  24           HH       TYR  24  54.643  -0.746   9.088
  186    H    LEU  25           HN       LEU  25  61.281   0.547   4.161
  187    HA   LEU  25           HA       LEU  25  61.693  -2.061   5.086
  188    HB2  LEU  25           HB2      LEU  25  63.325  -0.295   3.992
  189    HB3  LEU  25           HB1      LEU  25  63.703   0.115   5.661
  190    HG   LEU  25           HG       LEU  25  63.964  -2.616   4.360
  191   HD11  LEU  25          HD11      LEU  25  65.722  -0.892   3.851
  192   HD12  LEU  25          HD12      LEU  25  66.343  -2.301   4.712
  193   HD13  LEU  25          HD13      LEU  25  66.057  -0.793   5.580
  194   HD21  LEU  25          HD21      LEU  25  63.295  -3.056   6.605
  195   HD22  LEU  25          HD22      LEU  25  64.248  -1.713   7.239
  196   HD23  LEU  25          HD23      LEU  25  65.054  -3.162   6.636
  Start of MODEL   50
    1    H1   GLY   1           HT1      GLY   1  52.078  16.937   6.473
    2    H2   GLY   1           HT2      GLY   1  50.415  16.595   6.423
    3    H3   GLY   1           HT3      GLY   1  51.526  15.553   5.668
    4    HA2  GLY   1           HA1      GLY   1  50.798  14.585   7.676
    5    HA3  GLY   1           HA2      GLY   1  52.494  15.037   7.792
    6    H    TRP   2           HN       TRP   2  51.307  17.938   7.850
    7    HA   TRP   2           HA       TRP   2  49.953  18.158  10.346
    8    HB2  TRP   2           HB2      TRP   2  52.256  17.460  11.103
    9    HB3  TRP   2           HB1      TRP   2  52.873  18.953  10.399
   10    HD1  TRP   2           HD1      TRP   2  50.513  17.700  13.153
   11    HE1  TRP   2           HE1      TRP   2  50.234  19.564  14.911
   12    HE3  TRP   2           HE3      TRP   2  53.071  21.477  10.831
   13    HZ2  TRP   2           HZ2      TRP   2  50.994  22.311  15.293
   14    HZ3  TRP   2           HZ3      TRP   2  53.282  23.710  11.911
   15    HH2  TRP   2           HH2      TRP   2  52.247  24.130  14.139
   16    H    GLY   3           HN       GLY   3  52.334  19.808   8.266
   17    HA2  GLY   3           HA1      GLY   3  51.236  22.407   8.723
   18    HA3  GLY   3           HA2      GLY   3  52.419  21.974   7.496
   19    H    SER   4           HN       SER   4  50.836  19.945   6.234
   20    HA   SER   4           HA       SER   4  49.425  19.805   4.423
   21    HB2  SER   4           HB2      SER   4  47.130  20.430   4.859
   22    HB3  SER   4           HB1      SER   4  47.818  19.763   6.337
   23    HG   SER   4           HG       SER   4  46.692  21.716   6.721
   24    H    PHE   5           HN       PHE   5  47.604  21.471   3.279
   25    HA   PHE   5           HA       PHE   5  48.700  24.135   2.920
   26    HB2  PHE   5           HB2      PHE   5  48.790  22.136   0.643
   27    HB3  PHE   5           HB1      PHE   5  49.159  23.856   0.521
   28    HD1  PHE   5           HD1      PHE   5  50.345  20.574   1.682
   29    HD2  PHE   5           HD2      PHE   5  51.166  24.811   1.621
   30    HE1  PHE   5           HE1      PHE   5  52.691  20.130   2.395
   31    HE2  PHE   5           HE2      PHE   5  53.512  24.368   2.333
   32    HZ   PHE   5           HZ       PHE   5  54.295  22.021   2.643
   33    H    PHE   6           HN       PHE   6  47.534  24.687   0.447
   34    HA   PHE   6           HA       PHE   6  44.783  24.974   1.214
   35    HB2  PHE   6           HB2      PHE   6  45.939  25.533  -1.521
   36    HB3  PHE   6           HB1      PHE   6  44.547  26.293  -0.747
   37    HD1  PHE   6           HD1      PHE   6  44.902  27.720   1.330
   38    HD2  PHE   6           HD2      PHE   6  48.162  26.360  -1.151
   39    HE1  PHE   6           HE1      PHE   6  46.386  29.453   2.331
   40    HE2  PHE   6           HE2      PHE   6  49.645  28.094  -0.151
