*HEADER    ANTIMICROBIAL PROTEIN                   12-JUN-19   6RZ1              
*TITLE     WINTER FLOUNDER 3 IN SDS MICELLES                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PLEUROCIDIN-LIKE PEPTIDE WF3;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*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                                                 
*KEYWDS    WINTER FLOUNDER, AMP, ANTIMICROBIAL PEPTIDE, PLEUROCIDIN-LIKE,        
*KEYWDS   2 ANTIMICROBIAL PROTEIN                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    100                                                                   
*AUTHOR    A.J.MASON,M.CLARKE                                                    
*REVDAT   1   15-JUL-20 6RZ1    0                                                
# Restraints file 1: WF3-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    8 GLY  HA1     A   12 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
   1  1    8 GLY  HA2     A   12 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
   2  1   20 ILE  HA      A   22 ASN   HN     A    0.000   5.000 100.0 1.0 1.0
   3  1    8 GLY  HA1     A    9 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
   3  1    8 GLY  HA2     A    9 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
   4  1    6 ILE  HA      A   10 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
   5  1    6 ILE  HA      A    9 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
   6  1    9 ALA  HA      A   10 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
   7  1   14 ARG  HA      A   18 GLY   HN     A    0.000   3.300 100.0 1.0 1.0
   8  1    2 LEU  HA      A    4 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
   9  1    7 LYS  HA      A    8 GLY   HN     A    0.000   2.700 100.0 1.0 1.0
  10  1   13 GLY  HA1     A   17 HIS   HN     A    0.000   5.000 100.0 1.0 1.0
  10  1   13 GLY  HA2     A   17 HIS   HN     A    0.000   5.000 100.0 1.0 1.0
  11  1   13 GLY  HA1     A   15 PHE   HN     A    0.000   5.000 100.0 1.0 1.0
  11  1   13 GLY  HA2     A   15 PHE   HN     A    0.000   5.000 100.0 1.0 1.0
  12  1   11 HIS  HB1     A   15 PHE   HN     A    0.000   3.300 100.0 1.0 1.0
  12  1   11 HIS  HB2     A   15 PHE   HN     A    0.000   3.300 100.0 1.0 1.0
  13  1   19 MET  HA      A   21 GLN   HN     A    0.000   3.300 100.0 1.0 1.0
  14  1   19 MET  HA      A   22 ASN   HN     A    0.000   5.000 100.0 1.0 1.0
  15  1   19 MET  HA      A   23 HIS   HN     A    0.000   5.000 100.0 1.0 1.0
  16  1   10 ILE  HB      A   14 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  17  1    2 LEU  HB1     A    6 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  17  1    2 LEU  HB2     A    6 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  18  1   21 GLN  HG1     A   22 ASN   HN     A    0.000   5.000 100.0 1.0 1.0
  18  1   21 GLN  HG2     A   22 ASN   HN     A    0.000   5.000 100.0 1.0 1.0
  19  1   19 MET  HB1     A   22 ASN   HN     A    0.000   3.300 100.0 1.0 1.0
  19  1   19 MET  HB2     A   22 ASN   HN     A    0.000   3.300 100.0 1.0 1.0
  20  1   10 ILE  HB      A   11 HIS   HN     A    0.000   5.000 100.0 1.0 1.0
  21  1    7 LYS  HB1     A   10 ILE   HN     A    0.000   3.300 100.0 1.0 1.0
  21  1    7 LYS  HB2     A   10 ILE   HN     A    0.000   3.300 100.0 1.0 1.0
  22  1   10 ILE  HB      A   12 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
  23  1   18 GLY  HA1     A   22 ASN   HN     A    0.000   3.300 100.0 1.0 1.0
  23  1   18 GLY  HA2     A   22 ASN   HN     A    0.000   3.300 100.0 1.0 1.0
  24  1    3 GLY  HA1     A    4 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  24  1    3 GLY  HA2     A    4 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  25  1   20 ILE  HA      A   23 HIS   HN     A    0.000   5.000 100.0 1.0 1.0
  26  1    4 ALA  HB1     A    6 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  26  1    4 ALA  HB2     A    6 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  26  1    4 ALA  HB3     A    6 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  27  1    9 ALA  HB1     A   10 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  27  1    9 ALA  HB2     A   10 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  27  1    9 ALA  HB3     A   10 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  28  1   20 ILE  HD1     A   23 HIS   HN     A    0.000   5.000 100.0 1.0 1.0
  28  1   20 ILE  HD2     A   23 HIS   HN     A    0.000   5.000 100.0 1.0 1.0
  28  1   20 ILE  HD3     A   23 HIS   HN     A    0.000   5.000 100.0 1.0 1.0
  29  1   10 ILE  HG11    A   14 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  29  1   10 ILE  HG12    A   14 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  29  1   10 ILE  HG21    A   14 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  29  1   10 ILE  HG22    A   14 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  29  1   10 ILE  HG23    A   14 ARG   HN     A    0.000   5.000 100.0 1.0 1.0
  30  1   10 ILE  HG11    A   11 HIS   HN     A    0.000   2.700 100.0 1.0 1.0
  30  1   10 ILE  HG12    A   11 HIS   HN     A    0.000   2.700 100.0 1.0 1.0
  30  1   10 ILE  HG21    A   11 HIS   HN     A    0.000   2.700 100.0 1.0 1.0
  30  1   10 ILE  HG22    A   11 HIS   HN     A    0.000   2.700 100.0 1.0 1.0
  30  1   10 ILE  HG23    A   11 HIS   HN     A    0.000   2.700 100.0 1.0 1.0
  30  2    6 ILE  HG11    A    8 GLY   HN     A    0.000   2.700 100.0 1.0 1.0
  30  2    6 ILE  HG12    A    8 GLY   HN     A    0.000   2.700 100.0 1.0 1.0
  30  2    6 ILE  HG21    A    8 GLY   HN     A    0.000   2.700 100.0 1.0 1.0
  30  2    6 ILE  HG22    A    8 GLY   HN     A    0.000   2.700 100.0 1.0 1.0
  30  2    6 ILE  HG23    A    8 GLY   HN     A    0.000   2.700 100.0 1.0 1.0
  31  1   10 ILE  HG11    A   12 GLY   HN     A    0.000   3.300 100.0 1.0 1.0
  31  1   10 ILE  HG12    A   12 GLY   HN     A    0.000   3.300 100.0 1.0 1.0
  31  1   10 ILE  HG21    A   12 GLY   HN     A    0.000   3.300 100.0 1.0 1.0
  31  1   10 ILE  HG22    A   12 GLY   HN     A    0.000   3.300 100.0 1.0 1.0
  31  1   10 ILE  HG23    A   12 GLY   HN     A    0.000   3.300 100.0 1.0 1.0
  32  1   11 HIS  HA      A   12 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
  33  1   18 GLY  HN      A   15 PHE   HN     A    0.000   5.000 100.0 1.0 1.0
  34  1    8 GLY  HN      A    9 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  35  1   12 GLY  HN      A   15 PHE   HN     A    0.000   5.000 100.0 1.0 1.0
  36  1   17 HIS  HN      A   20 ILE   HN     A    0.000   3.300 100.0 1.0 1.0
  37  1   18 GLY  HN      A   19 MET   HN     A    0.000   2.700 100.0 1.0 1.0
  38  1   11 HIS  HN      A   15 PHE   HN     A    0.000   5.000 100.0 1.0 1.0
  39  1    6 ILE  HN      A   10 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  40  1    4 ALA  HN      A    6 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  41  1   22 ASN  HN      A   23 HIS   HN     A    0.000   3.300 100.0 1.0 1.0
  42       8 GLY  HN      A    9 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  43  1    9 ALA  HN      A   12 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
  44  1    8 GLY  HN      A   10 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  45  1   17 HIS  HN      A   19 MET   HN     A    0.000   5.000 100.0 1.0 1.0
  46  1    2 LEU  HN      A    3 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
  47  1    7 LYS  HB1     A    9 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  47  1    7 LYS  HB2     A    9 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  48  1   16 ILE  HB      A   20 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  49  1    7 LYS  HB1     A    8 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
  49  1    7 LYS  HB2     A    8 GLY   HN     A    0.000   5.000 100.0 1.0 1.0
  50  1    2 LEU  HB1     A    4 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  50  1    2 LEU  HB2     A    4 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  51  1   14 ARG  HD1     A   17 HIS   HN     A    0.000   5.000 100.0 1.0 1.0
  51  1   14 ARG  HD2     A   17 HIS   HN     A    0.000   5.000 100.0 1.0 1.0
  52  1   19 MET  HA      A   20 ILE   HD1    A    0.000   5.000 100.0 1.0 1.0
  52  1   19 MET  HA      A   20 ILE   HD2    A    0.000   5.000 100.0 1.0 1.0
  52  1   19 MET  HA      A   20 ILE   HD3    A    0.000   5.000 100.0 1.0 1.0
  53  1   19 MET  HA      A   22 ASN   HB1    A    0.000   5.000 100.0 1.0 1.0
  53  2   19 MET  HA      A   22 ASN   HB2    A    0.000   5.000 100.0 1.0 1.0
  54  1   19 MET  HA      A   22 ASN   HB1    A    0.000   5.000 100.0 1.0 1.0
  54  2   19 MET  HA      A   22 ASN   HB2    A    0.000   5.000 100.0 1.0 1.0
  55  1    6 ILE  HA      A    8 GLY   HA1    A    0.000   2.700 100.0 1.0 1.0
  55  1    6 ILE  HA      A    8 GLY   HA2    A    0.000   2.700 100.0 1.0 1.0
  56  1    6 ILE  HA      A    9 ALA   HA     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   PHE   1           HT1      PHE   1  61.522  -0.593   0.508
    2    H2   PHE   1           HT2      PHE   1  61.360  -2.284   0.467
    3    H3   PHE   1           HT3      PHE   1  62.674  -1.571   1.275
    4    HA   PHE   1           HA       PHE   1  59.997  -2.048   2.152
    5    HB2  PHE   1           HB2      PHE   1  62.643  -1.417   3.516
    6    HB3  PHE   1           HB1      PHE   1  61.146  -1.873   4.365
    7    HD1  PHE   1           HD1      PHE   1  63.925  -3.056   2.250
    8    HD2  PHE   1           HD2      PHE   1  60.172  -4.139   4.090
    9    HE1  PHE   1           HE1      PHE   1  64.423  -5.464   1.850
   10    HE2  PHE   1           HE2      PHE   1  60.673  -6.547   3.690
   11    HZ   PHE   1           HZ       PHE   1  62.792  -7.209   2.560
   12    H    LEU   2           HN       LEU   2  60.540   0.465   0.602
   13    HA   LEU   2           HA       LEU   2  60.517   2.653   2.513
   14    HB2  LEU   2           HB2      LEU   2  59.852   2.392  -0.441
   15    HB3  LEU   2           HB1      LEU   2  59.621   3.926   0.432
   16    HG   LEU   2           HG       LEU   2  62.011   3.884   1.121
   17   HD11  LEU   2          HD11      LEU   2  62.601   1.583   1.181
   18   HD12  LEU   2          HD12      LEU   2  63.475   2.207  -0.235
   19   HD13  LEU   2          HD13      LEU   2  61.970   1.283  -0.456
   20   HD21  LEU   2          HD21      LEU   2  61.327   5.055  -0.951
   21   HD22  LEU   2          HD22      LEU   2  61.545   3.550  -1.879
   22   HD23  LEU   2          HD23      LEU   2  62.950   4.349  -1.133
   23    H    GLY   3           HN       GLY   3  58.018   0.895   0.651
   24    HA2  GLY   3           HA1      GLY   3  55.781   0.565   1.204
   25    HA3  GLY   3           HA2      GLY   3  56.039   1.445   2.722
   26    H    ALA   4           HN       ALA   4  56.937   3.898   1.817
   27    HA   ALA   4           HA       ALA   4  54.407   5.069   0.948
   28    HB1  ALA   4           HB1      ALA   4  55.763   6.257   2.551
   29    HB2  ALA   4           HB2      ALA   4  55.724   7.205   1.043
   30    HB3  ALA   4           HB3      ALA   4  57.162   6.239   1.452
   31    H    LEU   5           HN       LEU   5  53.736   5.399  -1.060
   32    HA   LEU   5           HA       LEU   5  55.542   4.852  -3.315
   33    HB2  LEU   5           HB2      LEU   5  52.618   5.633  -3.042
   34    HB3  LEU   5           HB1      LEU   5  53.417   5.563  -4.630
   35    HG   LEU   5           HG       LEU   5  54.015   3.209  -4.261
   36   HD11  LEU   5          HD11      LEU   5  54.367   3.020  -1.917
   37   HD12  LEU   5          HD12      LEU   5  52.888   2.078  -2.204
   38   HD13  LEU   5          HD13      LEU   5  52.778   3.722  -1.529
   39   HD21  LEU   5          HD21      LEU   5  51.083   3.738  -3.599
   40   HD22  LEU   5          HD22      LEU   5  51.748   2.262  -4.340
   41   HD23  LEU   5          HD23      LEU   5  51.787   3.801  -5.232
   42    H    ILE   6           HN       ILE   6  56.123   7.130  -1.507
   43    HA   ILE   6           HA       ILE   6  56.388   9.478  -1.533
   44    HB   ILE   6           HB       ILE   6  58.306   8.174  -2.913
   45   HG12  ILE   6          HG12      ILE   6  59.259  10.632  -3.460
   46   HG13  ILE   6          HG11      ILE   6  57.825  11.148  -2.548
   47   HG21  ILE   6          HG21      ILE   6  56.757   8.560  -5.086
   48   HG22  ILE   6          HG22      ILE   6  58.528   8.578  -5.187
   49   HG23  ILE   6          HG23      ILE   6  57.631  10.107  -5.133
   50   HD11  ILE   6           HD1      ILE   6  58.606   9.441  -0.741
   51   HD12  ILE   6           HD2      ILE   6  59.522  10.957  -0.902
   52   HD13  ILE   6           HD3      ILE   6  60.159   9.452  -1.606
   53    H    LYS   7           HN       LYS   7  56.725  11.162  -3.935
   54    HA   LYS   7           HA       LYS   7  55.263  12.730  -4.848
   55    HB2  LYS   7           HB2      LYS   7  54.533  10.539  -6.200
   56    HB3  LYS   7           HB1      LYS   7  53.111  10.588  -5.135
   57    HG2  LYS   7           HG2      LYS   7  52.370  11.854  -6.977
   58    HG3  LYS   7           HG1      LYS   7  52.961  13.126  -5.888
   59    HD2  LYS   7           HD2      LYS   7  55.084  13.243  -7.120
   60    HD3  LYS   7           HD1      LYS   7  54.599  11.869  -8.141
   61    HE2  LYS   7           HE2      LYS   7  53.167  14.557  -7.982
   62    HE3  LYS   7           HE1      LYS   7  54.223  14.018  -9.310
   63    HZ1  LYS   7           HZ1      LYS   7  52.306  13.266 -10.171
   64    HZ2  LYS   7           HZ2      LYS   7  51.495  13.258  -8.677
   65    HZ3  LYS   7           HZ3      LYS   7  52.510  11.964  -9.102
   66    H    GLY   8           HN       GLY   8  55.649  11.724  -2.366
   67    HA2  GLY   8           HA1      GLY   8  54.989  11.470  -0.267
   68    HA3  GLY   8           HA2      GLY   8  54.376  13.154  -0.479
   69    H    ALA   9           HN       ALA   9  53.612   9.724  -0.520
   70    HA   ALA   9           HA       ALA   9  51.627   8.570  -0.301
   71    HB1  ALA   9           HB1      ALA   9  49.914   9.602   1.177
   72    HB2  ALA   9           HB2      ALA   9  50.813  11.136   1.113
   73    HB3  ALA   9           HB3      ALA   9  51.552   9.700   1.862
   74    H    ILE  10           HN       ILE  10  51.584   8.861  -2.696
   75    HA   ILE  10           HA       ILE  10  50.345   9.188  -4.608
   76    HB   ILE  10           HB       ILE  10  48.225   9.579  -2.487
   77   HG12  ILE  10          HG12      ILE  10  47.085   7.842  -3.835
   78   HG13  ILE  10          HG11      ILE  10  48.373   7.948  -5.058
   79   HG21  ILE  10          HG21      ILE  10  47.528  11.432  -3.802
   80   HG22  ILE  10          HG22      ILE  10  46.527  10.073  -4.363
   81   HG23  ILE  10          HG23      ILE  10  47.925  10.606  -5.328
   82   HD11  ILE  10           HD1      ILE  10  48.946   7.325  -2.133
   83   HD12  ILE  10           HD2      ILE  10  50.023   7.106  -3.534
   84   HD13  ILE  10           HD3      ILE  10  48.600   6.057  -3.333
   85    H    HIS  11           HN       HIS  11  49.265  11.908  -2.506
   86    HA   HIS  11           HA       HIS  11  50.883  13.800  -4.068
   87    HB2  HIS  11           HB2      HIS  11  48.893  13.530  -5.530
   88    HB3  HIS  11           HB1      HIS  11  47.840  13.949  -4.157
   89    HD1  HIS  11           HD1      HIS  11  50.999  15.492  -5.745
   90    HD2  HIS  11           HD2      HIS  11  47.278  16.643  -4.164
   91    HE1  HIS  11           HE1      HIS  11  50.809  18.027  -6.013
   92    H    GLY  12           HN       GLY  12  49.623  12.633  -1.328
   93    HA2  GLY  12           HA1      GLY  12  50.414  13.972   0.684
   94    HA3  GLY  12           HA2      GLY  12  49.476  15.328   0.028
   95    H    GLY  13           HN       GLY  13  47.976  12.365  -0.638
   96    HA2  GLY  13           HA1      GLY  13  46.137  11.299   0.287
   97    HA3  GLY  13           HA2      GLY  13  46.668  11.891   1.875
   98    H    ARG  14           HN       ARG  14  45.258  13.145  -1.173
   99    HA   ARG  14           HA       ARG  14  42.948  14.207   0.233
  100    HB2  ARG  14           HB2      ARG  14  44.554  15.931   0.915
  101    HB3  ARG  14           HB1      ARG  14  45.071  16.153  -0.770
  102    HG2  ARG  14           HG2      ARG  14  43.469  17.919  -0.018
  103    HG3  ARG  14           HG1      ARG  14  42.840  16.983  -1.388
  104    HD2  ARG  14           HD2      ARG  14  41.266  15.842  -0.047
  105    HD3  ARG  14           HD1      ARG  14  42.173  16.149   1.455
  106    HE   ARG  14           HE       ARG  14  40.224  17.941   0.236
  107   HH11  ARG  14          HH11      ARG  14  41.265  20.232   0.357
  108   HH12  ARG  14          HH12      ARG  14  41.820  20.621   1.950
  109   HH21  ARG  14          HH21      ARG  14  41.728  17.341   3.070
  110   HH22  ARG  14          HH22      ARG  14  42.082  18.984   3.486
  111    H    PHE  15           HN       PHE  15  44.970  13.725  -2.548
  112    HA   PHE  15           HA       PHE  15  43.358  14.903  -4.575
  113    HB2  PHE  15           HB2      PHE  15  45.623  14.052  -4.997
  114    HB3  PHE  15           HB1      PHE  15  45.077  12.390  -4.676
  115    HD1  PHE  15           HD1      PHE  15  44.608  15.336  -6.943
  116    HD2  PHE  15           HD2      PHE  15  43.972  11.104  -6.375
  117    HE1  PHE  15           HE1      PHE  15  43.886  15.126  -9.318
  118    HE2  PHE  15           HE2      PHE  15  43.250  10.894  -8.750
  119    HZ   PHE  15           HZ       PHE  15  43.156  12.913 -10.206
  120    H    ILE  16           HN       ILE  16  43.400  11.521  -3.349
  121    HA   ILE  16           HA       ILE  16  41.097  10.747  -4.903
  122    HB   ILE  16           HB       ILE  16  42.000   9.453  -2.295
  123   HG12  ILE  16          HG12      ILE  16  43.092   9.084  -5.121
  124   HG13  ILE  16          HG11      ILE  16  43.967   9.805  -3.750
  125   HG21  ILE  16          HG21      ILE  16  40.997   7.474  -3.193
  126   HG22  ILE  16          HG22      ILE  16  40.865   8.186  -4.819
  127   HG23  ILE  16          HG23      ILE  16  39.824   8.774  -3.501
  128   HD11  ILE  16           HD1      ILE  16  43.093   6.920  -4.130
  129   HD12  ILE  16           HD2      ILE  16  43.489   7.562  -2.517
  130   HD13  ILE  16           HD3      ILE  16  44.721   7.553  -3.799
  131    H    HIS  17           HN       HIS  17  41.206  10.710  -1.304
  132    HA   HIS  17           HA       HIS  17  39.065  12.642  -1.025
  133    HB2  HIS  17           HB2      HIS  17  38.383   9.686  -1.064
  134    HB3  HIS  17           HB1      HIS  17  37.475  10.786  -0.002
  135    HD1  HIS  17           HD1      HIS  17  36.905  13.214  -1.547
  136    HD2  HIS  17           HD2      HIS  17  37.068   9.480  -3.470
  137    HE1  HIS  17           HE1      HIS  17  35.557  13.410  -3.708
  138    H    GLY  18           HN       GLY  18  40.899  13.280   0.324
  139    HA2  GLY  18           HA1      GLY  18  41.866  13.479   2.426
  140    HA3  GLY  18           HA2      GLY  18  40.479  12.592   3.066
  141    H    MET  19           HN       MET  19  42.642  11.270   0.634
  142    HA   MET  19           HA       MET  19  44.070   9.505   0.929
  143    HB2  MET  19           HB2      MET  19  44.812  10.965   2.989
  144    HB3  MET  19           HB1      MET  19  44.081   9.621   3.886
  145    HG2  MET  19           HG2      MET  19  45.541   8.044   2.511
  146    HG3  MET  19           HG1      MET  19  46.389   9.486   1.904
  147    HE1  MET  19           HE1      MET  19  47.587   7.045   3.296
  148    HE2  MET  19           HE2      MET  19  48.683   7.636   4.567
  149    HE3  MET  19           HE3      MET  19  48.711   8.382   2.952
  150    H    ILE  20           HN       ILE  20  41.031   9.609   1.805
  151    HA   ILE  20           HA       ILE  20  39.481   7.945   2.272
  152    HB   ILE  20           HB       ILE  20  41.639   5.871   1.636
  153   HG12  ILE  20          HG12      ILE  20  41.276   7.672  -0.203
  154   HG13  ILE  20          HG11      ILE  20  41.114   5.971  -0.678
  155   HG21  ILE  20          HG21      ILE  20  38.601   5.844   1.678
  156   HG22  ILE  20          HG22      ILE  20  39.725   4.876   2.659
  157   HG23  ILE  20          HG23      ILE  20  39.573   4.566   0.913
  158   HD11  ILE  20           HD1      ILE  20  39.292   7.544  -1.544
  159   HD12  ILE  20           HD2      ILE  20  38.723   7.678   0.132
  160   HD13  ILE  20           HD3      ILE  20  38.712   6.101  -0.686
  161    H    GLN  21           HN       GLN  21  42.527   8.384   3.645
  162    HA   GLN  21           HA       GLN  21  41.749   6.773   6.112
  163    HB2  GLN  21           HB2      GLN  21  44.409   7.489   4.842
  164    HB3  GLN  21           HB1      GLN  21  44.321   7.229   6.598
  165    HG2  GLN  21           HG2      GLN  21  44.913   5.141   5.378
  166    HG3  GLN  21           HG1      GLN  21  43.364   4.987   6.241
  167   HE21  GLN  21          HE21      GLN  21  41.428   4.698   5.009
  168   HE22  GLN  21          HE22      GLN  21  41.452   4.528   3.251
  169    H    ASN  22           HN       ASN  22  41.599   9.816   4.753
  170    HA   ASN  22           HA       ASN  22  41.749  11.084   7.472
  171    HB2  ASN  22           HB2      ASN  22  43.578  11.632   5.428
  172    HB3  ASN  22           HB1      ASN  22  42.312  12.837   5.098
  173   HD21  ASN  22          HD21      ASN  22  44.997  12.032   7.173
  174   HD22  ASN  22          HD22      ASN  22  44.798  13.381   8.296
  175    H    HIS  23           HN       HIS  23  40.461  10.659   4.207
  176    HA   HIS  23           HA       HIS  23  38.413  11.382   3.301
  177    HB2  HIS  23           HB2      HIS  23  37.649   9.641   4.851
  178    HB3  HIS  23           HB1      HIS  23  37.542  10.834   6.166
  179    HD1  HIS  23           HD1      HIS  23  35.061  11.055   6.543
  180    HD2  HIS  23           HD2      HIS  23  36.082  11.230   2.467
  181    HE1  HIS  23           HE1      HIS  23  32.947  11.690   5.256
  182    H    HIS  24           HN       HIS  24  36.901  12.546   6.132
  183    HA   HIS  24           HA       HIS  24  36.729  15.228   5.018
  184    HB2  HIS  24           HB2      HIS  24  34.919  14.094   6.357
  185    HB3  HIS  24           HB1      HIS  24  35.946  14.275   7.800
  186    HD1  HIS  24           HD1      HIS  24  34.812  16.605   4.940
  187    HD2  HIS  24           HD2      HIS  24  35.322  16.610   9.115
  188    HE1  HIS  24           HE1      HIS  24  34.073  18.896   5.795
  Start of MODEL    2
    1    H1   PHE   1           HT1      PHE   1  61.370   0.314   3.170
    2    H2   PHE   1           HT2      PHE   1  62.441  -0.046   4.439
    3    H3   PHE   1           HT3      PHE   1  62.212   1.564   3.945
    4    HA   PHE   1           HA       PHE   1  60.257  -0.206   5.263
    5    HB2  PHE   1           HB2      PHE   1  61.415   2.457   6.164