   41    HZ   PHE   6           HZ       PHE   6  48.767  29.618   1.613
   42    H    ARG   7           HN       ARG   7  46.589  22.703  -0.673
   43    HA   ARG   7           HA       ARG   7  44.532  21.704  -2.335
   44    HB2  ARG   7           HB2      ARG   7  46.874  20.175  -1.174
   45    HB3  ARG   7           HB1      ARG   7  45.943  19.737  -2.603
   46    HG2  ARG   7           HG2      ARG   7  47.442  22.364  -2.377
   47    HG3  ARG   7           HG1      ARG   7  48.183  20.908  -3.030
   48    HD2  ARG   7           HD2      ARG   7  46.191  20.808  -4.654
   49    HD3  ARG   7           HD1      ARG   7  45.831  22.454  -4.137
   50    HE   ARG   7           HE       ARG   7  48.532  22.494  -4.833
   51   HH11  ARG   7          HH11      ARG   7  46.613  20.512  -6.613
   52   HH12  ARG   7          HH12      ARG   7  46.640  21.444  -8.073
   53   HH21  ARG   7          HH21      ARG   7  48.113  24.211  -6.590
   54   HH22  ARG   7          HH22      ARG   7  47.489  23.538  -8.059
   55    H    ARG   8           HN       ARG   8  45.789  20.424   0.753
   56    HA   ARG   8           HA       ARG   8  44.831  19.053   2.328
   57    HB2  ARG   8           HB2      ARG   8  42.266  20.347   1.372
   58    HB3  ARG   8           HB1      ARG   8  42.526  19.549   2.924
   59    HG2  ARG   8           HG2      ARG   8  44.351  21.224   3.391
   60    HG3  ARG   8           HG1      ARG   8  43.857  22.081   1.931
   61    HD2  ARG   8           HD2      ARG   8  41.576  22.332   2.855
   62    HD3  ARG   8           HD1      ARG   8  42.085  21.496   4.322
   63    HE   ARG   8           HE       ARG   8  43.760  23.799   3.728
   64   HH11  ARG   8          HH11      ARG   8  43.647  23.742   6.408
   65   HH12  ARG   8          HH12      ARG   8  42.243  24.616   6.918
   66   HH21  ARG   8          HH21      ARG   8  40.706  24.486   3.813
   67   HH22  ARG   8          HH22      ARG   8  40.577  25.037   5.451
   68    H    ALA   9           HN       ALA   9  45.262  17.902  -0.240
   69    HA   ALA   9           HA       ALA   9  43.622  15.571  -0.002
   70    HB1  ALA   9           HB1      ALA   9  42.025  17.039  -1.155
   71    HB2  ALA   9           HB2      ALA   9  42.529  15.698  -2.185
   72    HB3  ALA   9           HB3      ALA   9  43.204  17.309  -2.439
   73    H    ALA  10           HN       ALA  10  45.928  17.490  -1.819
   74    HA   ALA  10           HA       ALA  10  46.887  15.508  -3.568
   75    HB1  ALA  10           HB1      ALA  10  47.495  17.806  -3.907
   76    HB2  ALA  10           HB2      ALA  10  48.974  16.896  -3.596
   77    HB3  ALA  10           HB3      ALA  10  48.263  17.889  -2.323
   78    H    HIS  11           HN       HIS  11  49.139  16.705  -1.171
   79    HA   HIS  11           HA       HIS  11  50.275  14.108  -0.789
   80    HB2  HIS  11           HB2      HIS  11  51.627  16.163  -0.654
   81    HB3  HIS  11           HB1      HIS  11  50.715  16.666   0.770
   82    HD1  HIS  11           HD1      HIS  11  52.685  16.500   2.414
   83    HD2  HIS  11           HD2      HIS  11  52.041  12.964   0.307
   84    HE1  HIS  11           HE1      HIS  11  54.067  14.717   3.565
   85    H    VAL  12           HN       VAL  12  48.156  16.202   1.117
   86    HA   VAL  12           HA       VAL  12  48.110  14.477   3.412
   87    HB   VAL  12           HB       VAL  12  46.069  16.590   2.660
   88   HG11  VAL  12          HG11      VAL  12  46.932  15.352   5.292
   89   HG12  VAL  12          HG12      VAL  12  45.380  15.124   4.487
   90   HG13  VAL  12          HG13      VAL  12  45.809  16.704   5.142
   91   HG21  VAL  12          HG21      VAL  12  48.320  17.566   2.607
   92   HG22  VAL  12          HG22      VAL  12  48.688  16.847   4.174