    6    HB3  PHE   1           HB1      PHE   1  60.419   1.325   7.110
    7    HD1  PHE   1           HD1      PHE   1  63.769   1.944   5.646
    8    HD2  PHE   1           HD2      PHE   1  61.360  -0.749   8.006
    9    HE1  PHE   1           HE1      PHE   1  65.827   0.743   6.375
   10    HE2  PHE   1           HE2      PHE   1  63.418  -1.951   8.735
   11    HZ   PHE   1           HZ       PHE   1  65.654  -1.176   7.955
   12    H    LEU   2           HN       LEU   2  60.927   2.922   3.679
   13    HA   LEU   2           HA       LEU   2  58.215   3.902   3.936
   14    HB2  LEU   2           HB2      LEU   2  60.230   4.677   1.797
   15    HB3  LEU   2           HB1      LEU   2  58.897   5.656   2.451
   16    HG   LEU   2           HG       LEU   2  61.321   4.697   4.042
   17   HD11  LEU   2          HD11      LEU   2  61.864   6.415   2.327
   18   HD12  LEU   2          HD12      LEU   2  62.010   7.063   3.978
   19   HD13  LEU   2          HD13      LEU   2  60.587   7.464   2.987
   20   HD21  LEU   2          HD21      LEU   2  60.374   6.507   5.657
   21   HD22  LEU   2          HD22      LEU   2  59.514   4.954   5.583
   22   HD23  LEU   2          HD23      LEU   2  58.866   6.370   4.721
   23    H    GLY   3           HN       GLY   3  56.889   2.142   3.301
   24    HA2  GLY   3           HA1      GLY   3  57.119   0.981   0.657
   25    HA3  GLY   3           HA2      GLY   3  55.751   0.813   1.776
   26    H    ALA   4           HN       ALA   4  56.070   4.010   1.713
   27    HA   ALA   4           HA       ALA   4  53.816   4.375  -0.067
   28    HB1  ALA   4           HB1      ALA   4  54.180   5.805   1.888
   29    HB2  ALA   4           HB2      ALA   4  54.160   6.779   0.398
   30    HB3  ALA   4           HB3      ALA   4  55.707   6.394   1.190
   31    H    LEU   5           HN       LEU   5  53.680   5.269  -2.092
   32    HA   LEU   5           HA       LEU   5  56.070   4.957  -3.763
   33    HB2  LEU   5           HB2      LEU   5  53.426   6.177  -4.621
   34    HB3  LEU   5           HB1      LEU   5  54.605   5.272  -5.601
   35    HG   LEU   5           HG       LEU   5  52.860   4.153  -3.362
   36   HD11  LEU   5          HD11      LEU   5  51.799   2.879  -5.157
   37   HD12  LEU   5          HD12      LEU   5  52.938   3.548  -6.350
   38   HD13  LEU   5          HD13      LEU   5  51.744   4.610  -5.565
   39   HD21  LEU   5          HD21      LEU   5  55.115   2.939  -5.015
   40   HD22  LEU   5          HD22      LEU   5  53.869   1.936  -4.233
   41   HD23  LEU   5          HD23      LEU   5  54.935   2.959  -3.244
   42    H    ILE   6           HN       ILE   6  56.140   7.027  -1.649
   43    HA   ILE   6           HA       ILE   6  56.620   9.319  -1.374
   44    HB   ILE   6           HB       ILE   6  57.939   9.295  -4.131
   45   HG12  ILE   6          HG12      ILE   6  58.828   7.620  -1.737
   46   HG13  ILE   6          HG11      ILE   6  58.337   7.011  -3.334
   47   HG21  ILE   6          HG21      ILE   6  59.134  10.034  -1.430
   48   HG22  ILE   6          HG22      ILE   6  58.070  11.159  -2.303
   49   HG23  ILE   6          HG23      ILE   6  59.591  10.616  -3.049
   50   HD11  ILE   6           HD1      ILE   6  60.724   7.019  -3.377
   51   HD12  ILE   6           HD2      ILE   6  60.810   8.627  -2.619
   52   HD13  ILE   6           HD3      ILE   6  60.240   8.463  -4.298
   53    H    LYS   7           HN       LYS   7  57.166  11.068  -3.852
   54    HA   LYS   7           HA       LYS   7  55.861  12.820  -4.669
   55    HB2  LYS   7           HB2      LYS   7  53.636  10.742  -4.980
   56    HB3  LYS   7           HB1      LYS   7  53.764  12.298  -5.835
   57    HG2  LYS   7           HG2      LYS   7  55.997  11.425  -6.780
   58    HG3  LYS   7           HG1      LYS   7  55.513   9.828  -6.162
   59    HD2  LYS   7           HD2      LYS   7  53.950  11.542  -8.146
   60    HD3  LYS   7           HD1      LYS   7  54.853  10.057  -8.524
   61    HE2  LYS   7           HE2      LYS   7  53.336   8.917  -6.736
   62    HE3  LYS   7           HE1      LYS   7  52.307  10.361  -6.899
   63    HZ1  LYS   7           HZ1      LYS   7  53.175   9.130  -9.387
   64    HZ2  LYS   7           HZ2      LYS   7  51.663   9.774  -8.957
   65    HZ3  LYS   7           HZ3      LYS   7  52.097   8.210  -8.456
   66    H    GLY   8           HN       GLY   8  56.156  11.719  -2.213
   67    HA2  GLY   8           HA1      GLY   8  55.478  11.471  -0.114
   68    HA3  GLY   8           HA2      GLY   8  55.113  13.235  -0.268
   69    H    ALA   9           HN       ALA   9  53.851   9.964  -0.528
   70    HA   ALA   9           HA       ALA   9  51.758   9.080  -0.230
   71    HB1  ALA   9           HB1      ALA   9  51.912  10.526   1.876
   72    HB2  ALA   9           HB2      ALA   9  50.273  10.112   1.321
   73    HB3  ALA   9           HB3      ALA   9  50.940  11.730   1.001
   74    H    ILE  10           HN       ILE  10  51.807   9.282  -2.609
   75    HA   ILE  10           HA       ILE  10  50.988  10.048  -4.635
   76    HB   ILE  10           HB       ILE  10  48.278  10.425  -4.395
   77   HG12  ILE  10          HG12      ILE  10  49.108   8.851  -1.903
   78   HG13  ILE  10          HG11      ILE  10  48.288  10.430  -1.928
   79   HG21  ILE  10          HG21      ILE  10  48.001   8.068  -4.846
   80   HG22  ILE  10          HG22      ILE  10  49.535   7.669  -4.038
   81   HG23  ILE  10          HG23      ILE  10  49.541   8.550  -5.584
   82   HD11  ILE  10           HD1      ILE  10  46.469   9.166  -3.360
   83   HD12  ILE  10           HD2      ILE  10  46.497   8.943  -1.596
   84   HD13  ILE  10           HD3      ILE  10  47.198   7.702  -2.660
   85    H    HIS  11           HN       HIS  11  48.596  11.966  -2.804
   86    HA   HIS  11           HA       HIS  11  50.039  14.458  -3.679
   87    HB2  HIS  11           HB2      HIS  11  48.094  13.765  -5.246
   88    HB3  HIS  11           HB1      HIS  11  47.017  14.162  -3.888
   89    HD1  HIS  11           HD1      HIS  11  47.019  16.674  -3.029
   90    HD2  HIS  11           HD2      HIS  11  49.266  16.001  -6.518
   91    HE1  HIS  11           HE1      HIS  11  47.474  18.952  -4.094
   92    H    GLY  12           HN       GLY  12  50.106  13.224  -1.137
   93    HA2  GLY  12           HA1      GLY  12  49.841  13.823   1.083
   94    HA3  GLY  12           HA2      GLY  12  49.390  15.439   0.509
   95    H    GLY  13           HN       GLY  13  47.906  12.168   0.303
   96    HA2  GLY  13           HA1      GLY  13  45.699  11.537   0.665
   97    HA3  GLY  13           HA2      GLY  13  45.846  12.514   2.141
   98    H    ARG  14           HN       ARG  14  45.510  13.050  -1.391
   99    HA   ARG  14           HA       ARG  14  43.026  14.571  -0.931
  100    HB2  ARG  14           HB2      ARG  14  44.689  16.314  -0.506
  101    HB3  ARG  14           HB1      ARG  14  45.552  15.901  -2.002
  102    HG2  ARG  14           HG2      ARG  14  44.093  17.925  -2.245
  103    HG3  ARG  14           HG1      ARG  14  43.637  16.621  -3.359
  104    HD2  ARG  14           HD2      ARG  14  41.682  16.093  -2.136
  105    HD3  ARG  14           HD1      ARG  14  42.291  16.856  -0.646
  106    HE   ARG  14           HE       ARG  14  42.101  18.938  -2.508
  107   HH11  ARG  14          HH11      ARG  14  40.213  20.146  -2.808
  108   HH12  ARG  14          HH12      ARG  14  38.712  19.548  -2.185
  109   HH21  ARG  14          HH21      ARG  14  40.082  16.604  -0.974
  110   HH22  ARG  14          HH22      ARG  14  38.638  17.543  -1.146
  111    H    PHE  15           HN       PHE  15  45.447  13.047  -2.945
  112    HA   PHE  15           HA       PHE  15  44.520  13.581  -5.531
  113    HB2  PHE  15           HB2      PHE  15  46.467  12.082  -4.855
  114    HB3  PHE  15           HB1      PHE  15  45.272  10.800  -4.561
  115    HD1  PHE  15           HD1      PHE  15  43.966   9.831  -6.419
  116    HD2  PHE  15           HD2      PHE  15  46.963  12.855  -7.122
  117    HE1  PHE  15           HE1      PHE  15  43.934   9.295  -8.852
  118    HE2  PHE  15           HE2      PHE  15  46.933  12.320  -9.555
  119    HZ   PHE  15           HZ       PHE  15  45.415  10.542 -10.421
  120    H    ILE  16           HN       ILE  16  43.375  10.949  -3.356
  121    HA   ILE  16           HA       ILE  16  41.124  10.389  -5.173
  122    HB   ILE  16           HB       ILE  16  41.417   9.276  -2.352
  123   HG12  ILE  16          HG12      ILE  16  42.863   8.385  -4.892
  124   HG13  ILE  16          HG11      ILE  16  43.624   9.057  -3.432
  125   HG21  ILE  16          HG21      ILE  16  40.246   7.371  -3.313
  126   HG22  ILE  16          HG22      ILE  16  40.423   8.032  -4.955
  127   HG23  ILE  16          HG23      ILE  16  39.361   8.841  -3.779
  128   HD11  ILE  16           HD1      ILE  16  43.898   6.735  -3.126
  129   HD12  ILE  16           HD2      ILE  16  42.305   6.354  -3.817
  130   HD13  ILE  16           HD3      ILE  16  42.422   7.068  -2.189
  131    H    HIS  17           HN       HIS  17  41.010  10.883  -1.585
  132    HA   HIS  17           HA       HIS  17  39.390  13.261  -1.762
  133    HB2  HIS  17           HB2      HIS  17  37.700  11.702  -2.683
  134    HB3  HIS  17           HB1      HIS  17  37.883  10.660  -1.252
  135    HD1  HIS  17           HD1      HIS  17  36.517  11.227   0.782
  136    HD2  HIS  17           HD2      HIS  17  36.744  14.431  -1.932
  137    HE1  HIS  17           HE1      HIS  17  34.925  13.045   1.614
  138    H    GLY  18           HN       GLY  18  41.269  13.445  -0.228
  139    HA2  GLY  18           HA1      GLY  18  41.993  13.591   1.981
  140    HA3  GLY  18           HA2      GLY  18  40.319  13.306   2.449
  141    H    MET  19           HN       MET  19  42.813  11.480   0.786
  142    HA   MET  19           HA       MET  19  43.210   9.250   0.990
  143    HB2  MET  19           HB2      MET  19  44.608  10.583   2.738
  144    HB3  MET  19           HB1      MET  19  43.643   9.636   3.888
  145    HG2  MET  19           HG2      MET  19  44.392   7.547   2.608
  146    HG3  MET  19           HG1      MET  19  45.539   8.595   1.743
  147    HE1  MET  19           HE1      MET  19  47.711   6.556   4.289
  148    HE2  MET  19           HE2      MET  19  47.455   6.995   2.583
  149    HE3  MET  19           HE3      MET  19  46.234   6.030   3.447
  150    H    ILE  20           HN       ILE  20  40.385   9.983   1.532
  151    HA   ILE  20           HA       ILE  20  38.507   8.884   2.350
  152    HB   ILE  20           HB       ILE  20  40.378   6.518   1.859
  153   HG12  ILE  20          HG12      ILE  20  38.900   6.081  -0.003
  154   HG13  ILE  20          HG11      ILE  20  37.699   7.247   0.597
  155   HG21  ILE  20          HG21      ILE  20  39.067   5.682   3.666
  156   HG22  ILE  20          HG22      ILE  20  38.221   5.116   2.208
  157   HG23  ILE  20          HG23      ILE  20  37.604   6.525   3.106
  158   HD11  ILE  20           HD1      ILE  20  39.191   8.048  -1.336
  159   HD12  ILE  20           HD2      ILE  20  40.531   8.071  -0.166
  160   HD13  ILE  20           HD3      ILE  20  39.114   9.121   0.079
  161    H    GLN  21           HN       GLN  21  41.434   9.307   3.796
  162    HA   GLN  21           HA       GLN  21  40.264   8.765   6.538
  163    HB2  GLN  21           HB2      GLN  21  42.961   7.807   5.512
  164    HB3  GLN  21           HB1      GLN  21  42.520   7.876   7.235
  165    HG2  GLN  21           HG2      GLN  21  40.555   6.409   6.767
  166    HG3  GLN  21           HG1      GLN  21  41.071   6.293   5.067
  167   HE21  GLN  21          HE21      GLN  21  42.798   4.867   4.534
  168   HE22  GLN  21          HE22      GLN  21  43.614   3.872   5.744
  169    H    ASN  22           HN       ASN  22  42.212  10.735   4.345
  170    HA   ASN  22           HA       ASN  22  43.379  12.259   6.616
  171    HB2  ASN  22           HB2      ASN  22  44.751  12.027   4.608
  172    HB3  ASN  22           HB1      ASN  22  43.453  12.698   3.600
  173   HD21  ASN  22          HD21      ASN  22  44.174  13.944   6.868
  174   HD22  ASN  22          HD22      ASN  22  44.803  15.498   6.312
  175    H    HIS  23           HN       HIS  23  40.862  12.363   4.140
  176    HA   HIS  23           HA       HIS  23  38.847  13.586   4.171
  177    HB2  HIS  23           HB2      HIS  23  39.118  13.277   6.766
  178    HB3  HIS  23           HB1      HIS  23  39.594  14.990   6.758
  179    HD1  HIS  23           HD1      HIS  23  37.701  16.559   7.088
  180    HD2  HIS  23           HD2      HIS  23  36.491  13.043   5.122
  181    HE1  HIS  23           HE1      HIS  23  35.182  16.732   6.701
  182    H    HIS  24           HN       HIS  24  38.225  16.178   4.875
  183    HA   HIS  24           HA       HIS  24  38.429  18.304   3.961
  184    HB2  HIS  24           HB2      HIS  24  41.339  17.767   4.674
  185    HB3  HIS  24           HB1      HIS  24  40.676  19.364   4.250
  186    HD1  HIS  24           HD1      HIS  24  40.471  16.637   6.901
  187    HD2  HIS  24           HD2      HIS  24  39.092  20.559   6.274
  188    HE1  HIS  24           HE1      HIS  24  39.535  17.479   9.123
  Start of MODEL    3
    1    H1   PHE   1           HT1      PHE   1  61.115   2.491   0.299
    2    H2   PHE   1           HT2      PHE   1  62.070   1.532   1.329
    3    H3   PHE   1           HT3      PHE   1  62.806   2.560   0.193
    4    HA   PHE   1           HA       PHE   1  62.179   3.095   2.817
    5    HB2  PHE   1           HB2      PHE   1  63.082   4.838   0.491
    6    HB3  PHE   1           HB1      PHE   1  63.105   5.349   2.197
    7    HD1  PHE   1           HD1      PHE   1  64.593   3.074  -0.322
    8    HD2  PHE   1           HD2      PHE   1  64.666   4.352   3.800
    9    HE1  PHE   1           HE1      PHE   1  66.774   1.913  -0.002
   10    HE2  PHE   1           HE2      PHE   1  66.848   3.190   4.121
   11    HZ   PHE   1           HZ       PHE   1  67.862   1.909   2.240
   12    H    LEU   2           HN       LEU   2  60.490   3.957   3.822
   13    HA   LEU   2           HA       LEU   2  58.396   4.917   4.112
   14    HB2  LEU   2           HB2      LEU   2  59.108   6.781   1.823
   15    HB3  LEU   2           HB1      LEU   2  58.135   7.121   3.273
   16    HG   LEU   2           HG       LEU   2  61.133   6.563   3.189
   17   HD11  LEU   2          HD11      LEU   2  61.370   8.882   3.844
   18   HD12  LEU   2          HD12      LEU   2  59.610   9.061   4.046
   19   HD13  LEU   2          HD13      LEU   2  60.303   8.836   2.422
   20   HD21  LEU   2          HD21      LEU   2  60.338   5.620   5.242
   21   HD22  LEU   2          HD22      LEU   2  59.167   6.939   5.488
   22   HD23  LEU   2          HD23      LEU   2  60.911   7.246   5.676
   23    H    GLY   3           HN       GLY   3  57.437   2.924   3.294
   24    HA2  GLY   3           HA1      GLY   3  56.715   2.536   0.578
   25    HA3  GLY   3           HA2      GLY   3  55.876   1.843   1.979
   26    H    ALA   4           HN       ALA   4  56.040   4.543  -0.283
   27    HA   ALA   4           HA       ALA   4  53.146   4.946  -0.019
   28    HB1  ALA   4           HB1      ALA   4  53.186   7.212   0.750
   29    HB2  ALA   4           HB2      ALA   4  54.965   7.269   0.686
   30    HB3  ALA   4           HB3      ALA   4  54.149   6.258   1.902
   31    H    LEU   5           HN       LEU   5  55.673   4.532  -1.868
   32    HA   LEU   5           HA       LEU   5  56.291   5.176  -4.013
   33    HB2  LEU   5           HB2      LEU   5  53.295   5.649  -4.003
   34    HB3  LEU   5           HB1      LEU   5  54.261   5.910  -5.468
   35    HG   LEU   5           HG       LEU   5  53.153   3.609  -5.222
   36   HD11  LEU   5          HD11      LEU   5  56.179   3.355  -5.427
   37   HD12  LEU   5          HD12      LEU   5  55.230   4.191  -6.677
   38   HD13  LEU   5          HD13      LEU   5  54.918   2.479  -6.319
   39   HD21  LEU   5          HD21      LEU   5  54.122   1.986  -3.726
   40   HD22  LEU   5          HD22      LEU   5  53.723   3.420  -2.753
   41   HD23  LEU   5          HD23      LEU   5  55.409   3.109  -3.230
   42    H    ILE   6           HN       ILE   6  56.113   7.261  -1.739
   43    HA   ILE   6           HA       ILE   6  56.297   9.595  -1.486
   44    HB   ILE   6           HB       ILE   6  57.634   9.785  -4.224
   45   HG12  ILE   6          HG12      ILE   6  58.288   7.504  -3.395
   46   HG13  ILE   6          HG11      ILE   6  59.648   8.634  -3.501
   47   HG21  ILE   6          HG21      ILE   6  58.338  10.715  -1.400
   48   HG22  ILE   6          HG22      ILE   6  57.736  11.713  -2.740
   49   HG23  ILE   6          HG23      ILE   6  59.356  10.988  -2.832
   50   HD11  ILE   6           HD1      ILE   6  59.429   7.164  -1.353
   51   HD12  ILE   6           HD2      ILE   6  58.140   8.293  -0.887
   52   HD13  ILE   6           HD3      ILE   6  59.793   8.891  -1.155
   53    H    LYS   7           HN       LYS   7  56.601  11.351  -4.051
   54    HA   LYS   7           HA       LYS   7  55.052  12.885  -4.887
   55    HB2  LYS   7           HB2      LYS   7  53.095  10.540  -5.056
   56    HB3  LYS   7           HB1      LYS   7  53.039  12.050  -5.997
   57    HG2  LYS   7           HG2      LYS   7  55.213  11.434  -7.064
   58    HG3  LYS   7           HG1      LYS   7  55.189   9.893  -6.174
   59    HD2  LYS   7           HD2      LYS   7  53.062   9.275  -7.260
   60    HD3  LYS   7           HD1      LYS   7  53.040  10.830  -8.126
   61    HE2  LYS   7           HE2      LYS   7  53.918   9.023  -9.576
   62    HE3  LYS   7           HE1      LYS   7  55.173  10.241  -9.244
   63    HZ1  LYS   7           HZ1      LYS   7  54.873   7.807  -7.578
   64    HZ2  LYS   7           HZ2      LYS   7  56.213   8.844  -7.706
   65    HZ3  LYS   7           HZ3      LYS   7  55.810   7.808  -8.992
   66    H    GLY   8           HN       GLY   8  55.559  11.938  -2.403
   67    HA2  GLY   8           HA1      GLY   8  54.950  11.657  -0.280
   68    HA3  GLY   8           HA2      GLY   8  54.362  13.355  -0.478
   69    H    ALA   9           HN       ALA   9  53.550   9.961  -0.356
   70    HA   ALA   9           HA       ALA   9  51.566   8.837  -0.053
   71    HB1  ALA   9           HB1      ALA   9  50.670  11.455   1.207
   72    HB2  ALA   9           HB2      ALA   9  51.617  10.196   2.038
   73    HB3  ALA   9           HB3      ALA   9  49.963   9.845   1.481
   74    H    ILE  10           HN       ILE  10  51.515   9.085  -2.480
   75    HA   ILE  10           HA       ILE  10  50.251   9.354  -4.383
   76    HB   ILE  10           HB       ILE  10  48.162   9.653  -2.227
   77   HG12  ILE  10          HG12      ILE  10  47.050   7.896  -3.581
   78   HG13  ILE  10          HG11      ILE  10  48.314   8.061  -4.822
   79   HG21  ILE  10          HG21      ILE  10  47.350  11.496  -3.487
   80   HG22  ILE  10          HG22      ILE  10  46.397  10.106  -4.054
   81   HG23  ILE  10          HG23      ILE  10  47.746  10.718  -5.040
   82   HD11  ILE  10           HD1      ILE  10  50.014   7.246  -3.344
   83   HD12  ILE  10           HD2      ILE  10  48.624   6.160  -3.112
   84   HD13  ILE  10           HD3      ILE  10  48.966   7.432  -1.916
   85    H    HIS  11           HN       HIS  11  49.063  12.058  -2.317
   86    HA   HIS  11           HA       HIS  11  50.521  13.982  -4.051
   87    HB2  HIS  11           HB2      HIS  11  48.319  13.648  -5.175
   88    HB3  HIS  11           HB1      HIS  11  47.499  14.097  -3.660
   89    HD1  HIS  11           HD1      HIS  11  46.606  16.409  -3.992
   90    HD2  HIS  11           HD2      HIS  11  50.556  16.011  -5.380
   91    HE1  HIS  11           HE1      HIS  11  47.377  18.719  -4.768
   92    H    GLY  12           HN       GLY  12  49.516  12.814  -1.138
   93    HA2  GLY  12           HA1      GLY  12  50.525  13.986   0.827
   94    HA3  GLY  12           HA2      GLY  12  49.855  15.504   0.204
   95    H    GLY  13           HN       GLY  13  48.548  12.190   0.706
   96    HA2  GLY  13           HA1      GLY  13  46.495  11.567   1.611
   97    HA3  GLY  13           HA2      GLY  13  47.024  12.584   2.965
   98    H    ARG  14           HN       ARG  14  45.673  12.973  -0.334
   99    HA   ARG  14           HA       ARG  14  43.608  14.826   0.830
  100    HB2  ARG  14           HB2      ARG  14  45.567  16.020  -0.346
  101    HB3  ARG  14           HB1      ARG  14  44.983  15.284  -1.850
  102    HG2  ARG  14           HG2      ARG  14  43.006  16.815  -0.115
  103    HG3  ARG  14           HG1      ARG  14  44.162  17.727  -1.103
  104    HD2  ARG  14           HD2      ARG  14  42.142  15.672  -2.118
  105    HD3  ARG  14           HD1      ARG  14  42.094  17.430  -2.357
  106    HE   ARG  14           HE       ARG  14  44.574  16.332  -3.363
  107   HH11  ARG  14          HH11      ARG  14  44.643  15.613  -5.543
  108   HH12  ARG  14          HH12      ARG  14  43.308  15.997  -6.577
  109   HH21  ARG  14          HH21      ARG  14  41.356  17.292  -4.022
  110   HH22  ARG  14          HH22      ARG  14  41.448  16.945  -5.716
  111    H    PHE  15           HN       PHE  15  44.636  13.137  -2.178
  112    HA   PHE  15           HA       PHE  15  42.011  12.930  -3.251
  113    HB2  PHE  15           HB2      PHE  15  44.304  12.488  -4.382
  114    HB3  PHE  15           HB1      PHE  15  44.177  10.850  -3.709
  115    HD1  PHE  15           HD1      PHE  15  41.963   9.540  -4.179
  116    HD2  PHE  15           HD2      PHE  15  43.213  13.009  -6.426
  117    HE1  PHE  15           HE1      PHE  15  40.455   8.874  -6.045
  118    HE2  PHE  15           HE2      PHE  15  41.702  12.342  -8.291
  119    HZ   PHE  15           HZ       PHE  15  40.311  10.285  -8.095
  120    H    ILE  16           HN       ILE  16  43.854  10.068  -2.122
  121    HA   ILE  16           HA       ILE  16  41.317   8.787  -1.309
  122    HB   ILE  16           HB       ILE  16  42.866   6.897  -0.606
  123   HG12  ILE  16          HG12      ILE  16  44.986   8.664  -1.921
  124   HG13  ILE  16          HG11      ILE  16  44.858   8.372  -0.173
  125   HG21  ILE  16          HG21      ILE  16  43.251   6.143  -2.847
  126   HG22  ILE  16          HG22      ILE  16  43.404   7.805  -3.463
  127   HG23  ILE  16          HG23      ILE  16  41.819   7.190  -2.941
  128   HD11  ILE  16           HD1      ILE  16  44.978   5.844  -0.780
  129   HD12  ILE  16           HD2      ILE  16  46.475   6.797  -0.907
  130   HD13  ILE  16           HD3      ILE  16  45.549   6.397  -2.373
  131    H    HIS  17           HN       HIS  17  41.524  11.068   0.086
  132    HA   HIS  17           HA       HIS  17  42.136  10.066   2.862
  133    HB2  HIS  17           HB2      HIS  17  44.042  11.485   2.045
  134    HB3  HIS  17           HB1      HIS  17  42.892  12.828   1.840
  135    HD1  HIS  17           HD1      HIS  17  43.096  14.397   3.764
  136    HD2  HIS  17           HD2      HIS  17  43.461  10.380   4.962
  137    HE1  HIS  17           HE1      HIS  17  43.347  14.381   6.308
  138    H    GLY  18           HN       GLY  18  40.955  13.064   1.208
  139    HA2  GLY  18           HA1      GLY  18  39.009  13.639   3.230
  140    HA3  GLY  18           HA2      GLY  18  38.972  14.220   1.544
  141    H    MET  19           HN       MET  19  38.655  12.372  -0.029
  142    HA   MET  19           HA       MET  19  37.408  10.048   0.426
  143    HB2  MET  19           HB2      MET  19  35.469  11.976   1.248
  144    HB3  MET  19           HB1      MET  19  34.906  11.366  -0.315
  145    HG2  MET  19           HG2      MET  19  33.984  10.008   1.507
  146    HG3  MET  19           HG1      MET  19  35.097   9.038   0.518
  147    HE1  MET  19           HE1      MET  19  34.105   8.118   3.187
  148    HE2  MET  19           HE2      MET  19  35.542   7.614   4.108
  149    HE3  MET  19           HE3      MET  19  35.398   7.195   2.384
  150    H    ILE  20           HN       ILE  20  38.811   9.748  -1.259
  151    HA   ILE  20           HA       ILE  20  39.274   9.524  -3.523
  152    HB   ILE  20           HB       ILE  20  36.433  10.374  -4.218
  153   HG12  ILE  20          HG12      ILE  20  37.373   7.651  -3.191
  154   HG13  ILE  20          HG11      ILE  20  36.197   8.724  -2.404
  155   HG21  ILE  20          HG21      ILE  20  38.136   8.171  -5.457
  156   HG22  ILE  20          HG22      ILE  20  38.299   9.864  -5.965
  157   HG23  ILE  20          HG23      ILE  20  36.746   9.027  -6.163
  158   HD11  ILE  20           HD1      ILE  20  34.863   7.116  -3.533
  159   HD12  ILE  20           HD2      ILE  20  35.885   7.164  -4.988
  160   HD13  ILE  20           HD3      ILE  20  34.827   8.542  -4.597
  161    H    GLN  21           HN       GLN  21  38.966  11.945  -1.790
  162    HA   GLN  21           HA       GLN  21  40.132  14.028  -2.165
  163    HB2  GLN  21           HB2      GLN  21  40.287  15.163  -4.215
  164    HB3  GLN  21           HB1      GLN  21  40.305  13.477  -4.746
  165    HG2  GLN  21           HG2      GLN  21  37.595  13.931  -4.831
  166    HG3  GLN  21           HG1      GLN  21  38.173  15.588  -5.090
  167   HE21  GLN  21          HE21      GLN  21  37.689  12.481  -6.590
  168   HE22  GLN  21          HE22      GLN  21  38.450  12.882  -8.133
  169    H    ASN  22           HN       ASN  22  37.622  12.897  -1.243
  170    HA   ASN  22           HA       ASN  22  35.569  13.559  -0.465
  171    HB2  ASN  22           HB2      ASN  22  36.875  15.001   0.888
  172    HB3  ASN  22           HB1      ASN  22  37.036  16.204  -0.425
  173   HD21  ASN  22          HD21      ASN  22  36.017  17.732   1.247
  174   HD22  ASN  22          HD22      ASN  22  34.256  17.725   1.387
  175    H    HIS  23           HN       HIS  23  35.859  13.164  -3.167
  176    HA   HIS  23           HA       HIS  23  34.879  13.695  -5.226
  177    HB2  HIS  23           HB2      HIS  23  32.970  12.906  -3.734
  178    HB3  HIS  23           HB1      HIS  23  32.550  14.619  -3.502
  179    HD1  HIS  23           HD1      HIS  23  31.130  15.703  -5.269
  180    HD2  HIS  23           HD2      HIS  23  32.817  12.075  -6.563
  181    HE1  HIS  23           HE1      HIS  23  30.175  15.201  -7.585
  182    H    HIS  24           HN       HIS  24  36.421  15.882  -3.959
  183    HA   HIS  24           HA       HIS  24  35.603  17.989  -5.783
  184    HB2  HIS  24           HB2      HIS  24  33.961  18.292  -3.888
  185    HB3  HIS  24           HB1      HIS  24  35.344  18.607  -2.815
  186    HD1  HIS  24           HD1      HIS  24  35.422  19.791  -6.397
  187    HD2  HIS  24           HD2      HIS  24  34.558  21.371  -2.597
  188    HE1  HIS  24           HE1      HIS  24  35.368  22.335  -6.624
  Start of MODEL    4
    1    H1   PHE   1           HT1      PHE   1  49.219   6.837   2.408
    2    H2   PHE   1           HT2      PHE   1  49.237   8.431   2.996
    3    H3   PHE   1           HT3      PHE   1  48.108   7.311   3.598
    4    HA   PHE   1           HA       PHE   1  50.811   7.792   4.353
    5    HB2  PHE   1           HB2      PHE   1  48.568   6.157   5.604
    6    HB3  PHE   1           HB1      PHE   1  50.038   6.740   6.420
    7    HD1  PHE   1           HD1      PHE   1  46.744   7.679   5.045
    8    HD2  PHE   1           HD2      PHE   1  50.364   9.148   6.878
    9    HE1  PHE   1           HE1      PHE   1  45.618   9.848   5.528
   10    HE2  PHE   1           HE2      PHE   1  49.239  11.318   7.360
   11    HZ   PHE   1           HZ       PHE   1  46.889  11.693   6.618
   12    H    LEU   2           HN       LEU   2  50.925   6.284   2.026
   13    HA   LEU   2           HA       LEU   2  51.116   3.438   2.669
   14    HB2  LEU   2           HB2      LEU   2  52.420   4.822   0.302
   15    HB3  LEU   2           HB1      LEU   2  51.797   3.158   0.415
   16    HG   LEU   2           HG       LEU   2  50.145   5.723   0.443
   17   HD11  LEU   2          HD11      LEU   2  50.287   3.414  -1.547
   18   HD12  LEU   2          HD12      LEU   2  51.042   5.010  -1.777
   19   HD13  LEU   2          HD13      LEU   2  49.269   4.868  -1.690
   20   HD21  LEU   2          HD21      LEU   2  49.019   4.191   1.900
   21   HD22  LEU   2          HD22      LEU   2  49.411   2.796   0.866
   22   HD23  LEU   2          HD23      LEU   2  48.219   4.003   0.324
   23    H    GLY   3           HN       GLY   3  53.456   6.100   2.115
   24    HA2  GLY   3           HA1      GLY   3  55.591   6.357   2.999
   25    HA3  GLY   3           HA2      GLY   3  55.328   4.913   3.996
   26    H    ALA   4           HN       ALA   4  54.986   5.011   0.477
   27    HA   ALA   4           HA       ALA   4  57.652   4.061  -0.100
   28    HB1  ALA   4           HB1      ALA   4  55.452   1.965  -0.036
   29    HB2  ALA   4           HB2      ALA   4  56.846   2.050   1.069
   30    HB3  ALA   4           HB3      ALA   4  57.100   1.731  -0.663
   31    H    LEU   5           HN       LEU   5  56.108   6.071  -1.164
   32    HA   LEU   5           HA       LEU   5  56.039   5.258  -3.967
   33    HB2  LEU   5           HB2      LEU   5  53.765   4.532  -2.895
   34    HB3  LEU   5           HB1      LEU   5  53.405   6.270  -2.844
   35    HG   LEU   5           HG       LEU   5  54.154   6.196  -5.413
   36   HD11  LEU   5          HD11      LEU   5  54.899   3.850  -5.440
   37   HD12  LEU   5          HD12      LEU   5  53.469   4.037  -6.477
   38   HD13  LEU   5          HD13      LEU   5  53.304   3.314  -4.862
   39   HD21  LEU   5          HD21      LEU   5  51.902   6.815  -4.703
   40   HD22  LEU   5          HD22      LEU   5  51.502   5.115  -4.359
   41   HD23  LEU   5          HD23      LEU   5  51.776   5.644  -6.037
   42    H    ILE   6           HN       ILE   6  56.210   7.470  -1.417
   43    HA   ILE   6           HA       ILE   6  56.417   9.810  -1.307
   44    HB   ILE   6           HB       ILE   6  57.542   9.785  -4.151
   45   HG12  ILE   6          HG12      ILE   6  58.825   8.461  -1.715
   46   HG13  ILE   6          HG11      ILE   6  58.345   7.659  -3.228
   47   HG21  ILE   6          HG21      ILE   6  59.033  11.420  -3.284
   48   HG22  ILE   6          HG22      ILE   6  58.765  10.911  -1.599
   49   HG23  ILE   6          HG23      ILE   6  57.493  11.789  -2.477
   50   HD11  ILE   6           HD1      ILE   6  60.572   9.683  -2.800
   51   HD12  ILE   6           HD2      ILE   6  59.937   9.305  -4.420
   52   HD13  ILE   6           HD3      ILE   6  60.694   8.028  -3.440
   53    H    LYS   7           HN       LYS   7  56.522  11.433  -3.952
   54    HA   LYS   7           HA       LYS   7  54.913  12.919  -4.757
   55    HB2  LYS   7           HB2      LYS   7  53.119  10.433  -4.783
   56    HB3  LYS   7           HB1      LYS   7  52.736  11.980  -5.575
   57    HG2  LYS   7           HG2      LYS   7  54.790  11.749  -6.974
   58    HG3  LYS   7           HG1      LYS   7  55.102  10.166  -6.220
   59    HD2  LYS   7           HD2      LYS   7  52.947   9.316  -7.061
   60    HD3  LYS   7           HD1      LYS   7  52.586  10.906  -7.777
   61    HE2  LYS   7           HE2      LYS   7  53.468   9.416  -9.513
   62    HE3  LYS   7           HE1      LYS   7  54.652  10.702  -9.179
   63    HZ1  LYS   7           HZ1      LYS   7  56.002   9.251  -7.992
   64    HZ2  LYS   7           HZ2      LYS   7  55.475   8.295  -9.294
   65    HZ3  LYS   7           HZ3      LYS   7  54.771   8.109  -7.759
   66    H    GLY   8           HN       GLY   8  55.557  12.068  -2.269
   67    HA2  GLY   8           HA1      GLY   8  55.082  11.885  -0.108
   68    HA3  GLY   8           HA2      GLY   8  54.457  13.565  -0.344
   69    H    ALA   9           HN       ALA   9  53.658  10.136  -0.290
   70    HA   ALA   9           HA       ALA   9  51.737   9.006   0.260
   71    HB1  ALA   9           HB1      ALA   9  51.893  10.595   2.256
   72    HB2  ALA   9           HB2      ALA   9  50.279   9.933   1.898
   73    HB3  ALA   9           HB3      ALA   9  50.682  11.601   1.427
   74    H    ILE  10           HN       ILE  10  51.542   9.089  -2.140
   75    HA   ILE  10           HA       ILE  10  50.182   9.212  -3.991
   76    HB   ILE  10           HB       ILE  10  48.194   9.726  -1.776
   77   HG12  ILE  10          HG12      ILE  10  48.068   7.905  -4.216
   78   HG13  ILE  10          HG11      ILE  10  48.899   7.460  -2.710
   79   HG21  ILE  10          HG21      ILE  10  47.333  11.421  -3.201
   80   HG22  ILE  10          HG22      ILE  10  46.360   9.984  -3.575
   81   HG23  ILE  10          HG23      ILE  10  47.672  10.476  -4.671
   82   HD11  ILE  10           HD1      ILE  10  46.809   6.525  -2.271
   83   HD12  ILE  10           HD2      ILE  10  45.940   7.717  -3.259
   84   HD13  ILE  10           HD3      ILE  10  46.507   8.155  -1.631
   85    H    HIS  11           HN       HIS  11  49.097  12.066  -2.088
   86    HA   HIS  11           HA       HIS  11  50.561  13.882  -3.862
   87    HB2  HIS  11           HB2      HIS  11  48.529  13.322  -5.223
   88    HB3  HIS  11           HB1      HIS  11  47.513  13.920  -3.888
   89    HD1  HIS  11           HD1      HIS  11  50.661  15.806  -4.233
   90    HD2  HIS  11           HD2      HIS  11  46.817  15.990  -5.929
   91    HE1  HIS  11           HE1      HIS  11  50.399  18.124  -5.276
   92    H    GLY  12           HN       GLY  12  49.557  12.911  -1.003
   93    HA2  GLY  12           HA1      GLY  12  49.990  14.143   1.007
   94    HA3  GLY  12           HA2      GLY  12  49.660  15.668   0.160
   95    H    GLY  13           HN       GLY  13  47.701  12.700   0.110
   96    HA2  GLY  13           HA1      GLY  13  45.540  12.312   0.825
   97    HA3  GLY  13           HA2      GLY  13  45.834  13.493   2.116
   98    H    ARG  14           HN       ARG  14  46.015  14.146  -1.366
   99    HA   ARG  14           HA       ARG  14  43.710  16.063  -1.038
  100    HB2  ARG  14           HB2      ARG  14  45.816  16.030  -3.229
  101    HB3  ARG  14           HB1      ARG  14  44.667  17.330  -2.833
  102    HG2  ARG  14           HG2      ARG  14  46.962  16.338  -1.081
  103    HG3  ARG  14           HG1      ARG  14  46.877  17.897  -1.933
  104    HD2  ARG  14           HD2      ARG  14  44.661  18.261  -0.572
  105    HD3  ARG  14           HD1      ARG  14  45.283  16.958   0.472
  106    HE   ARG  14           HE       ARG  14  46.911  18.469   1.285
  107   HH11  ARG  14          HH11      ARG  14  45.360  19.634  -1.567
  108   HH12  ARG  14          HH12      ARG  14  46.154  21.173  -1.529
  109   HH21  ARG  14          HH21      ARG  14  47.993  20.453   1.320
  110   HH22  ARG  14          HH22      ARG  14  47.643  21.637   0.105
  111    H    PHE  15           HN       PHE  15  44.892  13.228  -2.725
  112    HA   PHE  15           HA       PHE  15  43.153  13.345  -4.996
  113    HB2  PHE  15           HB2      PHE  15  45.104  11.746  -4.616
  114    HB3  PHE  15           HB1      PHE  15  44.029  10.818  -3.543
  115    HD1  PHE  15           HD1      PHE  15  42.347   9.355  -4.443
  116    HD2  PHE  15           HD2      PHE  15  44.428  12.110  -7.036
  117    HE1  PHE  15           HE1      PHE  15  41.347   8.240  -6.434
  118    HE2  PHE  15           HE2      PHE  15  43.428  10.994  -9.025
  119    HZ   PHE  15           HZ       PHE  15  41.942   9.017  -8.726
  120    H    ILE  16           HN       ILE  16  42.751  12.082  -1.694
  121    HA   ILE  16           HA       ILE  16  39.917  12.527  -1.740
  122    HB   ILE  16           HB       ILE  16  39.871  10.560  -3.203
  123   HG12  ILE  16          HG12      ILE  16  38.879   9.786  -0.420
  124   HG13  ILE  16          HG11      ILE  16  38.076  10.974  -1.469
  125   HG21  ILE  16          HG21      ILE  16  40.907   8.763  -0.991
  126   HG22  ILE  16          HG22      ILE  16  42.071   9.611  -2.032
  127   HG23  ILE  16          HG23      ILE  16  40.882   8.501  -2.747
  128   HD11  ILE  16           HD1      ILE  16  37.041   8.762  -1.755
  129   HD12  ILE  16           HD2      ILE  16  38.625   8.054  -2.152
  130   HD13  ILE  16           HD3      ILE  16  37.879   9.242  -3.249
  131    H    HIS  17           HN       HIS  17  41.051  13.632   0.037
  132    HA   HIS  17           HA       HIS  17  40.482  12.325   2.532
  133    HB2  HIS  17           HB2      HIS  17  42.590  11.105   2.054
  134    HB3  HIS  17           HB1      HIS  17  43.439  12.657   1.866
  135    HD1  HIS  17           HD1      HIS  17  44.930  12.679   3.910
  136    HD2  HIS  17           HD2      HIS  17  40.910  11.847   4.829
  137    HE1  HIS  17           HE1      HIS  17  44.718  12.664   6.457
  138    H    GLY  18           HN       GLY  18  41.476  14.835   0.498
  139    HA2  GLY  18           HA1      GLY  18  40.756  16.851   2.481
  140    HA3  GLY  18           HA2      GLY  18  42.482  16.868   2.059
  141    H    MET  19           HN       MET  19  39.421  16.362   0.289
  142    HA   MET  19           HA       MET  19  39.486  18.794  -1.247
  143    HB2  MET  19           HB2      MET  19  41.453  17.690  -2.146
  144    HB3  MET  19           HB1      MET  19  40.449  16.312  -2.564
  145    HG2  MET  19           HG2      MET  19  39.125  17.692  -4.107
  146    HG3  MET  19           HG1      MET  19  40.026  19.142  -3.607
  147    HE1  MET  19           HE1      MET  19  40.011  19.356  -6.168
  148    HE2  MET  19           HE2      MET  19  41.557  19.067  -7.001
  149    HE3  MET  19           HE3      MET  19  41.513  20.064  -5.527
  150    H    ILE  20           HN       ILE  20  38.938  15.288  -1.869
  151    HA   ILE  20           HA       ILE  20  36.226  15.788  -2.854
  152    HB   ILE  20           HB       ILE  20  37.678  13.287  -1.840
  153   HG12  ILE  20          HG12      ILE  20  37.565  12.573  -4.148
  154   HG13  ILE  20          HG11      ILE  20  36.450  13.894  -4.566
  155   HG21  ILE  20          HG21      ILE  20  35.400  12.940  -1.151
  156   HG22  ILE  20          HG22      ILE  20  35.586  12.060  -2.686
  157   HG23  ILE  20          HG23      ILE  20  34.767  13.641  -2.659
  158   HD11  ILE  20           HD1      ILE  20  38.919  14.219  -5.232
  159   HD12  ILE  20           HD2      ILE  20  39.250  14.420  -3.495
  160   HD13  ILE  20           HD3      ILE  20  38.158  15.552  -4.331
  161    H    GLN  21           HN       GLN  21  37.979  16.084  -0.111
  162    HA   GLN  21           HA       GLN  21  35.621  16.085   1.717
  163    HB2  GLN  21           HB2      GLN  21  37.330  14.304   2.251
  164    HB3  GLN  21           HB1      GLN  21  38.544  15.593   2.432
  165    HG2  GLN  21           HG2      GLN  21  37.265  16.621   4.235
  166    HG3  GLN  21           HG1      GLN  21  35.930  15.468   3.996
  167   HE21  GLN  21          HE21      GLN  21  35.984  13.603   5.260
  168   HE22  GLN  21          HE22      GLN  21  37.431  13.006   6.080
  169    H    ASN  22           HN       ASN  22  38.512  17.749   0.230
  170    HA   ASN  22           HA       ASN  22  37.776  20.122   2.048
  171    HB2  ASN  22           HB2      ASN  22  40.172  19.104   2.171
  172    HB3  ASN  22           HB1      ASN  22  40.422  19.888   0.597
  173   HD21  ASN  22          HD21      ASN  22  41.897  20.708   2.917
  174   HD22  ASN  22          HD22      ASN  22  41.363  22.337   3.344
  175    H    HIS  23           HN       HIS  23  36.615  19.206  -0.607
  176    HA   HIS  23           HA       HIS  23  36.050  20.159  -2.657
  177    HB2  HIS  23           HB2      HIS  23  36.254  22.650  -0.921
  178    HB3  HIS  23           HB1      HIS  23  35.444  22.572  -2.503
  179    HD1  HIS  23           HD1      HIS  23  33.572  20.469  -2.628
  180    HD2  HIS  23           HD2      HIS  23  34.548  22.025   1.155
  181    HE1  HIS  23           HE1      HIS  23  31.683  19.828  -1.031
  182    H    HIS  24           HN       HIS  24  36.582  22.476  -3.966
  183    HA   HIS  24           HA       HIS  24  39.308  21.995  -4.886
  184    HB2  HIS  24           HB2      HIS  24  38.818  23.866  -6.454
  185    HB3  HIS  24           HB1      HIS  24  37.546  22.622  -6.465
  186    HD1  HIS  24           HD1      HIS  24  35.236  23.214  -5.439
  187    HD2  HIS  24           HD2      HIS  24  38.014  26.371  -5.383
  188    HE1  HIS  24           HE1      HIS  24  33.962  25.338  -4.813
  Start of MODEL    5
    1    H1   PHE   1           HT1      PHE   1  59.254   5.453 -14.106
    2    H2   PHE   1           HT2      PHE   1  60.562   5.379 -13.023
    3    H3   PHE   1           HT3      PHE   1  60.301   6.777 -13.952
    4    HA   PHE   1           HA       PHE   1  59.421   7.485 -12.040
    5    HB2  PHE   1           HB2      PHE   1  57.205   5.901 -13.396
    6    HB3  PHE   1           HB1      PHE   1  56.930   7.088 -12.097
    7    HD1  PHE   1           HD1      PHE   1  57.144   9.473 -12.499
    8    HD2  PHE   1           HD2      PHE   1  58.133   6.627 -15.592
    9    HE1  PHE   1           HE1      PHE   1  57.226  11.317 -14.171
   10    HE2  PHE   1           HE2      PHE   1  58.213   8.474 -17.264
   11    HZ   PHE   1           HZ       PHE   1  57.809  10.824 -16.543
   12    H    LEU   2           HN       LEU   2  59.584   7.033  -9.953
   13    HA   LEU   2           HA       LEU   2  59.835   4.324  -9.007
   14    HB2  LEU   2           HB2      LEU   2  59.177   6.743  -7.291
   15    HB3  LEU   2           HB1      LEU   2  60.086   5.282  -6.837
   16    HG   LEU   2           HG       LEU   2  60.960   7.429  -8.823
   17   HD11  LEU   2          HD11      LEU   2  62.730   7.858  -7.174
   18   HD12  LEU   2          HD12      LEU   2  62.112   6.548  -6.138
   19   HD13  LEU   2          HD13      LEU   2  61.135   8.012  -6.399
   20   HD21  LEU   2          HD21      LEU   2  61.817   5.378  -9.696
   21   HD22  LEU   2          HD22      LEU   2  62.134   4.718  -8.073
   22   HD23  LEU   2          HD23      LEU   2  63.150   6.031  -8.718
   23    H    GLY   3           HN       GLY   3  58.349   4.592  -6.533
   24    HA2  GLY   3           HA1      GLY   3  55.572   4.970  -6.931
   25    HA3  GLY   3           HA2      GLY   3  55.937   3.281  -7.333
   26    H    ALA   4           HN       ALA   4  57.936   4.900  -4.999
   27    HA   ALA   4           HA       ALA   4  57.116   2.990  -2.935
   28    HB1  ALA   4           HB1      ALA   4  58.821   4.143  -1.571
   29    HB2  ALA   4           HB2      ALA   4  58.999   5.373  -2.846
   30    HB3  ALA   4           HB3      ALA   4  59.453   3.682  -3.168
   31    H    LEU   5           HN       LEU   5  54.879   4.423  -3.671
   32    HA   LEU   5           HA       LEU   5  53.184   5.751  -2.804
   33    HB2  LEU   5           HB2      LEU   5  54.465   5.330  -0.084
   34    HB3  LEU   5           HB1      LEU   5  52.738   5.485  -0.489
   35    HG   LEU   5           HG       LEU   5  54.583   3.168  -1.224
   36   HD11  LEU   5          HD11      LEU   5  53.111   1.875   0.256
   37   HD12  LEU   5          HD12      LEU   5  52.105   3.313   0.553
   38   HD13  LEU   5          HD13      LEU   5  53.784   3.263   1.145
   39   HD21  LEU   5          HD21      LEU   5  51.711   3.834  -2.002
   40   HD22  LEU   5          HD22      LEU   5  52.337   2.167  -2.033
   41   HD23  LEU   5          HD23      LEU   5  53.072   3.412  -3.068
   42    H    ILE   6           HN       ILE   6  55.881   6.980  -3.468
   43    HA   ILE   6           HA       ILE   6  56.099   9.244  -1.561
   44    HB   ILE   6           HB       ILE   6  57.985   8.147  -3.087
   45   HG12  ILE   6          HG12      ILE   6  58.955  10.657  -3.389
   46   HG13  ILE   6          HG11      ILE   6  57.545  11.066  -2.387
   47   HG21  ILE   6          HG21      ILE   6  56.407   8.800  -5.195
   48   HG22  ILE   6          HG22      ILE   6  58.178   8.734  -5.318
   49   HG23  ILE   6          HG23      ILE   6  57.365  10.297  -5.109
   50   HD11  ILE   6           HD1      ILE   6  59.777   9.106  -1.700
   51   HD12  ILE   6           HD2      ILE   6  58.302   9.317  -0.726
   52   HD13  ILE   6           HD3      ILE   6  59.442  10.670  -0.921
   53    H    LYS   7           HN       LYS   7  56.545  11.245  -3.795
   54    HA   LYS   7           HA       LYS   7  55.179  13.031  -4.419
   55    HB2  LYS   7           HB2      LYS   7  53.132  10.836  -5.055
   56    HB3  LYS   7           HB1      LYS   7  53.033  12.530  -5.592
   57    HG2  LYS   7           HG2      LYS   7  55.107  12.276  -6.885
   58    HG3  LYS   7           HG1      LYS   7  55.291  10.604  -6.300
   59    HD2  LYS   7           HD2      LYS   7  53.038  10.081  -7.336
   60    HD3  LYS   7           HD1      LYS   7  53.063  11.707  -8.064
   61    HE2  LYS   7           HE2      LYS   7  55.231   9.599  -8.465
   62    HE3  LYS   7           HE1      LYS   7  53.918   9.932  -9.619
   63    HZ1  LYS   7           HZ1      LYS   7  56.031  11.824  -8.716
   64    HZ2  LYS   7           HZ2      LYS   7  54.702  12.266  -9.679
   65    HZ3  LYS   7           HZ3      LYS   7  55.850  11.159 -10.266
   66    H    GLY   8           HN       GLY   8  55.506  11.670  -2.103
   67    HA2  GLY   8           HA1      GLY   8  54.826  11.155  -0.058
   68    HA3  GLY   8           HA2      GLY   8  54.348  12.897  -0.018
   69    H    ALA   9           HN       ALA   9  53.298   9.601  -0.696
   70    HA   ALA   9           HA       ALA   9  51.267   8.552  -0.474
   71    HB1  ALA   9           HB1      ALA   9  51.315   9.859   1.742
   72    HB2  ALA   9           HB2      ALA   9  49.726   9.310   1.158
   73    HB3  ALA   9           HB3      ALA   9  50.211  11.010   0.954