   93   HG23  VAL  12          HG23      VAL  12  47.468  18.112   4.051
   94    H    GLY  13           HN       GLY  13  47.532  12.415   2.711
   95    HA2  GLY  13           HA1      GLY  13  44.878  11.681   2.791
   96    HA3  GLY  13           HA2      GLY  13  45.246  11.904   1.086
   97    H    ARG  14           HN       ARG  14  48.062  11.057   1.510
   98    HA   ARG  14           HA       ARG  14  49.255   9.115   1.204
   99    HB2  ARG  14           HB2      ARG  14  47.444   8.020   3.364
  100    HB3  ARG  14           HB1      ARG  14  49.088   7.508   2.978
  101    HG2  ARG  14           HG2      ARG  14  49.885   9.811   3.568
  102    HG3  ARG  14           HG1      ARG  14  48.246  10.197   4.096
  103    HD2  ARG  14           HD2      ARG  14  50.006   7.996   5.217
  104    HD3  ARG  14           HD1      ARG  14  49.604   9.515   6.021
  105    HE   ARG  14           HE       ARG  14  47.133   8.391   5.469
  106   HH11  ARG  14          HH11      ARG  14  47.528   8.635   8.238
  107   HH12  ARG  14          HH12      ARG  14  47.821   7.029   8.818
  108   HH21  ARG  14          HH21      ARG  14  48.590   5.757   5.684
  109   HH22  ARG  14          HH22      ARG  14  48.423   5.400   7.371
  110    H    HIS  15           HN       HIS  15  48.095   6.428   1.835
  111    HA   HIS  15           HA       HIS  15  47.160   4.701   0.650
  112    HB2  HIS  15           HB2      HIS  15  45.098   6.827   0.014
  113    HB3  HIS  15           HB1      HIS  15  44.878   5.090  -0.199
  114    HD1  HIS  15           HD1      HIS  15  46.795   6.225   2.778
  115    HD2  HIS  15           HD2      HIS  15  42.852   5.212   1.888
  116    HE1  HIS  15           HE1      HIS  15  45.625   5.881   4.997
  117    H    VAL  16           HN       VAL  16  45.495   6.379  -1.749
  118    HA   VAL  16           HA       VAL  16  46.948   5.279  -3.874
  119    HB   VAL  16           HB       VAL  16  45.693   6.804  -5.332
  120   HG11  VAL  16          HG11      VAL  16  43.961   5.894  -3.017
  121   HG12  VAL  16          HG12      VAL  16  44.576   4.816  -4.268
  122   HG13  VAL  16          HG13      VAL  16  43.460   6.113  -4.694
  123   HG21  VAL  16          HG21      VAL  16  45.844   8.881  -4.122
  124   HG22  VAL  16          HG22      VAL  16  45.053   8.182  -2.708
  125   HG23  VAL  16          HG23      VAL  16  44.133   8.460  -4.186
  126    H    GLY  17           HN       GLY  17  47.227   8.405  -2.260
  127    HA2  GLY  17           HA1      GLY  17  48.819   9.824  -3.982
  128    HA3  GLY  17           HA2      GLY  17  48.958   9.916  -2.232
  129    H    ARG  18           HN       ARG  18  50.172   7.951  -1.266
  130    HA   ARG  18           HA       ARG  18  52.123   6.625  -2.857
  131    HB2  ARG  18           HB2      ARG  18  52.990   9.003  -2.891
  132    HB3  ARG  18           HB1      ARG  18  53.216   8.868  -1.147
  133    HG2  ARG  18           HG2      ARG  18  54.739   6.988  -1.445
  134    HG3  ARG  18           HG1      ARG  18  54.442   6.984  -3.185
  135    HD2  ARG  18           HD2      ARG  18  55.326   9.336  -3.271
  136    HD3  ARG  18           HD1      ARG  18  55.776   9.175  -1.574
  137    HE   ARG  18           HE       ARG  18  57.611   7.862  -2.257
  138   HH11  ARG  18          HH11      ARG  18  56.728   5.569  -3.537
  139   HH12  ARG  18          HH12      ARG  18  56.999   5.813  -5.232
  140   HH21  ARG  18          HH21      ARG  18  57.306   9.256  -4.954
  141   HH22  ARG  18          HH22      ARG  18  57.326   7.902  -6.033
  142    H    ALA  19           HN       ALA  19  50.912   5.090  -1.446
  143    HA   ALA  19           HA       ALA  19  52.529   4.367   0.818
  144    HB1  ALA  19           HB1      ALA  19  50.693   4.437   2.474