   74    H    ILE  10           HN       ILE  10  51.354   9.013  -2.854
   75    HA   ILE  10           HA       ILE  10  50.218   9.532  -4.786
   76    HB   ILE  10           HB       ILE  10  48.029   9.758  -2.717
   77   HG12  ILE  10          HG12      ILE  10  46.926   8.156  -4.251
   78   HG13  ILE  10          HG11      ILE  10  48.252   8.364  -5.418
   79   HG21  ILE  10          HG21      ILE  10  47.829  11.056  -5.454
   80   HG22  ILE  10          HG22      ILE  10  47.359  11.722  -3.868
   81   HG23  ILE  10          HG23      ILE  10  46.396  10.425  -4.609
   82   HD11  ILE  10           HD1      ILE  10  48.402   6.323  -3.849
   83   HD12  ILE  10           HD2      ILE  10  48.751   7.486  -2.548
   84   HD13  ILE  10           HD3      ILE  10  49.845   7.358  -3.946
   85    H    HIS  11           HN       HIS  11  49.005  12.095  -2.564
   86    HA   HIS  11           HA       HIS  11  50.705  14.095  -3.922
   87    HB2  HIS  11           HB2      HIS  11  48.716  13.916  -5.420
   88    HB3  HIS  11           HB1      HIS  11  47.664  14.287  -4.032
   89    HD1  HIS  11           HD1      HIS  11  50.838  15.839  -5.582
   90    HD2  HIS  11           HD2      HIS  11  47.097  16.977  -4.039
   91    HE1  HIS  11           HE1      HIS  11  50.706  18.388  -5.707
   92    H    GLY  12           HN       GLY  12  49.439  12.728  -1.293
   93    HA2  GLY  12           HA1      GLY  12  49.981  13.639   0.894
   94    HA3  GLY  12           HA2      GLY  12  49.630  15.274   0.301
   95    H    GLY  13           HN       GLY  13  47.799  12.197   0.069
   96    HA2  GLY  13           HA1      GLY  13  45.548  11.813   0.511
   97    HA3  GLY  13           HA2      GLY  13  45.947  12.533   2.083
   98    H    ARG  14           HN       ARG  14  45.040  13.392  -1.272
   99    HA   ARG  14           HA       ARG  14  42.963  15.184  -0.293
  100    HB2  ARG  14           HB2      ARG  14  44.881  16.661   0.082
  101    HB3  ARG  14           HB1      ARG  14  45.461  16.374  -1.572
  102    HG2  ARG  14           HG2      ARG  14  44.252  18.554  -1.333
  103    HG3  ARG  14           HG1      ARG  14  43.475  17.473  -2.508
  104    HD2  ARG  14           HD2      ARG  14  41.666  17.004  -1.065
  105    HD3  ARG  14           HD1      ARG  14  42.578  17.461   0.394
  106    HE   ARG  14           HE       ARG  14  41.082  19.276  -1.332
  107   HH11  ARG  14          HH11      ARG  14  42.070  19.167   1.713
  108   HH12  ARG  14          HH12      ARG  14  42.857  20.709   1.779
  109   HH21  ARG  14          HH21      ARG  14  42.831  21.168  -1.658
  110   HH22  ARG  14          HH22      ARG  14  43.287  21.842  -0.128
  111    H    PHE  15           HN       PHE  15  44.788  13.554  -2.729
  112    HA   PHE  15           HA       PHE  15  43.690  14.539  -5.120
  113    HB2  PHE  15           HB2      PHE  15  45.460  12.765  -4.898
  114    HB3  PHE  15           HB1      PHE  15  44.178  11.607  -4.471
  115    HD1  PHE  15           HD1      PHE  15  45.146  14.107  -7.116
  116    HD2  PHE  15           HD2      PHE  15  43.000  10.476  -6.196
  117    HE1  PHE  15           HE1      PHE  15  44.660  13.779  -9.537
  118    HE2  PHE  15           HE2      PHE  15  42.515  10.149  -8.618
  119    HZ   PHE  15           HZ       PHE  15  43.418  11.756 -10.294
  120    H    ILE  16           HN       ILE  16  42.072  13.119  -2.481
  121    HA   ILE  16           HA       ILE  16  39.552  13.008  -4.078
  122    HB   ILE  16           HB       ILE  16  40.269  10.741  -2.166
  123   HG12  ILE  16          HG12      ILE  16  40.585  10.884  -5.200
  124   HG13  ILE  16          HG11      ILE  16  41.888  10.679  -4.008
  125   HG21  ILE  16          HG21      ILE  16  37.842  11.346  -2.783
  126   HG22  ILE  16          HG22      ILE  16  38.341   9.668  -3.101
  127   HG23  ILE  16          HG23      ILE  16  38.245  10.838  -4.439
  128   HD11  ILE  16           HD1      ILE  16  39.705   8.715  -4.776
  129   HD12  ILE  16           HD2      ILE  16  40.590   8.559  -3.238
  130   HD13  ILE  16           HD3      ILE  16  41.467   8.476  -4.784
  131    H    HIS  17           HN       HIS  17  40.443  11.883  -0.772
  132    HA   HIS  17           HA       HIS  17  39.508  14.277   0.529
  133    HB2  HIS  17           HB2      HIS  17  37.305  13.426  -0.326
  134    HB3  HIS  17           HB1      HIS  17  37.566  11.932   0.605
  135    HD1  HIS  17           HD1      HIS  17  38.678  15.274   1.975
  136    HD2  HIS  17           HD2      HIS  17  35.453  12.611   2.420
  137    HE1  HIS  17           HE1      HIS  17  37.374  15.997   4.050
  138    H    GLY  18           HN       GLY  18  41.742  13.397   1.148
  139    HA2  GLY  18           HA1      GLY  18  42.886  12.762   3.118
  140    HA3  GLY  18           HA2      GLY  18  41.404  11.974   3.723
  141    H    MET  19           HN       MET  19  42.662  11.380   0.512
  142    HA   MET  19           HA       MET  19  43.349   9.357  -0.276
  143    HB2  MET  19           HB2      MET  19  45.067   9.816   1.747
  144    HB3  MET  19           HB1      MET  19  44.373   8.259   2.242
  145    HG2  MET  19           HG2      MET  19  45.609   8.793  -0.504
  146    HG3  MET  19           HG1      MET  19  46.492   8.085   0.865
  147    HE1  MET  19           HE1      MET  19  46.685   6.464  -1.559
  148    HE2  MET  19           HE2      MET  19  45.256   7.237  -2.283
  149    HE3  MET  19           HE3      MET  19  45.313   5.468  -2.097
  150    H    ILE  20           HN       ILE  20  41.008   9.823   1.748
  151    HA   ILE  20           HA       ILE  20  39.228   8.574   2.450
  152    HB   ILE  20           HB       ILE  20  40.073   6.431   0.458
  153   HG12  ILE  20          HG12      ILE  20  40.135   8.360  -0.916
  154   HG13  ILE  20          HG11      ILE  20  38.469   7.788  -1.120
  155   HG21  ILE  20          HG21      ILE  20  37.564   6.151   0.301
  156   HG22  ILE  20          HG22      ILE  20  37.399   7.326   1.627
  157   HG23  ILE  20          HG23      ILE  20  38.239   5.785   1.903
  158   HD11  ILE  20           HD1      ILE  20  37.832   9.442   0.771
  159   HD12  ILE  20           HD2      ILE  20  38.303  10.156  -0.781
  160   HD13  ILE  20           HD3      ILE  20  39.457  10.143   0.572
  161    H    GLN  21           HN       GLN  21  42.451   7.849   2.545
  162    HA   GLN  21           HA       GLN  21  41.994   5.981   4.883
  163    HB2  GLN  21           HB2      GLN  21  42.560   4.737   2.637
  164    HB3  GLN  21           HB1      GLN  21  44.197   5.386   2.876
  165    HG2  GLN  21           HG2      GLN  21  44.185   3.217   3.910
  166    HG3  GLN  21           HG1      GLN  21  44.098   4.390   5.245
  167   HE21  GLN  21          HE21      GLN  21  42.554   3.871   6.786
  168   HE22  GLN  21          HE22      GLN  21  41.058   2.995   6.447
  169    H    ASN  22           HN       ASN  22  42.638   8.868   4.634
  170    HA   ASN  22           HA       ASN  22  45.071   8.770   6.312
  171    HB2  ASN  22           HB2      ASN  22  45.861   9.008   3.871
  172    HB3  ASN  22           HB1      ASN  22  45.098  10.617   3.901
  173   HD21  ASN  22          HD21      ASN  22  47.994   8.926   4.580
  174   HD22  ASN  22          HD22      ASN  22  48.751  10.158   5.597
  175    H    HIS  23           HN       HIS  23  43.046  11.155   4.391
  176    HA   HIS  23           HA       HIS  23  42.288  13.283   5.267
  177    HB2  HIS  23           HB2      HIS  23  40.573  11.535   5.917
  178    HB3  HIS  23           HB1      HIS  23  41.329  11.498   7.527
  179    HD1  HIS  23           HD1      HIS  23  41.847  14.375   8.189
  180    HD2  HIS  23           HD2      HIS  23  38.369  13.172   6.152
  181    HE1  HIS  23           HE1      HIS  23  40.081  16.184   8.562
  182    H    HIS  24           HN       HIS  24  44.215  14.370   5.688
  183    HA   HIS  24           HA       HIS  24  44.510  15.114   8.494
  184    HB2  HIS  24           HB2      HIS  24  45.817  13.035   8.534
  185    HB3  HIS  24           HB1      HIS  24  46.771  13.588   7.136
  186    HD1  HIS  24           HD1      HIS  24  48.915  14.710   7.711
  187    HD2  HIS  24           HD2      HIS  24  46.054  15.148  10.762
  188    HE1  HIS  24           HE1      HIS  24  50.041  15.956   9.636
  Start of MODEL    6
    1    H1   PHE   1           HT1      PHE   1  56.410  -2.444   1.434
    2    H2   PHE   1           HT2      PHE   1  57.525  -3.719   1.295
    3    H3   PHE   1           HT3      PHE   1  56.240  -3.583   0.192
    4    HA   PHE   1           HA       PHE   1  58.747  -2.679  -0.171
    5    HB2  PHE   1           HB2      PHE   1  57.080  -3.172  -1.916
    6    HB3  PHE   1           HB1      PHE   1  56.148  -1.731  -1.445
    7    HD1  PHE   1           HD1      PHE   1  59.517  -2.850  -2.675
    8    HD2  PHE   1           HD2      PHE   1  56.717   0.416  -2.318
    9    HE1  PHE   1           HE1      PHE   1  60.961  -1.451  -4.144
   10    HE2  PHE   1           HE2      PHE   1  58.162   1.815  -3.790
   11    HZ   PHE   1           HZ       PHE   1  60.316   0.902  -4.648
   12    H    LEU   2           HN       LEU   2  55.942  -0.440   0.020
   13    HA   LEU   2           HA       LEU   2  57.287   1.309   1.909
   14    HB2  LEU   2           HB2      LEU   2  58.536   1.713  -0.296
   15    HB3  LEU   2           HB1      LEU   2  57.014   2.382  -0.921
   16    HG   LEU   2           HG       LEU   2  57.067   3.879   1.268
   17   HD11  LEU   2          HD11      LEU   2  58.945   2.848   2.423
   18   HD12  LEU   2          HD12      LEU   2  59.461   4.458   1.882
   19   HD13  LEU   2          HD13      LEU   2  59.985   3.013   0.990
   20   HD21  LEU   2          HD21      LEU   2  57.286   4.753  -1.033
   21   HD22  LEU   2          HD22      LEU   2  59.013   4.323  -1.043
   22   HD23  LEU   2          HD23      LEU   2  58.415   5.585   0.062
   23    H    GLY   3           HN       GLY   3  54.868   0.941  -0.678
   24    HA2  GLY   3           HA1      GLY   3  52.578   1.341  -0.572
   25    HA3  GLY   3           HA2      GLY   3  52.752   1.804   1.132
   26    H    ALA   4           HN       ALA   4  54.172   3.951   1.323
   27    HA   ALA   4           HA       ALA   4  52.553   6.063   0.445
   28    HB1  ALA   4           HB1      ALA   4  55.549   6.237   0.889
   29    HB2  ALA   4           HB2      ALA   4  54.352   6.146   2.203
   30    HB3  ALA   4           HB3      ALA   4  54.347   7.533   1.088
   31    H    LEU   5           HN       LEU   5  55.453   4.672  -1.110
   32    HA   LEU   5           HA       LEU   5  56.317   4.994  -3.235
   33    HB2  LEU   5           HB2      LEU   5  53.918   4.040  -3.630
   34    HB3  LEU   5           HB1      LEU   5  53.502   5.692  -4.133
   35    HG   LEU   5           HG       LEU   5  55.677   5.458  -5.671
   36   HD11  LEU   5          HD11      LEU   5  54.865   2.553  -5.189
   37   HD12  LEU   5          HD12      LEU   5  56.442   3.288  -4.820
   38   HD13  LEU   5          HD13      LEU   5  55.922   3.106  -6.508
   39   HD21  LEU   5          HD21      LEU   5  54.253   4.534  -7.490
   40   HD22  LEU   5          HD22      LEU   5  53.376   5.743  -6.523
   41   HD23  LEU   5          HD23      LEU   5  53.059   4.009  -6.278
   42    H    ILE   6           HN       ILE   6  56.196   7.295  -1.432
   43    HA   ILE   6           HA       ILE   6  56.401   9.635  -1.461
   44    HB   ILE   6           HB       ILE   6  57.363   9.456  -4.358
   45   HG12  ILE   6          HG12      ILE   6  58.794   8.278  -1.929
   46   HG13  ILE   6          HG11      ILE   6  58.227   7.386  -3.360
   47   HG21  ILE   6          HG21      ILE   6  58.732  10.724  -1.951
   48   HG22  ILE   6          HG22      ILE   6  57.397  11.550  -2.787
   49   HG23  ILE   6          HG23      ILE   6  58.885  11.147  -3.674
   50   HD11  ILE   6           HD1      ILE   6  59.734   8.956  -4.744
   51   HD12  ILE   6           HD2      ILE   6  60.559   7.749  -3.730
   52   HD13  ILE   6           HD3      ILE   6  60.461   9.443  -3.194
   53    H    LYS   7           HN       LYS   7  56.353  11.114  -4.191
   54    HA   LYS   7           HA       LYS   7  54.694  12.556  -4.983
   55    HB2  LYS   7           HB2      LYS   7  52.682  10.282  -4.670
   56    HB3  LYS   7           HB1      LYS   7  52.632  11.617  -5.840
   57    HG2  LYS   7           HG2      LYS   7  54.633   9.310  -5.802
   58    HG3  LYS   7           HG1      LYS   7  53.299   9.519  -6.955
   59    HD2  LYS   7           HD2      LYS   7  55.749  11.317  -6.644
   60    HD3  LYS   7           HD1      LYS   7  55.378  10.242  -8.006
   61    HE2  LYS   7           HE2      LYS   7  53.154  11.653  -8.188
   62    HE3  LYS   7           HE1      LYS   7  54.064  12.862  -7.248
   63    HZ1  LYS   7           HZ1      LYS   7  54.697  13.449  -9.327
   64    HZ2  LYS   7           HZ2      LYS   7  54.509  11.888  -9.971
   65    HZ3  LYS   7           HZ3      LYS   7  55.884  12.271  -9.049
   66    H    GLY   8           HN       GLY   8  55.505  11.849  -2.500
   67    HA2  GLY   8           HA1      GLY   8  55.163  11.792  -0.301
   68    HA3  GLY   8           HA2      GLY   8  54.548  13.465  -0.598
   69    H    ALA   9           HN       ALA   9  53.679  10.053  -0.381
   70    HA   ALA   9           HA       ALA   9  51.791   8.990   0.368
   71    HB1  ALA   9           HB1      ALA   9  52.053  10.742   2.241
   72    HB2  ALA   9           HB2      ALA   9  50.447  10.006   2.034
   73    HB3  ALA   9           HB3      ALA   9  50.761  11.645   1.416
   74    H    ILE  10           HN       ILE  10  51.496   8.902  -2.003
   75    HA   ILE  10           HA       ILE  10  50.070   8.918  -3.810
   76    HB   ILE  10           HB       ILE  10  48.159   9.729  -1.602
   77   HG12  ILE  10          HG12      ILE  10  46.930   7.759  -2.448
   78   HG13  ILE  10          HG11      ILE  10  48.093   7.606  -3.787
   79   HG21  ILE  10          HG21      ILE  10  47.320  11.276  -3.190
   80   HG22  ILE  10          HG22      ILE  10  46.303   9.831  -3.400
   81   HG23  ILE  10          HG23      ILE  10  47.615  10.169  -4.554
   82   HD11  ILE  10           HD1      ILE  10  49.903   7.119  -2.275
   83   HD12  ILE  10           HD2      ILE  10  48.536   6.099  -1.770
   84   HD13  ILE  10           HD3      ILE  10  48.929   7.577  -0.859
   85    H    HIS  11           HN       HIS  11  49.148  11.951  -2.111
   86    HA   HIS  11           HA       HIS  11  50.608  13.556  -4.100
   87    HB2  HIS  11           HB2      HIS  11  48.416  12.982  -5.233
   88    HB3  HIS  11           HB1      HIS  11  47.579  13.820  -3.906
   89    HD1  HIS  11           HD1      HIS  11  50.054  14.450  -6.746
   90    HD2  HIS  11           HD2      HIS  11  47.634  16.621  -4.076
   91    HE1  HIS  11           HE1      HIS  11  50.104  16.895  -7.488
   92    H    GLY  12           HN       GLY  12  49.594  12.849  -1.109
   93    HA2  GLY  12           HA1      GLY  12  50.592  14.557   0.543
   94    HA3  GLY  12           HA2      GLY  12  49.466  15.720  -0.190
   95    H    GLY  13           HN       GLY  13  48.145  12.608  -0.178
   96    HA2  GLY  13           HA1      GLY  13  46.565  11.575   1.170
   97    HA3  GLY  13           HA2      GLY  13  47.180  12.516   2.544
   98    H    ARG  14           HN       ARG  14  45.420  13.093  -0.525
   99    HA   ARG  14           HA       ARG  14  43.136  14.199   0.930
  100    HB2  ARG  14           HB2      ARG  14  44.623  16.160   0.997
  101    HB3  ARG  14           HB1      ARG  14  44.915  16.027  -0.749
  102    HG2  ARG  14           HG2      ARG  14  43.239  17.792  -0.203
  103    HG3  ARG  14           HG1      ARG  14  42.550  16.511  -1.222
  104    HD2  ARG  14           HD2      ARG  14  41.187  17.346   0.866
  105    HD3  ARG  14           HD1      ARG  14  41.290  15.598   0.557
  106    HE   ARG  14           HE       ARG  14  43.422  16.564   2.307
  107   HH11  ARG  14          HH11      ARG  14  41.109  17.523   3.799
  108   HH12  ARG  14          HH12      ARG  14  40.587  16.130   4.685
  109   HH21  ARG  14          HH21      ARG  14  42.342  13.887   2.705
  110   HH22  ARG  14          HH22      ARG  14  41.285  14.070   4.065
  111    H    PHE  15           HN       PHE  15  44.920  13.635  -2.075
  112    HA   PHE  15           HA       PHE  15  42.478  13.745  -3.727
  113    HB2  PHE  15           HB2      PHE  15  44.822  14.312  -4.550
  114    HB3  PHE  15           HB1      PHE  15  45.208  12.579  -4.421
  115    HD1  PHE  15           HD1      PHE  15  44.881  11.254  -6.351
  116    HD2  PHE  15           HD2      PHE  15  42.511  14.828  -5.827
  117    HE1  PHE  15           HE1      PHE  15  43.823  10.883  -8.575
  118    HE2  PHE  15           HE2      PHE  15  41.453  14.450  -8.048
  119    HZ   PHE  15           HZ       PHE  15  42.161  12.518  -9.451
  120    H    ILE  16           HN       ILE  16  40.994  12.222  -3.236
  121    HA   ILE  16           HA       ILE  16  40.155  10.163  -2.523
  122    HB   ILE  16           HB       ILE  16  40.700   8.268  -4.112
  123   HG12  ILE  16          HG12      ILE  16  42.381  10.400  -5.517
  124   HG13  ILE  16          HG11      ILE  16  43.065   9.039  -4.603
  125   HG21  ILE  16          HG21      ILE  16  40.061  10.902  -5.506
  126   HG22  ILE  16          HG22      ILE  16  38.900  10.023  -4.483
  127   HG23  ILE  16          HG23      ILE  16  39.519   9.274  -5.970
  128   HD11  ILE  16           HD1      ILE  16  41.496   8.987  -7.197
  129   HD12  ILE  16           HD2      ILE  16  41.586   7.540  -6.164
  130   HD13  ILE  16           HD3      ILE  16  43.072   8.252  -6.830
  131    H    HIS  17           HN       HIS  17  41.778  10.689  -0.634
  132    HA   HIS  17           HA       HIS  17  43.131   8.101  -0.054
  133    HB2  HIS  17           HB2      HIS  17  44.899   9.571  -1.014
  134    HB3  HIS  17           HB1      HIS  17  44.529  10.794   0.224
  135    HD1  HIS  17           HD1      HIS  17  46.552   7.793  -0.396
  136    HD2  HIS  17           HD2      HIS  17  44.915   9.688   2.984
  137    HE1  HIS  17           HE1      HIS  17  47.785   6.893   1.655
  138    H    GLY  18           HN       GLY  18  41.742  11.205   0.916
  139    HA2  GLY  18           HA1      GLY  18  42.115  11.109   3.704
  140    HA3  GLY  18           HA2      GLY  18  40.667  11.765   2.891
  141    H    MET  19           HN       MET  19  39.590   9.762   1.684
  142    HA   MET  19           HA       MET  19  39.258   7.307   2.915
  143    HB2  MET  19           HB2      MET  19  38.585   8.462   4.987
  144    HB3  MET  19           HB1      MET  19  37.352   9.334   4.062
  145    HG2  MET  19           HG2      MET  19  35.930   7.493   3.987
  146    HG3  MET  19           HG1      MET  19  37.271   6.325   3.892
  147    HE1  MET  19           HE1      MET  19  34.798   5.673   5.519
  148    HE2  MET  19           HE2      MET  19  35.493   5.065   7.041
  149    HE3  MET  19           HE3      MET  19  36.263   4.662   5.487
  150    H    ILE  20           HN       ILE  20  39.103   9.152   0.544
  151    HA   ILE  20           HA       ILE  20  37.847   9.188  -1.401
  152    HB   ILE  20           HB       ILE  20  36.132   6.879  -0.362
  153   HG12  ILE  20          HG12      ILE  20  38.369   6.071  -0.003
  154   HG13  ILE  20          HG11      ILE  20  37.817   5.353  -1.527
  155   HG21  ILE  20          HG21      ILE  20  36.869   7.968  -3.102
  156   HG22  ILE  20          HG22      ILE  20  35.264   7.749  -2.381
  157   HG23  ILE  20          HG23      ILE  20  36.208   6.332  -2.888
  158   HD11  ILE  20           HD1      ILE  20  40.087   6.128  -1.854
  159   HD12  ILE  20           HD2      ILE  20  39.705   7.725  -1.177
  160   HD13  ILE  20           HD3      ILE  20  39.025   7.236  -2.745
  161    H    GLN  21           HN       GLN  21  36.930   9.400   1.803
  162    HA   GLN  21           HA       GLN  21  34.303  10.792   1.085
  163    HB2  GLN  21           HB2      GLN  21  34.285   8.688   2.616
  164    HB3  GLN  21           HB1      GLN  21  35.043   9.731   3.838
  165    HG2  GLN  21           HG2      GLN  21  32.421  10.390   2.417
  166    HG3  GLN  21           HG1      GLN  21  32.530   9.621   4.017
  167   HE21  GLN  21          HE21      GLN  21  31.457  12.369   3.222
  168   HE22  GLN  21          HE22      GLN  21  32.379  13.495   4.226
  169    H    ASN  22           HN       ASN  22  37.401  10.942   2.879
  170    HA   ASN  22           HA       ASN  22  36.737  13.743   3.735
  171    HB2  ASN  22           HB2      ASN  22  38.921  11.754   4.472
  172    HB3  ASN  22           HB1      ASN  22  39.013  13.473   4.923
  173   HD21  ASN  22          HD21      ASN  22  38.305  13.784   7.027
  174   HD22  ASN  22          HD22      ASN  22  36.963  12.909   7.770
  175    H    HIS  23           HN       HIS  23  38.182  11.914   1.295
  176    HA   HIS  23           HA       HIS  23  40.454  13.377   0.537
  177    HB2  HIS  23           HB2      HIS  23  40.057  12.506  -1.703
  178    HB3  HIS  23           HB1      HIS  23  39.635  11.263  -0.506
  179    HD1  HIS  23           HD1      HIS  23  38.431  11.469  -3.465
  180    HD2  HIS  23           HD2      HIS  23  36.569  12.931   0.006
  181    HE1  HIS  23           HE1      HIS  23  35.917  11.521  -3.911
  182    H    HIS  24           HN       HIS  24  37.239  14.477   0.776
  183    HA   HIS  24           HA       HIS  24  37.413  16.485  -1.369
  184    HB2  HIS  24           HB2      HIS  24  35.453  15.996   0.906
  185    HB3  HIS  24           HB1      HIS  24  35.297  17.351  -0.238
  186    HD1  HIS  24           HD1      HIS  24  35.779  16.281  -2.928
  187    HD2  HIS  24           HD2      HIS  24  33.788  14.001  -0.010
  188    HE1  HIS  24           HE1      HIS  24  34.448  14.474  -4.150
  Start of MODEL    7
    1    H1   PHE   1           HT1      PHE   1  61.669   5.902  -8.732
    2    H2   PHE   1           HT2      PHE   1  60.122   6.408  -9.220
    3    H3   PHE   1           HT3      PHE   1  61.355   6.198 -10.370
    4    HA   PHE   1           HA       PHE   1  59.544   4.417 -10.065
    5    HB2  PHE   1           HB2      PHE   1  61.166   2.722 -10.792
    6    HB3  PHE   1           HB1      PHE   1  61.505   4.281 -11.582
    7    HD1  PHE   1           HD1      PHE   1  63.425   5.673 -10.867
    8    HD2  PHE   1           HD2      PHE   1  62.680   1.797  -9.121
    9    HE1  PHE   1           HE1      PHE   1  65.729   5.659  -9.918
   10    HE2  PHE   1           HE2      PHE   1  64.985   1.782  -8.173
   11    HZ   PHE   1           HZ       PHE   1  66.507   3.716  -8.565
   12    H    LEU   2           HN       LEU   2  60.870   5.476  -7.345
   13    HA   LEU   2           HA       LEU   2  61.465   3.032  -5.909
   14    HB2  LEU   2           HB2      LEU   2  60.482   5.612  -4.647
   15    HB3  LEU   2           HB1      LEU   2  61.599   4.401  -3.977
   16    HG   LEU   2           HG       LEU   2  62.136   6.287  -6.313
   17   HD11  LEU   2          HD11      LEU   2  62.237   7.204  -3.951
   18   HD12  LEU   2          HD12      LEU   2  63.779   7.284  -4.836
   19   HD13  LEU   2          HD13      LEU   2  63.520   6.018  -3.611
   20   HD21  LEU   2          HD21      LEU   2  64.496   5.254  -6.095
   21   HD22  LEU   2          HD22      LEU   2  63.253   4.239  -6.862
   22   HD23  LEU   2          HD23      LEU   2  63.718   3.948  -5.168
   23    H    GLY   3           HN       GLY   3  60.131   1.517  -5.204
   24    HA2  GLY   3           HA1      GLY   3  57.340   1.567  -5.622
   25    HA3  GLY   3           HA2      GLY   3  58.187   0.484  -4.500
   26    H    ALA   4           HN       ALA   4  59.182   3.196  -3.246
   27    HA   ALA   4           HA       ALA   4  57.346   3.159  -1.052
   28    HB1  ALA   4           HB1      ALA   4  59.590   3.954  -0.728
   29    HB2  ALA   4           HB2      ALA   4  58.490   5.321  -0.428
   30    HB3  ALA   4           HB3      ALA   4  59.382   5.214  -1.965
   31    H    LEU   5           HN       LEU   5  55.640   4.442  -0.469
   32    HA   LEU   5           HA       LEU   5  54.159   5.666  -2.663
   33    HB2  LEU   5           HB2      LEU   5  53.543   5.937   0.299
   34    HB3  LEU   5           HB1      LEU   5  52.413   5.977  -1.076
   35    HG   LEU   5           HG       LEU   5  54.029   3.558  -0.148
   36   HD11  LEU   5          HD11      LEU   5  52.157   4.128   1.352
   37   HD12  LEU   5          HD12      LEU   5  51.786   2.651   0.431
   38   HD13  LEU   5          HD13      LEU   5  51.049   4.202  -0.038
   39   HD21  LEU   5          HD21      LEU   5  53.780   3.350  -2.519
   40   HD22  LEU   5          HD22      LEU   5  52.135   4.029  -2.489
   41   HD23  LEU   5          HD23      LEU   5  52.440   2.400  -1.840
   42    H    ILE   6           HN       ILE   6  56.112   7.138  -3.119
   43    HA   ILE   6           HA       ILE   6  56.248   9.514  -1.292
   44    HB   ILE   6           HB       ILE   6  57.986  10.323  -2.858
   45   HG12  ILE   6          HG12      ILE   6  57.226   7.873  -4.522
   46   HG13  ILE   6          HG11      ILE   6  57.000   9.573  -4.990
   47   HG21  ILE   6          HG21      ILE   6  58.449   7.342  -2.460
   48   HG22  ILE   6          HG22      ILE   6  58.464   8.502  -1.109
   49   HG23  ILE   6          HG23      ILE   6  59.649   8.657  -2.427
   50   HD11  ILE   6           HD1      ILE   6  59.576   9.800  -4.652
   51   HD12  ILE   6           HD2      ILE   6  58.998   8.942  -6.100
   52   HD13  ILE   6           HD3      ILE   6  59.591   8.020  -4.699
   53    H    LYS   7           HN       LYS   7  56.761  11.375  -3.568
   54    HA   LYS   7           HA       LYS   7  55.394  13.072  -4.401
   55    HB2  LYS   7           HB2      LYS   7  53.721  10.633  -5.175
   56    HB3  LYS   7           HB1      LYS   7  53.174  12.292  -5.518
   57    HG2  LYS   7           HG2      LYS   7  55.031  12.727  -6.957
   58    HG3  LYS   7           HG1      LYS   7  55.915  11.294  -6.382
   59    HD2  LYS   7           HD2      LYS   7  54.947  10.858  -8.604
   60    HD3  LYS   7           HD1      LYS   7  54.170   9.828  -7.381
   61    HE2  LYS   7           HE2      LYS   7  52.195  11.160  -7.351
   62    HE3  LYS   7           HE1      LYS   7  52.993  12.514  -8.188
   63    HZ1  LYS   7           HZ1      LYS   7  53.342  10.576  -9.967
   64    HZ2  LYS   7           HZ2      LYS   7  51.977  11.587  -9.957
   65    HZ3  LYS   7           HZ3      LYS   7  51.894  10.038  -9.267
   66    H    GLY   8           HN       GLY   8  55.592  11.850  -1.996
   67    HA2  GLY   8           HA1      GLY   8  54.792  11.433   0.023
   68    HA3  GLY   8           HA2      GLY   8  54.234  13.148  -0.079
   69    H    ALA   9           HN       ALA   9  53.385   9.766  -0.636
   70    HA   ALA   9           HA       ALA   9  51.376   8.649  -0.568
   71    HB1  ALA   9           HB1      ALA   9  51.293   9.864   1.670
   72    HB2  ALA   9           HB2      ALA   9  49.723   9.370   0.993
   73    HB3  ALA   9           HB3      ALA   9  50.248  11.067   0.877
   74    H    ILE  10           HN       ILE  10  51.578   9.241  -2.945
   75    HA   ILE  10           HA       ILE  10  50.505   9.757  -4.901
   76    HB   ILE  10           HB       ILE  10  48.228   9.674  -2.948
   77   HG12  ILE  10          HG12      ILE  10  49.159   7.797  -4.482
   78   HG13  ILE  10          HG11      ILE  10  47.398   7.980  -4.362
   79   HG21  ILE  10          HG21      ILE  10  46.579  10.419  -4.774
   80   HG22  ILE  10          HG22      ILE  10  47.963  11.229  -5.544
   81   HG23  ILE  10          HG23      ILE  10  47.451  11.700  -3.905
   82   HD11  ILE  10           HD1      ILE  10  48.433   7.677  -6.734
   83   HD12  ILE  10           HD2      ILE  10  48.962   9.365  -6.576
   84   HD13  ILE  10           HD3      ILE  10  47.231   8.967  -6.517
   85    H    HIS  11           HN       HIS  11  49.087  12.136  -2.589
   86    HA   HIS  11           HA       HIS  11  50.686  14.293  -3.773
   87    HB2  HIS  11           HB2      HIS  11  48.751  13.959  -5.393
   88    HB3  HIS  11           HB1      HIS  11  47.658  14.409  -4.062
   89    HD1  HIS  11           HD1      HIS  11  50.889  15.845  -5.608
   90    HD2  HIS  11           HD2      HIS  11  47.206  17.124  -4.031
   91    HE1  HIS  11           HE1      HIS  11  50.796  18.386  -5.858
   92    H    GLY  12           HN       GLY  12  49.425  12.755  -1.269
   93    HA2  GLY  12           HA1      GLY  12  49.781  13.724   0.954
   94    HA3  GLY  12           HA2      GLY  12  49.134  15.269   0.369
   95    H    GLY  13           HN       GLY  13  47.762  12.092  -0.385
   96    HA2  GLY  13           HA1      GLY  13  45.606  11.310  -0.028
   97    HA3  GLY  13           HA2      GLY  13  45.902  11.780   1.658
   98    H    ARG  14           HN       ARG  14  44.831  13.013  -1.507
   99    HA   ARG  14           HA       ARG  14  42.523  14.282  -0.361
  100    HB2  ARG  14           HB2      ARG  14  44.129  15.917   0.504
  101    HB3  ARG  14           HB1      ARG  14  44.858  16.094  -1.105
  102    HG2  ARG  14           HG2      ARG  14  43.286  17.962  -0.541
  103    HG3  ARG  14           HG1      ARG  14  42.788  17.066  -1.991
  104    HD2  ARG  14           HD2      ARG  14  40.975  17.634  -0.190
  105    HD3  ARG  14           HD1      ARG  14  41.005  15.988  -0.862
  106    HE   ARG  14           HE       ARG  14  42.656  16.158   1.509
  107   HH11  ARG  14          HH11      ARG  14  41.150  16.754   3.432
  108   HH12  ARG  14          HH12      ARG  14  39.761  15.722   3.527
  109   HH21  ARG  14          HH21      ARG  14  40.111  14.508   0.298
  110   HH22  ARG  14          HH22      ARG  14  39.174  14.451   1.754
  111    H    PHE  15           HN       PHE  15  44.787  13.640  -2.905
  112    HA   PHE  15           HA       PHE  15  43.621  14.936  -5.111
  113    HB2  PHE  15           HB2      PHE  15  45.725  13.589  -5.155
  114    HB3  PHE  15           HB1      PHE  15  44.744  12.107  -5.066
  115    HD1  PHE  15           HD1      PHE  15  43.392  11.368  -6.963
  116    HD2  PHE  15           HD2      PHE  15  45.674  15.026  -7.160
  117    HE1  PHE  15           HE1      PHE  15  43.053  11.447  -9.431
  118    HE2  PHE  15           HE2      PHE  15  45.334  15.105  -9.627
  119    HZ   PHE  15           HZ       PHE  15  44.050  13.299 -10.766
  120    H    ILE  16           HN       ILE  16  42.997  11.520  -4.143
  121    HA   ILE  16           HA       ILE  16  40.639  11.412  -5.823
  122    HB   ILE  16           HB       ILE  16  41.841   9.356  -5.413
  123   HG12  ILE  16          HG12      ILE  16  40.030   7.878  -4.675
  124   HG13  ILE  16          HG11      ILE  16  39.193   9.226  -3.882
  125   HG21  ILE  16          HG21      ILE  16  42.534  10.202  -2.986
  126   HG22  ILE  16          HG22      ILE  16  42.407   8.465  -3.333
  127   HG23  ILE  16          HG23      ILE  16  41.088   9.297  -2.478
  128   HD11  ILE  16           HD1      ILE  16  39.864   9.358  -6.843
  129   HD12  ILE  16           HD2      ILE  16  38.603  10.234  -5.941
  130   HD13  ILE  16           HD3      ILE  16  38.412   8.498  -6.277
  131    H    HIS  17           HN       HIS  17  40.863  11.035  -2.199
  132    HA   HIS  17           HA       HIS  17  38.811  13.051  -1.814
  133    HB2  HIS  17           HB2      HIS  17  37.380  11.304  -2.823
  134    HB3  HIS  17           HB1      HIS  17  37.884  10.165  -1.560
  135    HD1  HIS  17           HD1      HIS  17  36.775  10.343   0.734
  136    HD2  HIS  17           HD2      HIS  17  35.718  13.465  -1.874
  137    HE1  HIS  17           HE1      HIS  17  34.911  11.677   1.860
  138    H    GLY  18           HN       GLY  18  41.349  12.469  -0.706
  139    HA2  GLY  18           HA1      GLY  18  41.761  13.108   1.674
  140    HA3  GLY  18           HA2      GLY  18  40.621  11.825   2.145
  141    H    MET  19           HN       MET  19  41.284   9.958   0.295
  142    HA   MET  19           HA       MET  19  43.615   9.083  -0.366
  143    HB2  MET  19           HB2      MET  19  45.027   9.519   1.434
  144    HB3  MET  19           HB1      MET  19  43.783   9.148   2.626
  145    HG2  MET  19           HG2      MET  19  44.114   6.808   2.424
  146    HG3  MET  19           HG1      MET  19  44.907   6.974   0.840
  147    HE1  MET  19           HE1      MET  19  47.108   5.803   1.100
  148    HE2  MET  19           HE2      MET  19  46.241   5.110   2.492
  149    HE3  MET  19           HE3      MET  19  47.929   5.648   2.672
  150    H    ILE  20           HN       ILE  20  42.205   8.073  -1.617
  151    HA   ILE  20           HA       ILE  20  40.922   6.265  -2.298
  152    HB   ILE  20           HB       ILE  20  41.752   4.745   0.217
  153   HG12  ILE  20          HG12      ILE  20  43.344   5.047  -2.376
  154   HG13  ILE  20          HG11      ILE  20  43.787   5.767  -0.815
  155   HG21  ILE  20          HG21      ILE  20  41.403   3.717  -2.635
  156   HG22  ILE  20          HG22      ILE  20  40.026   3.866  -1.523
  157   HG23  ILE  20          HG23      ILE  20  41.380   2.794  -1.114
  158   HD11  ILE  20           HD1      ILE  20  43.680   3.349   0.125
  159   HD12  ILE  20           HD2      ILE  20  45.061   3.766  -0.917
  160   HD13  ILE  20           HD3      ILE  20  43.699   2.832  -1.579
  161    H    GLN  21           HN       GLN  21  40.377   8.405  -0.356
  162    HA   GLN  21           HA       GLN  21  38.298   9.171   0.506
  163    HB2  GLN  21           HB2      GLN  21  37.228   6.968  -0.566
  164    HB3  GLN  21           HB1      GLN  21  37.329   6.347   1.098
  165    HG2  GLN  21           HG2      GLN  21  36.126   8.482   1.838
  166    HG3  GLN  21           HG1      GLN  21  35.827   8.807   0.114
  167   HE21  GLN  21          HE21      GLN  21  33.455   8.575   0.854
  168   HE22  GLN  21          HE22      GLN  21  32.791   6.938   0.890
  169    H    ASN  22           HN       ASN  22  40.840   8.526   1.470
  170    HA   ASN  22           HA       ASN  22  42.030   8.108   3.380
  171    HB2  ASN  22           HB2      ASN  22  41.170   9.347   5.371
  172    HB3  ASN  22           HB1      ASN  22  41.213  10.291   3.853
  173   HD21  ASN  22          HD21      ASN  22  39.197  10.951   2.897
  174   HD22  ASN  22          HD22      ASN  22  37.649  10.701   3.712
  175    H    HIS  23           HN       HIS  23  41.243   5.897   2.680
  176    HA   HIS  23           HA       HIS  23  40.431   4.539   5.242
  177    HB2  HIS  23           HB2      HIS  23  39.060   4.186   2.546
  178    HB3  HIS  23           HB1      HIS  23  38.944   2.994   3.863
  179    HD1  HIS  23           HD1      HIS  23  38.870   5.123   6.231
  180    HD2  HIS  23           HD2      HIS  23  36.373   5.063   2.852
  181    HE1  HIS  23           HE1      HIS  23  36.768   6.455   6.813
  182    H    HIS  24           HN       HIS  24  41.121   2.377   5.405
  183    HA   HIS  24           HA       HIS  24  42.722   0.720   5.128
  184    HB2  HIS  24           HB2      HIS  24  42.390   1.242   2.153
  185    HB3  HIS  24           HB1      HIS  24  42.889  -0.272   2.945
  186    HD1  HIS  24           HD1      HIS  24  40.372   1.027   5.097
  187    HD2  HIS  24           HD2      HIS  24  40.252  -0.817   1.318
  188    HE1  HIS  24           HE1      HIS  24  38.014   0.096   4.777
  Start of MODEL    8
    1    H1   PHE   1           HT1      PHE   1  51.592   1.792  -4.853
    2    H2   PHE   1           HT2      PHE   1  53.139   2.463  -5.059
    3    H3   PHE   1           HT3      PHE   1  52.962   0.922  -4.365
    4    HA   PHE   1           HA       PHE   1  53.132  -0.009  -6.308
    5    HB2  PHE   1           HB2      PHE   1  50.801   1.792  -7.081
    6    HB3  PHE   1           HB1      PHE   1  51.350   0.358  -7.982
    7    HD1  PHE   1           HD1      PHE   1  50.958  -1.898  -7.133
    8    HD2  PHE   1           HD2      PHE   1  49.740   1.565  -4.861
    9    HE1  PHE   1           HE1      PHE   1  49.582  -3.354  -5.651
   10    HE2  PHE   1           HE2      PHE   1  48.366   0.108  -3.379
   11    HZ   PHE   1           HZ       PHE   1  48.332  -2.357  -3.740
   12    H    LEU   2           HN       LEU   2  53.127   3.474  -6.188
   13    HA   LEU   2           HA       LEU   2  53.920   4.155  -8.791
   14    HB2  LEU   2           HB2      LEU   2  53.456   5.713  -6.836
   15    HB3  LEU   2           HB1      LEU   2  55.089   5.337  -6.248
   16    HG   LEU   2           HG       LEU   2  55.949   6.075  -8.565
   17   HD11  LEU   2          HD11      LEU   2  53.039   6.952  -8.744
   18   HD12  LEU   2          HD12      LEU   2  54.037   6.138  -9.970
   19   HD13  LEU   2          HD13      LEU   2  54.314   7.850  -9.598
   20   HD21  LEU   2          HD21      LEU   2  54.556   8.134  -6.793
   21   HD22  LEU   2          HD22      LEU   2  55.886   8.468  -7.928
   22   HD23  LEU   2          HD23      LEU   2  56.168   7.438  -6.502
   23    H    GLY   3           HN       GLY   3  56.272   3.943  -6.095
   24    HA2  GLY   3           HA1      GLY   3  57.976   1.986  -7.100
   25    HA3  GLY   3           HA2      GLY   3  58.456   3.471  -7.946
   26    H    ALA   4           HN       ALA   4  57.169   4.444  -5.074
   27    HA   ALA   4           HA       ALA   4  59.425   3.882  -3.305
   28    HB1  ALA   4           HB1      ALA   4  59.125   6.689  -4.434
   29    HB2  ALA   4           HB2      ALA   4  60.450   5.560  -4.805
   30    HB3  ALA   4           HB3      ALA   4  60.250   6.186  -3.150
   31    H    LEU   5           HN       LEU   5  56.292   4.716  -3.999
   32    HA   LEU   5           HA       LEU   5  54.493   5.413  -2.710
   33    HB2  LEU   5           HB2      LEU   5  56.330   4.164  -0.638
   34    HB3  LEU   5           HB1      LEU   5  54.733   4.806  -0.198
   35    HG   LEU   5           HG       LEU   5  53.689   3.325  -1.923
   36   HD11  LEU   5          HD11      LEU   5  56.590   2.488  -2.303
   37   HD12  LEU   5          HD12      LEU   5  55.394   2.955  -3.536
   38   HD13  LEU   5          HD13      LEU   5  55.250   1.390  -2.708
   39   HD21  LEU   5          HD21      LEU   5  53.869   2.594   0.434
   40   HD22  LEU   5          HD22      LEU   5  55.482   1.913   0.108
   41   HD23  LEU   5          HD23      LEU   5  54.043   1.207  -0.668
   42    H    ILE   6           HN       ILE   6  54.830   7.633  -3.246
   43    HA   ILE   6           HA       ILE   6  55.184   9.289  -0.828
   44    HB   ILE   6           HB       ILE   6  56.902  10.805  -1.938
   45   HG12  ILE   6          HG12      ILE   6  57.242   8.453  -3.853
   46   HG13  ILE   6          HG11      ILE   6  56.490  10.009  -4.274
   47   HG21  ILE   6          HG21      ILE   6  57.464   8.949  -0.252
   48   HG22  ILE   6          HG22      ILE   6  58.806   9.541  -1.256
   49   HG23  ILE   6          HG23      ILE   6  58.020   7.993  -1.647
   50   HD11  ILE   6           HD1      ILE   6  58.708  11.090  -3.452
   51   HD12  ILE   6           HD2      ILE   6  58.741  10.225  -5.007
   52   HD13  ILE   6           HD3      ILE   6  59.385   9.445  -3.544
   53    H    LYS   7           HN       LYS   7  55.479  11.786  -2.199
   54    HA   LYS   7           HA       LYS   7  53.867  13.318  -2.895
   55    HB2  LYS   7           HB2      LYS   7  53.052  11.038  -4.782
   56    HB3  LYS   7           HB1      LYS   7  52.390  12.688  -4.854
   57    HG2  LYS   7           HG2      LYS   7  54.506  13.629  -5.455
   58    HG3  LYS   7           HG1      LYS   7  55.379  12.140  -5.019
   59    HD2  LYS   7           HD2      LYS   7  55.161  12.325  -7.471
   60    HD3  LYS   7           HD1      LYS   7  54.233  10.934  -6.867
   61    HE2  LYS   7           HE2      LYS   7  52.155  12.063  -7.124
   62    HE3  LYS   7           HE1      LYS   7  52.936  13.657  -7.262
   63    HZ1  LYS   7           HZ1      LYS   7  52.456  11.665  -9.281
   64    HZ2  LYS   7           HZ2      LYS   7  54.064  12.212  -9.270
   65    HZ3  LYS   7           HZ3      LYS   7  52.787  13.320  -9.447
   66    H    GLY   8           HN       GLY   8  53.945  11.355  -1.032
   67    HA2  GLY   8           HA1      GLY   8  52.990  10.201   0.545
   68    HA3  GLY   8           HA2      GLY   8  51.753  11.517   0.606
   69    H    ALA   9           HN       ALA   9  52.680   8.720  -1.416
   70    HA   ALA   9           HA       ALA   9  51.451   6.979  -2.299
   71    HB1  ALA   9           HB1      ALA   9  49.332   7.604  -0.227
   72    HB2  ALA   9           HB2      ALA   9  50.850   6.759   0.160
   73    HB3  ALA   9           HB3      ALA   9  49.701   6.041  -0.993
   74    H    ILE  10           HN       ILE  10  50.551  10.120  -2.521
   75    HA   ILE  10           HA       ILE  10  48.785   9.559  -4.791
   76    HB   ILE  10           HB       ILE  10  47.018  11.303  -3.594
   77   HG12  ILE  10          HG12      ILE  10  47.934   9.472  -1.330
   78   HG13  ILE  10          HG11      ILE  10  48.410  11.179  -1.465
   79   HG21  ILE  10          HG21      ILE  10  45.499   9.494  -3.328
   80   HG22  ILE  10          HG22      ILE  10  46.798   8.321  -3.034
   81   HG23  ILE  10          HG23      ILE  10  46.564   9.004  -4.659
   82   HD11  ILE  10           HD1      ILE  10  46.515  11.185  -0.023
   83   HD12  ILE  10           HD2      ILE  10  45.632  10.022  -1.037
   84   HD13  ILE  10           HD3      ILE  10  45.871  11.694  -1.600
   85    H    HIS  11           HN       HIS  11  48.491  12.435  -2.766
   86    HA   HIS  11           HA       HIS  11  50.410  13.933  -4.502
   87    HB2  HIS  11           HB2      HIS  11  48.109  14.057  -5.542
   88    HB3  HIS  11           HB1      HIS  11  47.539  14.839  -4.049
   89    HD1  HIS  11           HD1      HIS  11  51.020  15.740  -4.824
   90    HD2  HIS  11           HD2      HIS  11  47.220  17.128  -5.970
   91    HE1  HIS  11           HE1      HIS  11  51.325  18.088  -5.785
   92    H    GLY  12           HN       GLY  12  50.081  12.988  -1.613
   93    HA2  GLY  12           HA1      GLY  12  50.901  13.919   0.365
   94    HA3  GLY  12           HA2      GLY  12  50.982  15.508  -0.417
   95    H    GLY  13           HN       GLY  13  48.335  13.171   0.252
   96    HA2  GLY  13           HA1      GLY  13  46.272  13.510   1.239
   97    HA3  GLY  13           HA2      GLY  13  47.123  14.602   2.350
   98    H    ARG  14           HN       ARG  14  45.644  14.435  -0.903
   99    HA   ARG  14           HA       ARG  14  44.196  16.900  -0.434
  100    HB2  ARG  14           HB2      ARG  14  46.483  17.814  -0.884
  101    HB3  ARG  14           HB1      ARG  14  46.461  17.012  -2.469
  102    HG2  ARG  14           HG2      ARG  14  45.809  19.359  -2.734
  103    HG3  ARG  14           HG1      ARG  14  44.409  18.321  -3.074
  104    HD2  ARG  14           HD2      ARG  14  43.296  18.957  -1.107
  105    HD3  ARG  14           HD1      ARG  14  44.806  19.359  -0.253
  106    HE   ARG  14           HE       ARG  14  44.607  21.188  -2.383
  107   HH11  ARG  14          HH11      ARG  14  44.177  21.164   0.844
  108   HH12  ARG  14          HH12      ARG  14  42.875  22.305   0.907
  109   HH21  ARG  14          HH21      ARG  14  42.321  22.265  -2.515
  110   HH22  ARG  14          HH22      ARG  14  41.825  22.928  -0.994
  111    H    PHE  15           HN       PHE  15  45.377  14.352  -2.547
  112    HA   PHE  15           HA       PHE  15  43.452  14.876  -4.680
  113    HB2  PHE  15           HB2      PHE  15  45.643  13.643  -4.961
  114    HB3  PHE  15           HB1      PHE  15  44.924  12.288  -4.061
  115    HD1  PHE  15           HD1      PHE  15  43.154  10.915  -5.032
  116    HD2  PHE  15           HD2      PHE  15  44.780  14.283  -7.188
  117    HE1  PHE  15           HE1      PHE  15  42.049  10.115  -7.117
  118    HE2  PHE  15           HE2      PHE  15  43.675  13.481  -9.273
  119    HZ   PHE  15           HZ       PHE  15  42.277  11.419  -9.228
  120    H    ILE  16           HN       ILE  16  43.461  13.198  -1.630
  121    HA   ILE  16           HA       ILE  16  40.611  12.807  -1.731
  122    HB   ILE  16           HB       ILE  16  41.051  10.956  -3.202
  123   HG12  ILE  16          HG12      ILE  16  40.777   9.495  -0.550
  124   HG13  ILE  16          HG11      ILE  16  39.535  10.679  -1.013
  125   HG21  ILE  16          HG21      ILE  16  43.021   9.856  -1.148
  126   HG22  ILE  16          HG22      ILE  16  43.488  10.744  -2.615
  127   HG23  ILE  16          HG23      ILE  16  42.642   9.186  -2.750
  128   HD11  ILE  16           HD1      ILE  16  40.439   8.299  -2.695
  129   HD12  ILE  16           HD2      ILE  16  39.188   9.479  -3.152
  130   HD13  ILE  16           HD3      ILE  16  38.928   8.400  -1.760
  131    H    HIS  17           HN       HIS  17  41.446  14.180   0.076
  132    HA   HIS  17           HA       HIS  17  41.202  12.700   2.539
  133    HB2  HIS  17           HB2      HIS  17  43.593  12.159   1.974
  134    HB3  HIS  17           HB1      HIS  17  43.951  13.902   2.014
  135    HD1  HIS  17           HD1      HIS  17  41.756  11.810   4.377
  136    HD2  HIS  17           HD2      HIS  17  45.146  14.296   4.476
  137    HE1  HIS  17           HE1      HIS  17  42.459  12.041   6.822
  138    H    GLY  18           HN       GLY  18  41.691  15.515   0.626
  139    HA2  GLY  18           HA1      GLY  18  40.372  17.169   2.674
  140    HA3  GLY  18           HA2      GLY  18  42.029  17.657   2.266
  141    H    MET  19           HN       MET  19  39.280  16.384   0.375