  145    HB2  ALA  19           HB2      ALA  19  49.686   5.274   1.291
  146    HB3  ALA  19           HB3      ALA  19  51.148   6.044   1.907
  147    H    ALA  20           HN       ALA  20  52.787   2.326   0.103
  148    HA   ALA  20           HA       ALA  20  50.634   0.470   0.361
  149    HB1  ALA  20           HB1      ALA  20  50.050   1.410  -1.836
  150    HB2  ALA  20           HB2      ALA  20  50.529  -0.283  -1.960
  151    HB3  ALA  20           HB3      ALA  20  51.655   0.990  -2.434
  152    H    LEU  21           HN       LEU  21  51.366  -1.633   0.503
  153    HA   LEU  21           HA       LEU  21  54.188  -1.970   0.935
  154    HB2  LEU  21           HB2      LEU  21  52.154  -4.198   0.787
  155    HB3  LEU  21           HB1      LEU  21  53.641  -4.130   1.734
  156    HG   LEU  21           HG       LEU  21  51.148  -2.458   2.166
  157   HD11  LEU  21          HD11      LEU  21  51.059  -4.839   2.923
  158   HD12  LEU  21          HD12      LEU  21  50.976  -3.693   4.262
  159   HD13  LEU  21          HD13      LEU  21  52.483  -4.542   3.919
  160   HD21  LEU  21          HD21      LEU  21  52.467  -1.747   4.264
  161   HD22  LEU  21          HD22      LEU  21  52.985  -1.045   2.734
  162   HD23  LEU  21          HD23      LEU  21  53.896  -2.379   3.442
  163    H    THR  22           HN       THR  22  52.982  -1.423  -1.849
  164    HA   THR  22           HA       THR  22  53.333  -3.652  -3.507
  165    HB   THR  22           HB       THR  22  54.021  -0.800  -4.271
  166    HG1  THR  22           HG1      THR  22  51.503  -1.967  -4.640
  167   HG21  THR  22          HG21      THR  22  53.265  -1.563  -6.499
  168   HG22  THR  22          HG22      THR  22  52.988  -3.177  -5.844
  169   HG23  THR  22          HG23      THR  22  54.624  -2.523  -5.916
  170    H    HIS  23           HN       HIS  23  55.651  -0.967  -3.110
  171    HA   HIS  23           HA       HIS  23  57.940  -0.896  -3.247
  172    HB2  HIS  23           HB2      HIS  23  57.802  -3.768  -2.311
  173    HB3  HIS  23           HB1      HIS  23  59.163  -2.660  -2.146
  174    HD1  HIS  23           HD1      HIS  23  57.496  -0.147  -1.260
  175    HD2  HIS  23           HD2      HIS  23  57.181  -3.943   0.432
  176    HE1  HIS  23           HE1      HIS  23  56.531   0.180   1.059
  177    H    TYR  24           HN       TYR  24  59.783  -1.613  -4.476
  178    HA   TYR  24           HA       TYR  24  59.041  -2.623  -7.069
  179    HB2  TYR  24           HB2      TYR  24  61.443  -2.295  -7.592
  180    HB3  TYR  24           HB1      TYR  24  60.716  -0.860  -6.869
  181    HD1  TYR  24           HD1      TYR  24  63.087  -3.636  -6.381
  182    HD2  TYR  24           HD2      TYR  24  61.201  -0.223  -4.529
  183    HE1  TYR  24           HE1      TYR  24  64.767  -3.706  -4.543
  184    HE2  TYR  24           HE2      TYR  24  62.882  -0.293  -2.690
  185    HH   TYR  24           HH       TYR  24  64.363  -1.698  -1.658
  186    H    LEU  25           HN       LEU  25  58.989  -4.369  -4.546
  187    HA   LEU  25           HA       LEU  25  59.438  -6.554  -3.984
  188    HB2  LEU  25           HB2      LEU  25  60.075  -6.981  -6.906
  189    HB3  LEU  25           HB1      LEU  25  59.398  -8.133  -5.756
  190    HG   LEU  25           HG       LEU  25  58.026  -5.634  -6.792
  191   HD11  LEU  25          HD11      LEU  25  57.418  -8.574  -7.226
  192   HD12  LEU  25          HD12      LEU  25  58.182  -7.515  -8.410
  193   HD13  LEU  25          HD13      LEU  25  56.521  -7.215  -7.902
  194   HD21  LEU  25          HD21      LEU  25  56.033  -6.737  -5.572
  195   HD22  LEU  25          HD22      LEU  25  57.242  -5.953  -4.562
  196   HD23  LEU  25          HD23      LEU  25  57.239  -7.709  -4.726