  142    HA   MET  19           HA       MET  19  38.688  18.842  -1.028
  143    HB2  MET  19           HB2      MET  19  40.891  18.333  -1.901
  144    HB3  MET  19           HB1      MET  19  40.295  16.759  -2.405
  145    HG2  MET  19           HG2      MET  19  38.659  17.847  -3.918
  146    HG3  MET  19           HG1      MET  19  39.232  19.443  -3.380
  147    HE1  MET  19           HE1      MET  19  40.325  18.696  -7.137
  148    HE2  MET  19           HE2      MET  19  38.924  19.056  -6.100
  149    HE3  MET  19           HE3      MET  19  39.368  17.366  -6.440
  150    H    ILE  20           HN       ILE  20  39.106  15.380  -1.918
  151    HA   ILE  20           HA       ILE  20  36.341  15.194  -2.863
  152    HB   ILE  20           HB       ILE  20  38.106  12.928  -1.804
  153   HG12  ILE  20          HG12      ILE  20  39.467  13.913  -3.484
  154   HG13  ILE  20          HG11      ILE  20  38.624  12.612  -4.341
  155   HG21  ILE  20          HG21      ILE  20  35.650  13.060  -3.598
  156   HG22  ILE  20          HG22      ILE  20  35.854  12.193  -2.063
  157   HG23  ILE  20          HG23      ILE  20  36.696  11.623  -3.519
  158   HD11  ILE  20           HD1      ILE  20  38.059  15.605  -4.431
  159   HD12  ILE  20           HD2      ILE  20  36.893  14.403  -5.031
  160   HD13  ILE  20           HD3      ILE  20  38.500  14.526  -5.776
  161    H    GLN  21           HN       GLN  21  37.979  15.752  -0.100
  162    HA   GLN  21           HA       GLN  21  35.769  14.910   1.720
  163    HB2  GLN  21           HB2      GLN  21  37.973  13.847   2.242
  164    HB3  GLN  21           HB1      GLN  21  38.707  15.466   2.342
  165    HG2  GLN  21           HG2      GLN  21  37.267  16.075   4.203
  166    HG3  GLN  21           HG1      GLN  21  36.333  14.569   4.032
  167   HE21  GLN  21          HE21      GLN  21  37.727  15.335   6.480
  168   HE22  GLN  21          HE22      GLN  21  39.005  14.141   6.734
  169    H    ASN  22           HN       ASN  22  37.948  17.517   0.339
  170    HA   ASN  22           HA       ASN  22  36.272  19.459   2.046
  171    HB2  ASN  22           HB2      ASN  22  39.082  19.947   1.012
  172    HB3  ASN  22           HB1      ASN  22  38.113  21.009   2.050
  173   HD21  ASN  22          HD21      ASN  22  37.082  18.273   3.322
  174   HD22  ASN  22          HD22      ASN  22  38.360  17.926   4.491
  175    H    HIS  23           HN       HIS  23  35.486  18.400  -0.537
  176    HA   HIS  23           HA       HIS  23  34.775  19.155  -2.612
  177    HB2  HIS  23           HB2      HIS  23  34.632  21.737  -1.011
  178    HB3  HIS  23           HB1      HIS  23  33.896  21.505  -2.616
  179    HD1  HIS  23           HD1      HIS  23  32.022  19.599  -2.814
  180    HD2  HIS  23           HD2      HIS  23  33.221  20.525   1.106
  181    HE1  HIS  23           HE1      HIS  23  30.243  18.669  -1.233
  182    H    HIS  24           HN       HIS  24  36.212  22.296  -1.809
  183    HA   HIS  24           HA       HIS  24  38.660  21.859  -3.288
  184    HB2  HIS  24           HB2      HIS  24  37.069  21.818  -5.195
  185    HB3  HIS  24           HB1      HIS  24  36.481  23.430  -4.720
  186    HD1  HIS  24           HD1      HIS  24  37.656  25.367  -5.763
  187    HD2  HIS  24           HD2      HIS  24  40.093  21.943  -5.619
  188    HE1  HIS  24           HE1      HIS  24  39.833  25.927  -6.978
  Start of MODEL    9
    1    H1   PHE   1           HT1      PHE   1  53.106   2.965 -12.247
    2    H2   PHE   1           HT2      PHE   1  52.182   3.270 -10.854
    3    H3   PHE   1           HT3      PHE   1  52.163   1.730 -11.571
    4    HA   PHE   1           HA       PHE   1  53.496   1.746  -9.589
    5    HB2  PHE   1           HB2      PHE   1  55.255   1.534 -12.058
    6    HB3  PHE   1           HB1      PHE   1  55.402   0.634 -10.529
    7    HD1  PHE   1           HD1      PHE   1  53.406   1.046 -13.640
    8    HD2  PHE   1           HD2      PHE   1  53.948  -1.253 -10.026
    9    HE1  PHE   1           HE1      PHE   1  51.887  -0.716 -14.532
   10    HE2  PHE   1           HE2      PHE   1  52.428  -3.015 -10.920
   11    HZ   PHE   1           HZ       PHE   1  51.430  -2.765 -13.189
   12    H    LEU   2           HN       LEU   2  53.773   3.652  -8.457
   13    HA   LEU   2           HA       LEU   2  55.344   5.857  -9.480
   14    HB2  LEU   2           HB2      LEU   2  54.320   5.049  -6.739
   15    HB3  LEU   2           HB1      LEU   2  55.394   6.455  -6.933
   16    HG   LEU   2           HG       LEU   2  53.816   7.480  -8.515
   17   HD11  LEU   2          HD11      LEU   2  52.826   5.619  -9.637
   18   HD12  LEU   2          HD12      LEU   2  51.499   6.344  -8.701
   19   HD13  LEU   2          HD13      LEU   2  52.303   4.870  -8.109
   20   HD21  LEU   2          HD21      LEU   2  51.938   7.869  -6.924
   21   HD22  LEU   2          HD22      LEU   2  53.516   7.910  -6.101
   22   HD23  LEU   2          HD23      LEU   2  52.475   6.471  -5.963
   23    H    GLY   3           HN       GLY   3  56.138   2.779  -8.173
   24    HA2  GLY   3           HA1      GLY   3  58.196   1.811  -7.745
   25    HA3  GLY   3           HA2      GLY   3  58.950   3.207  -8.541
   26    H    ALA   4           HN       ALA   4  56.983   4.432  -6.186
   27    HA   ALA   4           HA       ALA   4  58.622   3.956  -3.836
   28    HB1  ALA   4           HB1      ALA   4  58.914   6.646  -5.219
   29    HB2  ALA   4           HB2      ALA   4  60.173   5.391  -5.131
   30    HB3  ALA   4           HB3      ALA   4  59.603   6.188  -3.644
   31    H    LEU   5           HN       LEU   5  57.341   4.235  -2.136
   32    HA   LEU   5           HA       LEU   5  54.700   5.397  -2.480
   33    HB2  LEU   5           HB2      LEU   5  56.272   4.318  -0.118
   34    HB3  LEU   5           HB1      LEU   5  54.681   5.081   0.108
   35    HG   LEU   5           HG       LEU   5  53.671   3.468  -1.473
   36   HD11  LEU   5          HD11      LEU   5  55.172   1.438  -2.077
   37   HD12  LEU   5          HD12      LEU   5  56.548   2.499  -1.688
   38   HD13  LEU   5          HD13      LEU   5  55.423   2.939  -2.995
   39   HD21  LEU   5          HD21      LEU   5  53.777   2.921   0.943
   40   HD22  LEU   5          HD22      LEU   5  55.364   2.152   0.703
   41   HD23  LEU   5          HD23      LEU   5  53.911   1.450  -0.047
   42    H    ILE   6           HN       ILE   6  54.861   7.548  -3.068
   43    HA   ILE   6           HA       ILE   6  55.303   9.399  -0.816
   44    HB   ILE   6           HB       ILE   6  56.933  10.852  -2.133
   45   HG12  ILE   6          HG12      ILE   6  57.228   8.351  -3.859
   46   HG13  ILE   6          HG11      ILE   6  56.435   9.859  -4.372
   47   HG21  ILE   6          HG21      ILE   6  58.896   9.688  -1.442
   48   HG22  ILE   6          HG22      ILE   6  58.130   8.098  -1.664
   49   HG23  ILE   6          HG23      ILE   6  57.618   9.158  -0.327
   50   HD11  ILE   6           HD1      ILE   6  58.645  10.044  -5.225
   51   HD12  ILE   6           HD2      ILE   6  59.367   9.385  -3.739
   52   HD13  ILE   6           HD3      ILE   6  58.675  11.026  -3.741
   53    H    LYS   7           HN       LYS   7  55.469  11.786  -2.352
   54    HA   LYS   7           HA       LYS   7  53.798  13.234  -3.077
   55    HB2  LYS   7           HB2      LYS   7  52.890  10.825  -4.752
   56    HB3  LYS   7           HB1      LYS   7  52.270  12.481  -4.931
   57    HG2  LYS   7           HG2      LYS   7  54.502  13.295  -5.535
   58    HG3  LYS   7           HG1      LYS   7  55.190  11.674  -5.268
   59    HD2  LYS   7           HD2      LYS   7  53.782  10.756  -7.071
   60    HD3  LYS   7           HD1      LYS   7  53.039  12.355  -7.322
   61    HE2  LYS   7           HE2      LYS   7  56.024  11.792  -7.584
   62    HE3  LYS   7           HE1      LYS   7  54.890  11.845  -8.955
   63    HZ1  LYS   7           HZ1      LYS   7  56.221  13.973  -7.976
   64    HZ2  LYS   7           HZ2      LYS   7  54.732  14.119  -7.172
   65    HZ3  LYS   7           HZ3      LYS   7  54.782  14.066  -8.869
   66    H    GLY   8           HN       GLY   8  54.018  11.413  -1.090
   67    HA2  GLY   8           HA1      GLY   8  53.163  10.349   0.614
   68    HA3  GLY   8           HA2      GLY   8  51.911  11.649   0.649
   69    H    ALA   9           HN       ALA   9  52.761   8.776  -1.304
   70    HA   ALA   9           HA       ALA   9  51.510   6.978  -2.025
   71    HB1  ALA   9           HB1      ALA   9  49.891   6.049  -0.554
   72    HB2  ALA   9           HB2      ALA   9  49.540   7.631   0.181
   73    HB3  ALA   9           HB3      ALA   9  51.104   6.836   0.482
   74    H    ILE  10           HN       ILE  10  50.596  10.067  -2.372
   75    HA   ILE  10           HA       ILE  10  48.628   9.381  -4.429
   76    HB   ILE  10           HB       ILE  10  46.974  11.222  -3.202
   77   HG12  ILE  10          HG12      ILE  10  48.038   9.509  -0.913
   78   HG13  ILE  10          HG11      ILE  10  48.556  11.184  -1.198
   79   HG21  ILE  10          HG21      ILE  10  46.414   8.874  -4.092
   80   HG22  ILE  10          HG22      ILE  10  45.467   9.451  -2.707
   81   HG23  ILE  10          HG23      ILE  10  46.775   8.279  -2.456
   82   HD11  ILE  10           HD1      ILE  10  46.045  11.799  -1.148
   83   HD12  ILE  10           HD2      ILE  10  46.788  11.334   0.399
   84   HD13  ILE  10           HD3      ILE  10  45.779  10.168  -0.487
   85    H    HIS  11           HN       HIS  11  48.526  12.387  -2.572
   86    HA   HIS  11           HA       HIS  11  50.332  13.753  -4.504
   87    HB2  HIS  11           HB2      HIS  11  48.055  13.767  -5.550
   88    HB3  HIS  11           HB1      HIS  11  47.441  14.619  -4.113
   89    HD1  HIS  11           HD1      HIS  11  50.852  15.268  -5.682
   90    HD2  HIS  11           HD2      HIS  11  47.100  17.136  -5.321
   91    HE1  HIS  11           HE1      HIS  11  51.100  17.652  -6.569
   92    H    GLY  12           HN       GLY  12  50.266  13.100  -1.594
   93    HA2  GLY  12           HA1      GLY  12  51.125  14.260   0.241
   94    HA3  GLY  12           HA2      GLY  12  50.981  15.783  -0.657
   95    H    GLY  13           HN       GLY  13  48.396  13.413  -0.072
   96    HA2  GLY  13           HA1      GLY  13  46.428  13.601   1.127
   97    HA3  GLY  13           HA2      GLY  13  47.266  14.740   2.200
   98    H    ARG  14           HN       ARG  14  46.558  14.949  -1.299
   99    HA   ARG  14           HA       ARG  14  44.753  17.296  -0.729
  100    HB2  ARG  14           HB2      ARG  14  46.835  17.139  -2.948
  101    HB3  ARG  14           HB1      ARG  14  45.742  18.499  -2.610
  102    HG2  ARG  14           HG2      ARG  14  47.771  17.441  -0.593
  103    HG3  ARG  14           HG1      ARG  14  48.123  18.764  -1.725
  104    HD2  ARG  14           HD2      ARG  14  45.989  19.904  -0.767
  105    HD3  ARG  14           HD1      ARG  14  46.110  18.713   0.550
  106    HE   ARG  14           HE       ARG  14  47.798  21.036   0.219
  107   HH11  ARG  14          HH11      ARG  14  47.224  18.142   1.889
  108   HH12  ARG  14          HH12      ARG  14  48.764  18.105   2.680
  109   HH21  ARG  14          HH21      ARG  14  50.023  20.823   0.934
  110   HH22  ARG  14          HH22      ARG  14  50.350  19.623   2.139
  111    H    PHE  15           HN       PHE  15  45.517  14.397  -2.464
  112    HA   PHE  15           HA       PHE  15  43.780  14.776  -4.723
  113    HB2  PHE  15           HB2      PHE  15  45.547  13.004  -4.512
  114    HB3  PHE  15           HB1      PHE  15  44.501  12.163  -3.341
  115    HD1  PHE  15           HD1      PHE  15  44.405  13.668  -6.799
  116    HD2  PHE  15           HD2      PHE  15  42.916  10.598  -4.152
  117    HE1  PHE  15           HE1      PHE  15  43.144  12.648  -8.689
  118    HE2  PHE  15           HE2      PHE  15  41.657   9.579  -6.044
  119    HZ   PHE  15           HZ       PHE  15  41.792  10.589  -8.318
  120    H    ILE  16           HN       ILE  16  43.249  13.823  -1.378
  121    HA   ILE  16           HA       ILE  16  40.418  14.295  -1.608
  122    HB   ILE  16           HB       ILE  16  40.333  12.163  -2.742
  123   HG12  ILE  16          HG12      ILE  16  39.482  11.296   0.038
  124   HG13  ILE  16          HG11      ILE  16  38.733  12.760  -0.639
  125   HG21  ILE  16          HG21      ILE  16  41.255  10.104  -1.812
  126   HG22  ILE  16          HG22      ILE  16  41.788  10.956  -0.347
  127   HG23  ILE  16          HG23      ILE  16  42.539  11.329  -1.915
  128   HD11  ILE  16           HD1      ILE  16  38.838  10.045  -2.027
  129   HD12  ILE  16           HD2      ILE  16  38.013  11.505  -2.623
  130   HD13  ILE  16           HD3      ILE  16  37.432  10.693  -1.150
  131    H    HIS  17           HN       HIS  17  41.924  15.559  -0.013
  132    HA   HIS  17           HA       HIS  17  41.087  14.717   2.658
  133    HB2  HIS  17           HB2      HIS  17  44.030  14.627   1.879
  134    HB3  HIS  17           HB1      HIS  17  43.492  14.827   3.563
  135    HD1  HIS  17           HD1      HIS  17  41.359  12.905   4.068
  136    HD2  HIS  17           HD2      HIS  17  44.538  11.951   1.486
  137    HE1  HIS  17           HE1      HIS  17  41.449  10.359   3.881
  138    H    GLY  18           HN       GLY  18  42.401  16.825   0.314
  139    HA2  GLY  18           HA1      GLY  18  41.759  19.175   1.997
  140    HA3  GLY  18           HA2      GLY  18  43.439  19.038   1.433
  141    H    MET  19           HN       MET  19  40.223  18.386   0.052
  142    HA   MET  19           HA       MET  19  40.215  20.518  -1.883
  143    HB2  MET  19           HB2      MET  19  42.048  19.191  -2.742
  144    HB3  MET  19           HB1      MET  19  40.974  17.802  -2.811
  145    HG2  MET  19           HG2      MET  19  39.542  18.942  -4.453
  146    HG3  MET  19           HG1      MET  19  40.525  20.416  -4.311
  147    HE1  MET  19           HE1      MET  19  41.239  19.100  -7.891
  148    HE2  MET  19           HE2      MET  19  40.241  20.147  -6.854
  149    HE3  MET  19           HE3      MET  19  39.809  18.433  -7.065
  150    H    ILE  20           HN       ILE  20  39.517  16.997  -1.755
  151    HA   ILE  20           HA       ILE  20  36.737  17.409  -2.604
  152    HB   ILE  20           HB       ILE  20  38.219  15.086  -1.263
  153   HG12  ILE  20          HG12      ILE  20  37.897  13.964  -3.379
  154   HG13  ILE  20          HG11      ILE  20  36.765  15.215  -3.942
  155   HG21  ILE  20          HG21      ILE  20  36.036  13.805  -1.687
  156   HG22  ILE  20          HG22      ILE  20  35.255  15.392  -1.891
  157   HG23  ILE  20          HG23      ILE  20  36.005  14.960  -0.334
  158   HD11  ILE  20           HD1      ILE  20  38.511  16.839  -4.169
  159   HD12  ILE  20           HD2      ILE  20  39.164  15.339  -4.871
  160   HD13  ILE  20           HD3      ILE  20  39.659  15.845  -3.239
  161    H    GLN  21           HN       GLN  21  38.733  18.144  -0.128
  162    HA   GLN  21           HA       GLN  21  36.551  18.589   1.851
  163    HB2  GLN  21           HB2      GLN  21  38.272  16.844   2.539
  164    HB3  GLN  21           HB1      GLN  21  39.507  18.119   2.431
  165    HG2  GLN  21           HG2      GLN  21  38.806  18.003   4.738
  166    HG3  GLN  21           HG1      GLN  21  38.097  19.483   4.054
  167   HE21  GLN  21          HE21      GLN  21  36.433  19.283   5.832
  168   HE22  GLN  21          HE22      GLN  21  35.087  18.164   5.592
  169    H    ASN  22           HN       ASN  22  39.356  19.796  -0.156
  170    HA   ASN  22           HA       ASN  22  38.860  22.503   1.226
  171    HB2  ASN  22           HB2      ASN  22  41.222  21.384   1.342
  172    HB3  ASN  22           HB1      ASN  22  41.360  21.876  -0.360
  173   HD21  ASN  22          HD21      ASN  22  42.880  23.582  -0.122
  174   HD22  ASN  22          HD22      ASN  22  42.531  25.035   0.820
  175    H    HIS  23           HN       HIS  23  37.415  21.179  -1.074
  176    HA   HIS  23           HA       HIS  23  38.019  22.150  -3.582
  177    HB2  HIS  23           HB2      HIS  23  35.997  20.832  -3.023
  178    HB3  HIS  23           HB1      HIS  23  35.278  22.273  -2.264
  179    HD1  HIS  23           HD1      HIS  23  37.332  23.002  -5.261
  180    HD2  HIS  23           HD2      HIS  23  33.295  22.181  -4.418
  181    HE1  HIS  23           HE1      HIS  23  35.978  23.629  -7.335
  182    H    HIS  24           HN       HIS  24  38.292  24.039  -4.575
  183    HA   HIS  24           HA       HIS  24  38.350  26.491  -3.096
  184    HB2  HIS  24           HB2      HIS  24  39.687  26.100  -5.132
  185    HB3  HIS  24           HB1      HIS  24  38.198  26.036  -6.104
  186    HD1  HIS  24           HD1      HIS  24  37.951  28.502  -3.387
  187    HD2  HIS  24           HD2      HIS  24  39.453  28.475  -7.316
  188    HE1  HIS  24           HE1      HIS  24  38.177  30.934  -4.133
  Start of MODEL   10
    1    H1   PHE   1           HT1      PHE   1  50.130   6.379   5.315
    2    H2   PHE   1           HT2      PHE   1  48.635   6.372   6.124
    3    H3   PHE   1           HT3      PHE   1  48.753   7.004   4.551
    4    HA   PHE   1           HA       PHE   1  49.160   4.192   5.345
    5    HB2  PHE   1           HB2      PHE   1  46.943   5.522   3.738
    6    HB3  PHE   1           HB1      PHE   1  47.086   3.784   4.095
    7    HD1  PHE   1           HD1      PHE   1  46.312   7.125   5.476
    8    HD2  PHE   1           HD2      PHE   1  46.741   2.926   6.379
    9    HE1  PHE   1           HE1      PHE   1  45.161   7.477   7.658
   10    HE2  PHE   1           HE2      PHE   1  45.591   3.278   8.562
   11    HZ   PHE   1           HZ       PHE   1  44.863   5.566   9.230
   12    H    LEU   2           HN       LEU   2  49.693   6.778   3.104
   13    HA   LEU   2           HA       LEU   2  50.734   6.830   1.033
   14    HB2  LEU   2           HB2      LEU   2  51.791   4.050   1.648
   15    HB3  LEU   2           HB1      LEU   2  52.550   5.333   0.677
   16    HG   LEU   2           HG       LEU   2  52.056   5.405   3.688
   17   HD11  LEU   2          HD11      LEU   2  54.523   5.348   3.819
   18   HD12  LEU   2          HD12      LEU   2  54.622   5.256   2.044
   19   HD13  LEU   2          HD13      LEU   2  53.906   3.913   2.967
   20   HD21  LEU   2          HD21      LEU   2  51.856   7.661   2.924
   21   HD22  LEU   2          HD22      LEU   2  53.142   7.453   1.711
   22   HD23  LEU   2          HD23      LEU   2  53.549   7.514   3.443
   23    H    GLY   3           HN       GLY   3  51.120   5.438  -1.065
   24    HA2  GLY   3           HA1      GLY   3  49.491   3.237  -1.694
   25    HA3  GLY   3           HA2      GLY   3  48.494   4.678  -1.969
   26    H    ALA   4           HN       ALA   4  51.811   5.305  -2.355
   27    HA   ALA   4           HA       ALA   4  52.081   4.403  -5.107
   28    HB1  ALA   4           HB1      ALA   4  51.714   7.388  -4.713
   29    HB2  ALA   4           HB2      ALA   4  50.423   6.310  -5.297
   30    HB3  ALA   4           HB3      ALA   4  51.918   6.504  -6.243
   31    H    LEU   5           HN       LEU   5  53.316   5.057  -2.236
   32    HA   LEU   5           HA       LEU   5  55.439   5.548  -1.435
   33    HB2  LEU   5           HB2      LEU   5  56.428   4.935  -4.242
   34    HB3  LEU   5           HB1      LEU   5  57.286   4.711  -2.700
   35    HG   LEU   5           HG       LEU   5  54.774   3.203  -3.560
   36   HD11  LEU   5          HD11      LEU   5  56.236   1.300  -3.885
   37   HD12  LEU   5          HD12      LEU   5  57.634   2.197  -3.246
   38   HD13  LEU   5          HD13      LEU   5  56.917   2.662  -4.807
   39   HD21  LEU   5          HD21      LEU   5  56.526   3.144  -1.066
   40   HD22  LEU   5          HD22      LEU   5  55.521   1.752  -1.537
   41   HD23  LEU   5          HD23      LEU   5  54.757   3.314  -1.171
   42    H    ILE   6           HN       ILE   6  55.543   7.670  -0.948
   43    HA   ILE   6           HA       ILE   6  56.121   9.935  -1.166
   44    HB   ILE   6           HB       ILE   6  57.503   9.284  -3.821
   45   HG12  ILE   6          HG12      ILE   6  58.345   7.477  -2.536
   46   HG13  ILE   6          HG11      ILE   6  59.573   8.744  -2.354
   47   HG21  ILE   6          HG21      ILE   6  58.694  11.230  -3.451
   48   HG22  ILE   6          HG22      ILE   6  58.796  10.984  -1.697
   49   HG23  ILE   6          HG23      ILE   6  57.311  11.640  -2.414
   50   HD11  ILE   6           HD1      ILE   6  59.318   8.030  -0.134
   51   HD12  ILE   6           HD2      ILE   6  57.582   7.706  -0.319
   52   HD13  ILE   6           HD3      ILE   6  58.163   9.378  -0.177
   53    H    LYS   7           HN       LYS   7  56.588  11.083  -4.012
   54    HA   LYS   7           HA       LYS   7  55.157  12.471  -5.230
   55    HB2  LYS   7           HB2      LYS   7  52.940  10.393  -4.987
   56    HB3  LYS   7           HB1      LYS   7  53.273  11.501  -6.341
   57    HG2  LYS   7           HG2      LYS   7  55.001   9.129  -5.508
   58    HG3  LYS   7           HG1      LYS   7  53.924   9.189  -6.922
   59    HD2  LYS   7           HD2      LYS   7  55.254  11.212  -7.718
   60    HD3  LYS   7           HD1      LYS   7  56.420  10.860  -6.420
   61    HE2  LYS   7           HE2      LYS   7  55.599   8.927  -8.632
   62    HE3  LYS   7           HE1      LYS   7  57.130   9.833  -8.564
   63    HZ1  LYS   7           HZ1      LYS   7  56.466   7.401  -7.304
   64    HZ2  LYS   7           HZ2      LYS   7  56.797   8.560  -6.106
   65    HZ3  LYS   7           HZ3      LYS   7  57.950   8.223  -7.307
   66    H    GLY   8           HN       GLY   8  55.546  12.052  -2.585
   67    HA2  GLY   8           HA1      GLY   8  54.890  12.287  -0.476
   68    HA3  GLY   8           HA2      GLY   8  54.404  13.925  -1.059
   69    H    ALA   9           HN       ALA   9  53.444  10.886   0.156
   70    HA   ALA   9           HA       ALA   9  51.383   9.838   0.433
   71    HB1  ALA   9           HB1      ALA   9  51.652  11.346   2.361
   72    HB2  ALA   9           HB2      ALA   9  49.938  11.157   1.916
   73    HB3  ALA   9           HB3      ALA   9  50.818  12.638   1.465
   74    H    ILE  10           HN       ILE  10  51.396  10.194  -2.147
   75    HA   ILE  10           HA       ILE  10  50.224  10.869  -4.052
   76    HB   ILE  10           HB       ILE  10  47.625  10.244  -3.710
   77   HG12  ILE  10          HG12      ILE  10  48.982   8.967  -1.283
   78   HG13  ILE  10          HG11      ILE  10  47.776  10.269  -1.215
   79   HG21  ILE  10          HG21      ILE  10  49.389   8.908  -4.949
   80   HG22  ILE  10          HG22      ILE  10  48.164   7.915  -4.137
   81   HG23  ILE  10          HG23      ILE  10  49.778   8.101  -3.412
   82   HD11  ILE  10           HD1      ILE  10  46.442   8.365  -0.875
   83   HD12  ILE  10           HD2      ILE  10  47.400   7.367  -1.991
   84   HD13  ILE  10           HD3      ILE  10  46.287   8.601  -2.631
   85    H    HIS  11           HN       HIS  11  47.300  11.562  -2.279
   86    HA   HIS  11           HA       HIS  11  46.762  13.985  -3.491
   87    HB2  HIS  11           HB2      HIS  11  45.423  14.534  -1.418
   88    HB3  HIS  11           HB1      HIS  11  45.104  12.929  -2.116
   89    HD1  HIS  11           HD1      HIS  11  45.273  10.991  -0.545
   90    HD2  HIS  11           HD2      HIS  11  47.489  14.305   0.793
   91    HE1  HIS  11           HE1      HIS  11  46.194  10.409   1.766
   92    H    GLY  12           HN       GLY  12  49.341  13.373  -1.263
   93    HA2  GLY  12           HA1      GLY  12  49.483  16.132  -0.262
   94    HA3  GLY  12           HA2      GLY  12  50.697  14.855  -0.050
   95    H    GLY  13           HN       GLY  13  49.656  15.132  -3.252
   96    HA2  GLY  13           HA1      GLY  13  51.376  17.305  -4.098
   97    HA3  GLY  13           HA2      GLY  13  52.135  15.722  -4.365
   98    H    ARG  14           HN       ARG  14  48.977  14.989  -4.527
   99    HA   ARG  14           HA       ARG  14  48.864  15.511  -7.497
  100    HB2  ARG  14           HB2      ARG  14  47.498  13.302  -5.910
  101    HB3  ARG  14           HB1      ARG  14  47.550  13.479  -7.678
  102    HG2  ARG  14           HG2      ARG  14  49.916  12.951  -5.827
  103    HG3  ARG  14           HG1      ARG  14  49.219  11.829  -7.017
  104    HD2  ARG  14           HD2      ARG  14  49.759  13.743  -8.759
  105    HD3  ARG  14           HD1      ARG  14  50.870  14.330  -7.494
  106    HE   ARG  14           HE       ARG  14  52.259  12.453  -7.914
  107   HH11  ARG  14          HH11      ARG  14  50.299  10.258  -7.689
  108   HH12  ARG  14          HH12      ARG  14  50.214   9.644  -9.307
  109   HH21  ARG  14          HH21      ARG  14  51.658  12.457 -10.733
  110   HH22  ARG  14          HH22      ARG  14  50.984  10.888 -11.029
  111    H    PHE  15           HN       PHE  15  46.949  15.531  -4.450
  112    HA   PHE  15           HA       PHE  15  44.524  16.394  -5.740
  113    HB2  PHE  15           HB2      PHE  15  44.670  15.656  -3.348
  114    HB3  PHE  15           HB1      PHE  15  45.544  17.161  -2.967
  115    HD1  PHE  15           HD1      PHE  15  42.315  15.763  -4.227
  116    HD2  PHE  15           HD2      PHE  15  44.374  19.260  -2.757
  117    HE1  PHE  15           HE1      PHE  15  40.140  16.962  -4.033
  118    HE2  PHE  15           HE2      PHE  15  42.199  20.459  -2.562
  119    HZ   PHE  15           HZ       PHE  15  40.078  19.293  -3.154
  120    H    ILE  16           HN       ILE  16  45.147  17.819  -7.386
  121    HA   ILE  16           HA       ILE  16  45.977  19.766  -8.326
  122    HB   ILE  16           HB       ILE  16  43.821  20.612  -7.752
  123   HG12  ILE  16          HG12      ILE  16  45.525  22.800  -6.514
  124   HG13  ILE  16          HG11      ILE  16  45.882  22.283  -8.176
  125   HG21  ILE  16          HG21      ILE  16  43.320  21.619  -5.507
  126   HG22  ILE  16          HG22      ILE  16  44.874  21.006  -4.919
  127   HG23  ILE  16          HG23      ILE  16  43.612  19.871  -5.450
  128   HD11  ILE  16           HD1      ILE  16  44.317  24.169  -8.208
  129   HD12  ILE  16           HD2      ILE  16  43.193  23.296  -7.144
  130   HD13  ILE  16           HD3      ILE  16  43.496  22.705  -8.794
  131    H    HIS  17           HN       HIS  17  48.181  19.154  -7.836
  132    HA   HIS  17           HA       HIS  17  49.530  21.325  -6.388
  133    HB2  HIS  17           HB2      HIS  17  49.457  18.507  -5.263
  134    HB3  HIS  17           HB1      HIS  17  50.822  19.597  -4.935
  135    HD1  HIS  17           HD1      HIS  17  48.031  18.496  -3.213
  136    HD2  HIS  17           HD2      HIS  17  49.391  22.358  -4.173
  137    HE1  HIS  17           HE1      HIS  17  46.912  20.124  -1.591
  138    H    GLY  18           HN       GLY  18  49.961  17.947  -7.627
  139    HA2  GLY  18           HA1      GLY  18  52.645  18.276  -8.504
  140    HA3  GLY  18           HA2      GLY  18  51.452  17.176  -9.243
  141    H    MET  19           HN       MET  19  49.589  18.602 -10.222
  142    HA   MET  19           HA       MET  19  49.902  21.022 -11.335
  143    HB2  MET  19           HB2      MET  19  51.827  19.414 -12.703
  144    HB3  MET  19           HB1      MET  19  50.500  19.660 -13.847
  145    HG2  MET  19           HG2      MET  19  52.180  21.437 -14.084
  146    HG3  MET  19           HG1      MET  19  50.634  22.105 -13.512
  147    HE1  MET  19           HE1      MET  19  51.672  24.251 -12.800
  148    HE2  MET  19           HE2      MET  19  53.294  23.743 -13.329
  149    HE3  MET  19           HE3      MET  19  53.065  24.447 -11.710
  150    H    ILE  20           HN       ILE  20  47.806  20.824 -10.662
  151    HA   ILE  20           HA       ILE  20  45.548  20.470 -11.077
  152    HB   ILE  20           HB       ILE  20  46.185  19.599 -13.931
  153   HG12  ILE  20          HG12      ILE  20  46.089  22.443 -12.811
  154   HG13  ILE  20          HG11      ILE  20  47.479  21.656 -13.589
  155   HG21  ILE  20          HG21      ILE  20  43.811  19.554 -12.862
  156   HG22  ILE  20          HG22      ILE  20  43.986  20.393 -14.418
  157   HG23  ILE  20          HG23      ILE  20  43.893  21.328 -12.907
  158   HD11  ILE  20           HD1      ILE  20  44.869  22.546 -14.856
  159   HD12  ILE  20           HD2      ILE  20  45.936  21.364 -15.652
  160   HD13  ILE  20           HD3      ILE  20  46.528  23.005 -15.299
  161    H    GLN  21           HN       GLN  21  47.782  18.619 -10.514
  162    HA   GLN  21           HA       GLN  21  47.604  16.441  -9.525
  163    HB2  GLN  21           HB2      GLN  21  45.057  16.383 -10.214
  164    HB3  GLN  21           HB1      GLN  21  45.639  15.541 -11.671
  165    HG2  GLN  21           HG2      GLN  21  46.901  13.973 -10.019
  166    HG3  GLN  21           HG1      GLN  21  45.855  14.680  -8.764
  167   HE21  GLN  21          HE21      GLN  21  43.474  15.024 -10.441
  168   HE22  GLN  21          HE22      GLN  21  42.865  13.402 -10.786
  169    H    ASN  22           HN       ASN  22  49.068  17.831 -11.535
  170    HA   ASN  22           HA       ASN  22  50.584  17.472 -13.226
  171    HB2  ASN  22           HB2      ASN  22  51.695  16.352 -11.441
  172    HB3  ASN  22           HB1      ASN  22  50.775  14.848 -11.735
  173   HD21  ASN  22          HD21      ASN  22  52.411  13.427 -12.483
  174   HD22  ASN  22          HD22      ASN  22  53.430  13.781 -13.882
  175    H    HIS  23           HN       HIS  23  48.005  17.239 -14.002
  176    HA   HIS  23           HA       HIS  23  46.699  16.391 -15.730
  177    HB2  HIS  23           HB2      HIS  23  48.666  17.084 -17.061
  178    HB3  HIS  23           HB1      HIS  23  49.395  15.478 -16.817
  179    HD1  HIS  23           HD1      HIS  23  45.732  16.297 -17.614
  180    HD2  HIS  23           HD2      HIS  23  49.026  14.300 -19.306
  181    HE1  HIS  23           HE1      HIS  23  44.918  15.160 -19.751
  182    H    HIS  24           HN       HIS  24  48.538  13.846 -16.945
  183    HA   HIS  24           HA       HIS  24  46.628  11.864 -16.184
  184    HB2  HIS  24           HB2      HIS  24  48.284  10.245 -17.067
  185    HB3  HIS  24           HB1      HIS  24  48.078  11.638 -18.156
  186    HD1  HIS  24           HD1      HIS  24  49.853  13.274 -15.707
  187    HD2  HIS  24           HD2      HIS  24  50.978  10.257 -18.410
  188    HE1  HIS  24           HE1      HIS  24  52.400  13.336 -15.899
  Start of MODEL   11
    1    H1   PHE   1           HT1      PHE   1  57.032   1.710   7.443
    2    H2   PHE   1           HT2      PHE   1  55.730   2.542   8.152
    3    H3   PHE   1           HT3      PHE   1  56.283   2.979   6.606
    4    HA   PHE   1           HA       PHE   1  55.665   0.258   6.609
    5    HB2  PHE   1           HB2      PHE   1  54.212   0.986   8.560
    6    HB3  PHE   1           HB1      PHE   1  53.356   2.061   7.430
    7    HD1  PHE   1           HD1      PHE   1  54.298  -1.514   8.059
    8    HD2  PHE   1           HD2      PHE   1  51.688   1.196   5.942
    9    HE1  PHE   1           HE1      PHE   1  52.917  -3.441   7.295
   10    HE2  PHE   1           HE2      PHE   1  50.306  -0.733   5.180
   11    HZ   PHE   1           HZ       PHE   1  50.933  -3.053   5.837
   12    H    LEU   2           HN       LEU   2  55.254   3.608   5.725
   13    HA   LEU   2           HA       LEU   2  54.645   4.609   3.724
   14    HB2  LEU   2           HB2      LEU   2  55.400   2.005   2.358
   15    HB3  LEU   2           HB1      LEU   2  55.579   3.671   1.757
   16    HG   LEU   2           HG       LEU   2  57.116   2.388   4.059
   17   HD11  LEU   2          HD11      LEU   2  58.069   3.494   1.381
   18   HD12  LEU   2          HD12      LEU   2  57.777   1.767   1.704
   19   HD13  LEU   2          HD13      LEU   2  59.047   2.638   2.596
   20   HD21  LEU   2          HD21      LEU   2  57.008   5.245   3.004
   21   HD22  LEU   2          HD22      LEU   2  58.405   4.627   3.918
   22   HD23  LEU   2          HD23      LEU   2  56.799   4.681   4.679
   23    H    GLY   3           HN       GLY   3  53.292   4.363   1.660
   24    HA2  GLY   3           HA1      GLY   3  51.345   2.301   1.433
   25    HA3  GLY   3           HA2      GLY   3  50.659   3.602   2.428
   26    H    ALA   4           HN       ALA   4  53.045   4.441   0.051
   27    HA   ALA   4           HA       ALA   4  51.194   4.869  -2.146
   28    HB1  ALA   4           HB1      ALA   4  52.007   7.264  -0.464
   29    HB2  ALA   4           HB2      ALA   4  50.356   6.652  -0.725
   30    HB3  ALA   4           HB3      ALA   4  51.269   7.359  -2.080
   31    H    LEU   5           HN       LEU   5  54.237   4.884  -0.618
   32    HA   LEU   5           HA       LEU   5  56.391   5.055  -1.442
   33    HB2  LEU   5           HB2      LEU   5  55.376   3.353  -3.050
   34    HB3  LEU   5           HB1      LEU   5  55.137   4.697  -4.186
   35    HG   LEU   5           HG       LEU   5  57.696   5.177  -3.822
   36   HD11  LEU   5          HD11      LEU   5  58.200   3.715  -1.965
   37   HD12  LEU   5          HD12      LEU   5  58.961   2.990  -3.394
   38   HD13  LEU   5          HD13      LEU   5  57.438   2.322  -2.766
   39   HD21  LEU   5          HD21      LEU   5  58.281   3.555  -5.605
   40   HD22  LEU   5          HD22      LEU   5  56.711   4.328  -5.930
   41   HD23  LEU   5          HD23      LEU   5  56.770   2.667  -5.293
   42    H    ILE   6           HN       ILE   6  56.271   7.328  -0.768
   43    HA   ILE   6           HA       ILE   6  56.479   9.635  -1.145
   44    HB   ILE   6           HB       ILE   6  57.749   9.019  -3.857
   45   HG12  ILE   6          HG12      ILE   6  58.889   8.249  -1.132
   46   HG13  ILE   6          HG11      ILE   6  58.500   7.146  -2.471
   47   HG21  ILE   6          HG21      ILE   6  58.833  10.673  -1.541
   48   HG22  ILE   6          HG22      ILE   6  57.614  11.333  -2.656
   49   HG23  ILE   6          HG23      ILE   6  59.198  10.814  -3.277
   50   HD11  ILE   6           HD1      ILE   6  60.857   7.488  -2.619
   51   HD12  ILE   6           HD2      ILE   6  60.701   9.238  -2.338
   52   HD13  ILE   6           HD3      ILE   6  60.163   8.533  -3.882
   53    H    LYS   7           HN       LYS   7  56.735  10.644  -4.077
   54    HA   LYS   7           HA       LYS   7  55.186  11.916  -5.272
   55    HB2  LYS   7           HB2      LYS   7  54.392   9.527  -6.006
   56    HB3  LYS   7           HB1      LYS   7  53.134   9.709  -4.764
   57    HG2  LYS   7           HG2      LYS   7  52.000  10.533  -6.646
   58    HG3  LYS   7           HG1      LYS   7  52.677  12.040  -5.990
   59    HD2  LYS   7           HD2      LYS   7  54.674  11.693  -7.544
   60    HD3  LYS   7           HD1      LYS   7  53.765  10.358  -8.290
   61    HE2  LYS   7           HE2      LYS   7  52.960  13.293  -8.157
   62    HE3  LYS   7           HE1      LYS   7  53.353  12.344  -9.610
   63    HZ1  LYS   7           HZ1      LYS   7  51.057  11.866  -7.774
   64    HZ2  LYS   7           HZ2      LYS   7  51.439  10.928  -9.139
   65    HZ3  LYS   7           HZ3      LYS   7  50.968  12.549  -9.323
   66    H    GLY   8           HN       GLY   8  55.752  11.660  -2.638
   67    HA2  GLY   8           HA1      GLY   8  55.207  11.979  -0.505
   68    HA3  GLY   8           HA2      GLY   8  54.640  13.571  -1.142
   69    H    ALA   9           HN       ALA   9  53.775  10.334  -0.125
   70    HA   ALA   9           HA       ALA   9  51.790   9.412   0.579
   71    HB1  ALA   9           HB1      ALA   9  50.925  12.289   1.027
   72    HB2  ALA   9           HB2      ALA   9  51.928  11.349   2.157
   73    HB3  ALA   9           HB3      ALA   9  50.260  10.835   1.807
   74    H    ILE  10           HN       ILE  10  52.044   9.621  -2.139
   75    HA   ILE  10           HA       ILE  10  50.742   9.282  -3.996
   76    HB   ILE  10           HB       ILE  10  48.834   8.916  -1.913
   77   HG12  ILE  10          HG12      ILE  10  49.348   7.385  -3.824
   78   HG13  ILE  10          HG11      ILE  10  47.608   7.593  -3.534
   79   HG21  ILE  10          HG21      ILE  10  47.591  10.698  -4.060
   80   HG22  ILE  10          HG22      ILE  10  47.836  11.135  -2.356
   81   HG23  ILE  10          HG23      ILE  10  46.728   9.818  -2.783
   82   HD11  ILE  10           HD1      ILE  10  47.289   8.849  -5.492
   83   HD12  ILE  10           HD2      ILE  10  48.580   7.741  -6.012
   84   HD13  ILE  10           HD3      ILE  10  48.978   9.409  -5.539
   85    H    HIS  11           HN       HIS  11  49.730  12.110  -2.051
   86    HA   HIS  11           HA       HIS  11  50.523  13.917  -4.183
   87    HB2  HIS  11           HB2      HIS  11  48.357  13.136  -5.111
   88    HB3  HIS  11           HB1      HIS  11  47.545  13.633  -3.607
   89    HD1  HIS  11           HD1      HIS  11  46.692  15.979  -3.534
   90    HD2  HIS  11           HD2      HIS  11  49.649  15.454  -6.476
   91    HE1  HIS  11           HE1      HIS  11  46.921  18.194  -4.787
   92    H    GLY  12           HN       GLY  12  49.745  13.063  -1.056
   93    HA2  GLY  12           HA1      GLY  12  50.753  14.782   0.560
   94    HA3  GLY  12           HA2      GLY  12  49.575  15.920  -0.125
   95    H    GLY  13           HN       GLY  13  48.887  12.497   0.341
   96    HA2  GLY  13           HA1      GLY  13  47.284  11.463   1.649
   97    HA3  GLY  13           HA2      GLY  13  47.791  12.574   2.940
   98    H    ARG  14           HN       ARG  14  45.708  12.290   0.050
   99    HA   ARG  14           HA       ARG  14  43.522  13.602   1.478
  100    HB2  ARG  14           HB2      ARG  14  45.203  15.447   0.563
  101    HB3  ARG  14           HB1      ARG  14  44.422  15.109  -0.995
  102    HG2  ARG  14           HG2      ARG  14  42.969  15.901   1.577
  103    HG3  ARG  14           HG1      ARG  14  43.325  16.991   0.218
  104    HD2  ARG  14           HD2      ARG  14  42.057  15.207  -1.239
  105    HD3  ARG  14           HD1      ARG  14  41.397  14.657   0.322
  106    HE   ARG  14           HE       ARG  14  41.037  17.444   0.275
  107   HH11  ARG  14          HH11      ARG  14  38.930  18.178  -0.149
  108   HH12  ARG  14          HH12      ARG  14  37.959  17.333  -1.307
  109   HH21  ARG  14          HH21      ARG  14  40.305  14.838  -1.847
  110   HH22  ARG  14          HH22      ARG  14  38.737  15.441  -2.269
  111    H    PHE  15           HN       PHE  15  44.806  12.952  -1.827
  112    HA   PHE  15           HA       PHE  15  42.373  12.556  -3.146
  113    HB2  PHE  15           HB2      PHE  15  44.842  12.425  -4.007
  114    HB3  PHE  15           HB1      PHE  15  44.719  10.692  -3.635
  115    HD1  PHE  15           HD1      PHE  15  43.835   9.246  -5.292
  116    HD2  PHE  15           HD2      PHE  15  42.819  13.442  -5.383
  117    HE1  PHE  15           HE1      PHE  15  42.615   8.906  -7.437
  118    HE2  PHE  15           HE2      PHE  15  41.597  13.099  -7.526
  119    HZ   PHE  15           HZ       PHE  15  41.559  10.846  -8.589
  120    H    ILE  16           HN       ILE  16  44.037  10.432  -0.874
  121    HA   ILE  16           HA       ILE  16  41.580   8.822  -0.603
  122    HB   ILE  16           HB       ILE  16  42.889   6.650  -0.822
  123   HG12  ILE  16          HG12      ILE  16  44.847   8.460  -2.319
  124   HG13  ILE  16          HG11      ILE  16  45.166   7.749  -0.725
  125   HG21  ILE  16          HG21      ILE  16  42.556   6.507  -3.210
  126   HG22  ILE  16          HG22      ILE  16  42.751   8.265  -3.404
  127   HG23  ILE  16          HG23      ILE  16  41.315   7.611  -2.585
  128   HD11  ILE  16           HD1      ILE  16  44.897   6.355  -3.405
  129   HD12  ILE  16           HD2      ILE  16  44.626   5.459  -1.891
  130   HD13  ILE  16           HD3      ILE  16  46.200   6.224  -2.203
  131    H    HIS  17           HN       HIS  17  42.174  10.406   1.250
  132    HA   HIS  17           HA       HIS  17  42.966   8.737   3.489
  133    HB2  HIS  17           HB2      HIS  17  45.229   9.288   2.639
  134    HB3  HIS  17           HB1      HIS  17  44.830  11.021   2.711
  135    HD1  HIS  17           HD1      HIS  17  44.936  12.196   4.966
  136    HD2  HIS  17           HD2      HIS  17  45.521   8.042   5.224
  137    HE1  HIS  17           HE1      HIS  17  45.648  11.674   7.364
  138    H    GLY  18           HN       GLY  18  41.828  11.516   1.923
  139    HA2  GLY  18           HA1      GLY  18  40.481  12.438   4.416
  140    HA3  GLY  18           HA2      GLY  18  41.425  13.615   3.474
  141    H    MET  19           HN       MET  19  39.331  10.883   2.572
  142    HA   MET  19           HA       MET  19  37.120  12.450   1.568
  143    HB2  MET  19           HB2      MET  19  38.834  13.065  -0.015
  144    HB3  MET  19           HB1      MET  19  39.108  11.360  -0.343
  145    HG2  MET  19           HG2      MET  19  36.869  11.104  -1.269
  146    HG3  MET  19           HG1      MET  19  36.432  12.748  -0.752
  147    HE1  MET  19           HE1      MET  19  38.872  11.390  -4.370
  148    HE2  MET  19           HE2      MET  19  37.519  10.562  -3.562
  149    HE3  MET  19           HE3      MET  19  39.090  10.711  -2.740
  150    H    ILE  20           HN       ILE  20  39.067   9.605   0.472
  151    HA   ILE  20           HA       ILE  20  36.644   7.917   0.472
  152    HB   ILE  20           HB       ILE  20  39.585   7.065   0.633
  153   HG12  ILE  20          HG12      ILE  20  39.416   8.342  -1.380
  154   HG13  ILE  20          HG11      ILE  20  39.259   6.655  -1.900
  155   HG21  ILE  20          HG21      ILE  20  38.536   4.962  -0.502
  156   HG22  ILE  20          HG22      ILE  20  36.978   5.606   0.066
  157   HG23  ILE  20          HG23      ILE  20  38.253   5.205   1.235
  158   HD11  ILE  20           HD1      ILE  20  36.692   7.044  -1.728
  159   HD12  ILE  20           HD2      ILE  20  37.550   7.817  -3.077
  160   HD13  ILE  20           HD3      ILE  20  37.095   8.775  -1.649
  161    H    GLN  21           HN       GLN  21  38.464   9.597   2.548
  162    HA   GLN  21           HA       GLN  21  37.713   7.964   4.926
  163    HB2  GLN  21           HB2      GLN  21  40.233   8.210   4.494
  164    HB3  GLN  21           HB1      GLN  21  40.008   9.959   4.739
  165    HG2  GLN  21           HG2      GLN  21  38.991   9.473   6.980
  166    HG3  GLN  21           HG1      GLN  21  39.360   7.748   6.737
  167   HE21  GLN  21          HE21      GLN  21  41.555   7.033   6.964
  168   HE22  GLN  21          HE22      GLN  21  42.838   8.118   7.506
  169    H    ASN  22           HN       ASN  22  37.724  11.086   3.045
  170    HA   ASN  22           HA       ASN  22  36.085  12.227   5.386
  171    HB2  ASN  22           HB2      ASN  22  38.356  13.353   4.728
  172    HB3  ASN  22           HB1      ASN  22  37.456  13.976   3.332
  173   HD21  ASN  22          HD21      ASN  22  35.836  15.602   3.676
  174   HD22  ASN  22          HD22      ASN  22  35.598  16.355   5.256
  175    H    HIS  23           HN       HIS  23  35.129  10.557   3.104
  176    HA   HIS  23           HA       HIS  23  32.866  12.267   2.416
  177    HB2  HIS  23           HB2      HIS  23  34.624  13.050   0.790
  178    HB3  HIS  23           HB1      HIS  23  34.687  11.395   0.138
  179    HD1  HIS  23           HD1      HIS  23  33.052  10.845  -1.673
  180    HD2  HIS  23           HD2      HIS  23  31.894  14.223   0.547
  181    HE1  HIS  23           HE1      HIS  23  30.933  11.777  -2.754
  182    H    HIS  24           HN       HIS  24  31.181  11.120   1.329
  183    HA   HIS  24           HA       HIS  24  31.067   8.338   2.093
  184    HB2  HIS  24           HB2      HIS  24  29.298  10.001   0.258
  185    HB3  HIS  24           HB1      HIS  24  28.912   8.357   0.818
  186    HD1  HIS  24           HD1      HIS  24  27.150   8.602   2.576
  187    HD2  HIS  24           HD2      HIS  24  30.191  11.481   2.969
  188    HE1  HIS  24           HE1      HIS  24  26.688   9.909   4.721
  Start of MODEL   12
    1    H1   PHE   1           HT1      PHE   1  62.471   1.652   2.624
    2    H2   PHE   1           HT2      PHE   1  61.251   0.548   3.051
    3    H3   PHE   1           HT3      PHE   1  62.470   0.948   4.166
    4    HA   PHE   1           HA       PHE   1  60.340   2.016   4.628
    5    HB2  PHE   1           HB2      PHE   1  62.522   3.979   3.834
    6    HB3  PHE   1           HB1      PHE   1  61.308   4.163   5.123
    7    HD1  PHE   1           HD1      PHE   1  64.448   2.490   4.112
    8    HD2  PHE   1           HD2      PHE   1  61.477   2.883   7.219
    9    HE1  PHE   1           HE1      PHE   1  65.976   1.351   5.717
   10    HE2  PHE   1           HE2      PHE   1  63.005   1.743   8.823
   11    HZ   PHE   1           HZ       PHE   1  65.231   0.927   8.057
   12    H    LEU   2           HN       LEU   2  59.142   4.092   4.098
   13    HA   LEU   2           HA       LEU   2  57.734   5.173   2.603
   14    HB2  LEU   2           HB2      LEU   2  59.989   4.984   0.576
   15    HB3  LEU   2           HB1      LEU   2  58.755   6.254   0.744
   16    HG   LEU   2           HG       LEU   2  60.989   5.642   2.731
   17   HD11  LEU   2          HD11      LEU   2  60.490   8.000   0.858
   18   HD12  LEU   2          HD12      LEU   2  61.760   6.766   0.673
   19   HD13  LEU   2          HD13      LEU   2  61.806   7.892   2.052
   20   HD21  LEU   2          HD21      LEU   2  59.132   6.423   4.021
   21   HD22  LEU   2          HD22      LEU   2  58.647   7.591   2.769
   22   HD23  LEU   2          HD23      LEU   2  60.118   7.874   3.730
   23    H    GLY   3           HN       GLY   3  56.688   2.919   2.704
   24    HA2  GLY   3           HA1      GLY   3  56.952   1.189   0.416
   25    HA3  GLY   3           HA2      GLY   3  55.630   1.181   1.599
   26    H    ALA   4           HN       ALA   4  55.127   4.102   1.062
   27    HA   ALA   4           HA       ALA   4  53.182   3.673  -1.073
   28    HB1  ALA   4           HB1      ALA   4  54.033   6.187   0.407
   29    HB2  ALA   4           HB2      ALA   4  52.674   5.116   0.831
   30    HB3  ALA   4           HB3      ALA   4  52.630   6.055  -0.680
   31    H    LEU   5           HN       LEU   5  52.975   5.397  -2.836
   32    HA   LEU   5           HA       LEU   5  55.442   5.291  -4.419
   33    HB2  LEU   5           HB2      LEU   5  52.638   6.371  -4.869
   34    HB3  LEU   5           HB1      LEU   5  53.941   6.669  -6.042
   35    HG   LEU   5           HG       LEU   5  54.282   4.278  -6.359
   36   HD11  LEU   5          HD11      LEU   5  53.930   3.337  -4.195
   37   HD12  LEU   5          HD12      LEU   5  52.603   2.690  -5.186
   38   HD13  LEU   5          HD13      LEU   5  52.298   4.038  -4.064
   39   HD21  LEU   5          HD21      LEU   5  52.391   5.482  -7.563
   40   HD22  LEU   5          HD22      LEU   5  51.281   4.808  -6.346
   41   HD23  LEU   5          HD23      LEU   5  52.183   3.720  -7.428
   42    H    ILE   6           HN       ILE   6  55.232   6.932  -1.848
   43    HA   ILE   6           HA       ILE   6  55.827   9.070  -1.071
   44    HB   ILE   6           HB       ILE   6  57.512   9.444  -3.597
   45   HG12  ILE   6          HG12      ILE   6  57.980   7.338  -1.435
   46   HG13  ILE   6          HG11      ILE   6  57.699   7.038  -3.165
   47   HG21  ILE   6          HG21      ILE   6  59.055  10.446  -2.090
   48   HG22  ILE   6          HG22      ILE   6  58.337   9.643  -0.672
   49   HG23  ILE   6          HG23      ILE   6  57.468  10.969  -1.479
   50   HD11  ILE   6           HD1      ILE   6  60.066   6.895  -2.892
   51   HD12  ILE   6           HD2      ILE   6  60.111   8.336  -1.850
   52   HD13  ILE   6           HD3      ILE   6  59.782   8.507  -3.591
   53    H    LYS   7           HN       LYS   7  56.798  11.182  -3.145
   54    HA   LYS   7           HA       LYS   7  55.700  13.148  -3.774
   55    HB2  LYS   7           HB2      LYS   7  53.308  11.444  -4.611
   56    HB3  LYS   7           HB1      LYS   7  53.819  13.011  -5.281
   57    HG2  LYS   7           HG2      LYS   7  55.373  10.396  -5.522
   58    HG3  LYS   7           HG1      LYS   7  54.385  11.131  -6.808
   59    HD2  LYS   7           HD2      LYS   7  55.853  13.231  -6.527
   60    HD3  LYS   7           HD1      LYS   7  56.939  12.213  -5.551
   61    HE2  LYS   7           HE2      LYS   7  56.084  11.640  -8.422
   62    HE3  LYS   7           HE1      LYS   7  57.667  12.282  -7.920
   63    HZ1  LYS   7           HZ1      LYS   7  57.944  10.262  -6.551
   64    HZ2  LYS   7           HZ2      LYS   7  57.825   9.922  -8.211
   65    HZ3  LYS   7           HZ3      LYS   7  56.498   9.644  -7.186
   66    H    GLY   8           HN       GLY   8  55.682  11.646  -1.523
   67    HA2  GLY   8           HA1      GLY   8  54.777  11.110   0.431
   68    HA3  GLY   8           HA2      GLY   8  54.544  12.897   0.546
   69    H    ALA   9           HN       ALA   9  53.120   9.797   0.210
   70    HA   ALA   9           HA       ALA   9  50.963   9.028   0.096
   71    HB1  ALA   9           HB1      ALA   9  50.855   9.897   2.333
   72    HB2  ALA   9           HB2      ALA   9  49.333  10.333   1.518
   73    HB3  ALA   9           HB3      ALA   9  50.608  11.556   1.738
   74    H    ILE  10           HN       ILE  10  51.722  10.232  -2.226
   75    HA   ILE  10           HA       ILE  10  51.007  11.525  -4.035
   76    HB   ILE  10           HB       ILE  10  48.424  10.878  -4.535
   77   HG12  ILE  10          HG12      ILE  10  49.314   8.820  -2.452
   78   HG13  ILE  10          HG11      ILE  10  48.036  10.030  -2.217
   79   HG21  ILE  10          HG21      ILE  10  49.198   8.834  -5.600
   80   HG22  ILE  10          HG22      ILE  10  50.608   8.745  -4.519
   81   HG23  ILE  10          HG23      ILE  10  50.494  10.041  -5.734
   82   HD11  ILE  10           HD1      ILE  10  47.001   8.975  -4.413
   83   HD12  ILE  10           HD2      ILE  10  46.793   8.141  -2.855
   84   HD13  ILE  10           HD3      ILE  10  48.034   7.583  -4.000
   85    H    HIS  11           HN       HIS  11  47.727  11.629  -2.798
   86    HA   HIS  11           HA       HIS  11  47.349  14.339  -3.288
   87    HB2  HIS  11           HB2      HIS  11  46.066  12.928  -0.931
   88    HB3  HIS  11           HB1      HIS  11  45.384  14.205  -1.971
   89    HD1  HIS  11           HD1      HIS  11  46.240  13.008  -4.746
   90    HD2  HIS  11           HD2      HIS  11  44.438  10.786  -1.666
   91    HE1  HIS  11           HE1      HIS  11  45.083  11.003  -5.829
   92    H    GLY  12           HN       GLY  12  49.399  12.953  -0.905
   93    HA2  GLY  12           HA1      GLY  12  49.176  15.244   0.961
   94    HA3  GLY  12           HA2      GLY  12  50.301  13.875   1.073
   95    H    GLY  13           HN       GLY  13  50.069  15.252  -2.021
   96    HA2  GLY  13           HA1      GLY  13  52.020  17.373  -1.685
   97    HA3  GLY  13           HA2      GLY  13  52.745  15.889  -2.331
   98    H    ARG  14           HN       ARG  14  49.718  15.571  -3.386
   99    HA   ARG  14           HA       ARG  14  50.319  17.009  -5.966
  100    HB2  ARG  14           HB2      ARG  14  50.031  14.377  -5.695
  101    HB3  ARG  14           HB1      ARG  14  48.298  14.762  -5.709
  102    HG2  ARG  14           HG2      ARG  14  50.315  15.580  -7.856
  103    HG3  ARG  14           HG1      ARG  14  49.150  14.245  -7.989
  104    HD2  ARG  14           HD2      ARG  14  47.347  16.088  -7.450
  105    HD3  ARG  14           HD1      ARG  14  48.624  17.226  -7.946
  106    HE   ARG  14           HE       ARG  14  47.039  15.701  -9.744
  107   HH11  ARG  14          HH11      ARG  14  47.984  14.720 -11.633
  108   HH12  ARG  14          HH12      ARG  14  49.529  15.308 -12.150
  109   HH21  ARG  14          HH21      ARG  14  50.053  17.213  -9.300
  110   HH22  ARG  14          HH22      ARG  14  50.701  16.719 -10.829
  111    H    PHE  15           HN       PHE  15  47.516  16.009  -3.900
  112    HA   PHE  15           HA       PHE  15  45.679  17.767  -5.253
  113    HB2  PHE  15           HB2      PHE  15  45.156  15.751  -3.748
  114    HB3  PHE  15           HB1      PHE  15  45.446  16.834  -2.367
  115    HD1  PHE  15           HD1      PHE  15  43.562  16.775  -5.642
  116    HD2  PHE  15           HD2      PHE  15  43.585  18.018  -1.506
  117    HE1  PHE  15           HE1      PHE  15  41.248  17.664  -5.895
  118    HE2  PHE  15           HE2      PHE  15  41.273  18.908  -1.762
  119    HZ   PHE  15           HZ       PHE  15  40.078  18.661  -3.934
  120    H    ILE  16           HN       ILE  16  46.118  19.886  -5.415
  121    HA   ILE  16           HA       ILE  16  46.952  21.991  -4.779
  122    HB   ILE  16           HB       ILE  16  45.556  23.016  -2.931
  123   HG12  ILE  16          HG12      ILE  16  44.201  20.276  -2.939
  124   HG13  ILE  16          HG11      ILE  16  45.286  20.835  -1.650
  125   HG21  ILE  16          HG21      ILE  16  43.947  21.438  -4.988
  126   HG22  ILE  16          HG22      ILE  16  44.885  22.900  -5.377
  127   HG23  ILE  16          HG23      ILE  16  43.517  22.998  -4.247
  128   HD11  ILE  16           HD1      ILE  16  43.132  21.365  -0.824
  129   HD12  ILE  16           HD2      ILE  16  42.547  21.893  -2.417
  130   HD13  ILE  16           HD3      ILE  16  43.692  22.908  -1.506
  131    H    HIS  17           HN       HIS  17  48.928  20.516  -4.124
  132    HA   HIS  17           HA       HIS  17  49.838  21.623  -1.517
  133    HB2  HIS  17           HB2      HIS  17  48.881  19.316  -1.085
  134    HB3  HIS  17           HB1      HIS  17  50.117  18.667  -2.185
  135    HD1  HIS  17           HD1      HIS  17  49.559  19.191   1.297
  136    HD2  HIS  17           HD2      HIS  17  52.879  19.604  -1.238
  137    HE1  HIS  17           HE1      HIS  17  51.640  19.301   2.775
  138    H    GLY  18           HN       GLY  18  50.406  20.025  -4.627
  139    HA2  GLY  18           HA1      GLY  18  53.179  19.843  -4.742
  140    HA3  GLY  18           HA2      GLY  18  52.173  20.379  -6.112
  141    H    MET  19           HN       MET  19  51.120  22.627  -4.752
  142    HA   MET  19           HA       MET  19  52.523  24.574  -3.686
  143    HB2  MET  19           HB2      MET  19  53.838  24.052  -6.309
  144    HB3  MET  19           HB1      MET  19  53.633  25.744  -5.839
  145    HG2  MET  19           HG2      MET  19  55.196  25.624  -4.137
  146    HG3  MET  19           HG1      MET  19  54.785  23.952  -3.707
  147    HE1  MET  19           HE1      MET  19  57.394  24.149  -3.308
  148    HE2  MET  19           HE2      MET  19  58.357  23.155  -4.427
  149    HE3  MET  19           HE3      MET  19  56.865  22.498  -3.712
  150    H    ILE  20           HN       ILE  20  50.059  23.473  -5.061
  151    HA   ILE  20           HA       ILE  20  48.128  24.432  -5.905
  152    HB   ILE  20           HB       ILE  20  49.273  27.217  -5.375
  153   HG12  ILE  20          HG12      ILE  20  49.659  26.090  -3.288
  154   HG13  ILE  20          HG11      ILE  20  48.166  27.023  -3.077
  155   HG21  ILE  20          HG21      ILE  20  46.769  27.602  -4.841
  156   HG22  ILE  20          HG22      ILE  20  46.485  26.026  -5.613
  157   HG23  ILE  20          HG23      ILE  20  47.220  27.349  -6.539
  158   HD11  ILE  20           HD1      ILE  20  46.876  24.895  -3.640
  159   HD12  ILE  20           HD2      ILE  20  47.796  24.832  -2.126
  160   HD13  ILE  20           HD3      ILE  20  48.424  24.022  -3.578
  161    H    GLN  21           HN       GLN  21  51.314  24.855  -6.767
  162    HA   GLN  21           HA       GLN  21  50.612  25.984  -9.514
  163    HB2  GLN  21           HB2      GLN  21  52.326  27.192  -8.055
  164    HB3  GLN  21           HB1      GLN  21  53.363  25.757  -8.234
  165    HG2  GLN  21           HG2      GLN  21  54.034  27.284  -9.963
  166    HG3  GLN  21           HG1      GLN  21  53.077  26.019 -10.766
  167   HE21  GLN  21          HE21      GLN  21  53.032  28.103 -12.345
  168   HE22  GLN  21          HE22      GLN  21  51.608  29.125 -12.127
  169    H    ASN  22           HN       ASN  22  52.248  23.358  -7.699
  170    HA   ASN  22           HA       ASN  22  52.744  21.927 -10.296
  171    HB2  ASN  22           HB2      ASN  22  53.759  21.529  -7.455
  172    HB3  ASN  22           HB1      ASN  22  54.029  20.349  -8.759
  173   HD21  ASN  22          HD21      ASN  22  55.603  20.830 -10.380
  174   HD22  ASN  22          HD22      ASN  22  56.590  22.293 -10.328
  175    H    HIS  23           HN       HIS  23  50.609  22.204  -7.654
  176    HA   HIS  23           HA       HIS  23  49.756  19.573  -7.178
  177    HB2  HIS  23           HB2      HIS  23  47.632  20.539  -6.503
  178    HB3  HIS  23           HB1      HIS  23  48.941  21.640  -6.016
  179    HD1  HIS  23           HD1      HIS  23  45.785  22.262  -6.841
  180    HD2  HIS  23           HD2      HIS  23  49.301  23.210  -8.937
  181    HE1  HIS  23           HE1      HIS  23  45.220  24.159  -8.455
  182    H    HIS  24           HN       HIS  24  47.160  19.210  -7.844
  183    HA   HIS  24           HA       HIS  24  47.314  18.065 -10.450
  184    HB2  HIS  24           HB2      HIS  24  45.722  17.350  -8.676
  185    HB3  HIS  24           HB1      HIS  24  44.829  18.876  -8.888
  186    HD1  HIS  24           HD1      HIS  24  46.141  16.088 -11.212
  187    HD2  HIS  24           HD2      HIS  24  42.717  18.451 -10.597
  188    HE1  HIS  24           HE1      HIS  24  44.436  15.441 -13.002
  Start of MODEL   13
    1    H1   PHE   1           HT1      PHE   1  54.424   1.216  -8.314
    2    H2   PHE   1           HT2      PHE   1  55.076   0.235  -7.090
    3    H3   PHE   1           HT3      PHE   1  54.874  -0.381  -8.660
    4    HA   PHE   1           HA       PHE   1  57.166   0.156  -8.148
    5    HB2  PHE   1           HB2      PHE   1  56.067   0.280 -10.479
    6    HB3  PHE   1           HB1      PHE   1  56.037   2.042 -10.251
    7    HD1  PHE   1           HD1      PHE   1  58.466  -0.838  -9.808
    8    HD2  PHE   1           HD2      PHE   1  57.879   3.237 -11.132
    9    HE1  PHE   1           HE1      PHE   1  60.845  -0.721 -10.522
   10    HE2  PHE   1           HE2      PHE   1  60.260   3.345 -11.840
   11    HZ   PHE   1           HZ       PHE   1  61.730   1.352 -11.581
   12    H    LEU   2           HN       LEU   2  57.293   3.116  -9.462
   13    HA   LEU   2           HA       LEU   2  57.985   5.162  -8.614
   14    HB2  LEU   2           HB2      LEU   2  55.981   4.729  -6.374
   15    HB3  LEU   2           HB1      LEU   2  56.473   6.256  -7.145
   16    HG   LEU   2           HG       LEU   2  54.889   3.999  -8.452
   17   HD11  LEU   2          HD11      LEU   2  53.699   5.492  -6.779
   18   HD12  LEU   2          HD12      LEU   2  53.041   5.563  -8.431
   19   HD13  LEU   2          HD13      LEU   2  54.087   6.873  -7.833
   20   HD21  LEU   2          HD21      LEU   2  56.051   6.604  -9.525
   21   HD22  LEU   2          HD22      LEU   2  54.674   5.792 -10.309
   22   HD23  LEU   2          HD23      LEU   2  56.240   4.960 -10.179
   23    H    GLY   3           HN       GLY   3  58.805   2.385  -7.243
   24    HA2  GLY   3           HA1      GLY   3  60.583   1.914  -5.814
   25    HA3  GLY   3           HA2      GLY   3  60.765   3.647  -5.485
   26    H    ALA   4           HN       ALA   4  58.439   4.428  -4.400
   27    HA   ALA   4           HA       ALA   4  57.434   2.559  -2.415
   28    HB1  ALA   4           HB1      ALA   4  59.413   4.688  -1.538
   29    HB2  ALA   4           HB2      ALA   4  59.585   2.925  -1.367
   30    HB3  ALA   4           HB3      ALA   4  58.341   3.794  -0.437
   31    H    LEU   5           HN       LEU   5  55.891   3.786  -4.082
   32    HA   LEU   5           HA       LEU   5  54.135   5.277  -4.319
   33    HB2  LEU   5           HB2      LEU   5  54.460   5.185  -1.302
   34    HB3  LEU   5           HB1      LEU   5  53.203   6.184  -2.063
   35    HG   LEU   5           HG       LEU   5  52.238   4.228  -3.159
   36   HD11  LEU   5          HD11      LEU   5  53.214   1.924  -2.477
   37   HD12  LEU   5          HD12      LEU   5  54.677   2.821  -2.005
   38   HD13  LEU   5          HD13      LEU   5  54.113   2.859  -3.693
   39   HD21  LEU   5          HD21      LEU   5  52.847   3.510  -0.260
   40   HD22  LEU   5          HD22      LEU   5  51.398   3.081  -1.200
   41   HD23  LEU   5          HD23      LEU   5  51.689   4.774  -0.735
   42    H    ILE   6           HN       ILE   6  55.565   6.922  -1.490
   43    HA   ILE   6           HA       ILE   6  56.199   9.167  -1.231
   44    HB   ILE   6           HB       ILE   6  57.408   9.117  -4.042
   45   HG12  ILE   6          HG12      ILE   6  58.359   7.480  -1.645
   46   HG13  ILE   6          HG11      ILE   6  57.870   6.863  -3.240
   47   HG21  ILE   6          HG21      ILE   6  57.597  11.028  -2.272
   48   HG22  ILE   6          HG22      ILE   6  59.095  10.466  -3.045
   49   HG23  ILE   6          HG23      ILE   6  58.686   9.927  -1.399
   50   HD11  ILE   6           HD1      ILE   6  60.330   8.503  -2.539
   51   HD12  ILE   6           HD2      ILE   6  59.756   8.326  -4.216
   52   HD13  ILE   6           HD3      ILE   6  60.257   6.891  -3.289
   53    H    LYS   7           HN       LYS   7  56.660  10.864  -3.822
   54    HA   LYS   7           HA       LYS   7  55.351  12.643  -4.585
   55    HB2  LYS   7           HB2      LYS   7  53.183  10.482  -4.734
   56    HB3  LYS   7           HB1      LYS   7  53.013  12.125  -5.397
   57    HG2  LYS   7           HG2      LYS   7  55.033  11.704  -6.830
   58    HG3  LYS   7           HG1      LYS   7  55.057  10.026  -6.239
   59    HD2  LYS   7           HD2      LYS   7  52.779   9.665  -7.126
   60    HD3  LYS   7           HD1      LYS   7  52.728  11.351  -7.697
   61    HE2  LYS   7           HE2      LYS   7  54.713  10.900  -9.139
   62    HE3  LYS   7           HE1      LYS   7  54.696   9.203  -8.605
   63    HZ1  LYS   7           HZ1      LYS   7  52.144   9.594  -9.379
   64    HZ2  LYS   7           HZ2      LYS   7  53.356   8.915 -10.356
   65    HZ3  LYS   7           HZ3      LYS   7  52.976  10.567 -10.490
   66    H    GLY   8           HN       GLY   8  55.817  11.612  -2.126
   67    HA2  GLY   8           HA1      GLY   8  55.283  11.428   0.025
   68    HA3  GLY   8           HA2      GLY   8  54.994  13.202  -0.151
   69    H    ALA   9           HN       ALA   9  53.568   9.987  -0.144
   70    HA   ALA   9           HA       ALA   9  51.459   9.240   0.368
   71    HB1  ALA   9           HB1      ALA   9  50.209  10.402   2.036
   72    HB2  ALA   9           HB2      ALA   9  50.959  11.960   1.611
   73    HB3  ALA   9           HB3      ALA   9  51.926  10.690   2.400
   74    H    ILE  10           HN       ILE  10  51.410   9.607  -2.103
   75    HA   ILE  10           HA       ILE  10  50.377  10.523  -4.001
   76    HB   ILE  10           HB       ILE  10  47.808  10.197  -3.818
   77   HG12  ILE  10          HG12      ILE  10  48.636   9.045  -1.109
   78   HG13  ILE  10          HG11      ILE  10  47.761  10.578  -1.314
   79   HG21  ILE  10          HG21      ILE  10  48.028   7.780  -3.865
   80   HG22  ILE  10          HG22      ILE  10  49.553   7.849  -2.951
   81   HG23  ILE  10          HG23      ILE  10  49.483   8.467  -4.618
   82   HD11  ILE  10           HD1      ILE  10  46.805   7.755  -1.867
   83   HD12  ILE  10           HD2      ILE  10  46.042   9.137  -2.690
   84   HD13  ILE  10           HD3      ILE  10  46.022   9.034  -0.915
   85    H    HIS  11           HN       HIS  11  51.192  12.702  -3.728
   86    HA   HIS  11           HA       HIS  11  50.918  15.008  -3.507
   87    HB2  HIS  11           HB2      HIS  11  49.575  14.398  -5.545
   88    HB3  HIS  11           HB1      HIS  11  48.123  14.359  -4.516
   89    HD1  HIS  11           HD1      HIS  11  46.887  16.438  -5.238
   90    HD2  HIS  11           HD2      HIS  11  50.962  17.169  -4.498
   91    HE1  HIS  11           HE1      HIS  11  47.237  18.967  -5.327
   92    H    GLY  12           HN       GLY  12  49.979  13.247  -1.190
   93    HA2  GLY  12           HA1      GLY  12  49.270  13.816   0.955
   94    HA3  GLY  12           HA2      GLY  12  48.892  15.453   0.387
   95    H    GLY  13           HN       GLY  13  47.684  12.354  -0.891
   96    HA2  GLY  13           HA1      GLY  13  45.540  11.479  -0.936
   97    HA3  GLY  13           HA2      GLY  13  45.162  12.469   0.488
   98    H    ARG  14           HN       ARG  14  45.942  13.026  -2.969
   99    HA   ARG  14           HA       ARG  14  43.336  14.429  -3.308
  100    HB2  ARG  14           HB2      ARG  14  46.061  15.725  -3.733
  101    HB3  ARG  14           HB1      ARG  14  44.571  16.340  -4.475
  102    HG2  ARG  14           HG2      ARG  14  45.009  15.989  -1.471
  103    HG3  ARG  14           HG1      ARG  14  45.161  17.523  -2.348
  104    HD2  ARG  14           HD2      ARG  14  42.680  16.903  -3.178
  105    HD3  ARG  14           HD1      ARG  14  42.672  15.959  -1.668
  106    HE   ARG  14           HE       ARG  14  43.641  18.675  -1.264
  107   HH11  ARG  14          HH11      ARG  14  42.185  17.725   0.931
  108   HH12  ARG  14          HH12      ARG  14  40.561  18.288   0.706
  109   HH21  ARG  14          HH21      ARG  14  40.975  18.948  -2.672
  110   HH22  ARG  14          HH22      ARG  14  39.878  18.980  -1.332
  111    H    PHE  15           HN       PHE  15  46.434  13.371  -4.696
  112    HA   PHE  15           HA       PHE  15  45.896  13.455  -7.426
  113    HB2  PHE  15           HB2      PHE  15  48.004  12.604  -6.298
  114    HB3  PHE  15           HB1      PHE  15  47.161  11.059  -6.039
  115    HD1  PHE  15           HD1      PHE  15  46.768   9.519  -7.864
  116    HD2  PHE  15           HD2      PHE  15  48.428  13.430  -8.623
  117    HE1  PHE  15           HE1      PHE  15  47.327   8.830 -10.193
  118    HE2  PHE  15           HE2      PHE  15  48.986  12.742 -10.950
  119    HZ   PHE  15           HZ       PHE  15  48.517  10.414 -11.705
  120    H    ILE  16           HN       ILE  16  44.784  11.114  -5.031
  121    HA   ILE  16           HA       ILE  16  42.438  10.495  -6.594
  122    HB   ILE  16           HB       ILE  16  43.929   9.058  -7.868
  123   HG12  ILE  16          HG12      ILE  16  42.889   6.861  -7.497
  124   HG13  ILE  16          HG11      ILE  16  42.360   7.349  -5.876
  125   HG21  ILE  16          HG21      ILE  16  45.486   7.538  -6.968
  126   HG22  ILE  16          HG22      ILE  16  44.692   7.491  -5.379
  127   HG23  ILE  16          HG23      ILE  16  45.629   8.923  -5.864
  128   HD11  ILE  16           HD1      ILE  16  41.549   8.982  -8.304
  129   HD12  ILE  16           HD2      ILE  16  40.750   8.863  -6.717
  130   HD13  ILE  16           HD3      ILE  16  40.652   7.509  -7.864
  131    H    HIS  17           HN       HIS  17  41.772  11.422  -4.620
  132    HA   HIS  17           HA       HIS  17  41.000   9.420  -2.672
  133    HB2  HIS  17           HB2      HIS  17  43.428   9.923  -2.022
  134    HB3  HIS  17           HB1      HIS  17  42.883  11.572  -1.639
  135    HD1  HIS  17           HD1      HIS  17  41.862  11.955   0.623
  136    HD2  HIS  17           HD2      HIS  17  41.901   7.887  -0.444
  137    HE1  HIS  17           HE1      HIS  17  41.083  10.627   2.661
  138    H    GLY  18           HN       GLY  18  41.723  12.937  -3.069
  139    HA2  GLY  18           HA1      GLY  18  39.354  13.765  -1.612
  140    HA3  GLY  18           HA2      GLY  18  40.302  14.763  -2.749
  141    H    MET  19           HN       MET  19  40.185  13.966  -5.036
  142    HA   MET  19           HA       MET  19  38.304  12.492  -6.201
  143    HB2  MET  19           HB2      MET  19  36.870  14.756  -5.035
  144    HB3  MET  19           HB1      MET  19  36.663  14.723  -6.798
  145    HG2  MET  19           HG2      MET  19  35.782  12.474  -6.727
  146    HG3  MET  19           HG1      MET  19  36.202  12.300  -5.007
  147    HE1  MET  19           HE1      MET  19  33.599  11.453  -5.782
  148    HE2  MET  19           HE2      MET  19  32.360  12.339  -4.861
  149    HE3  MET  19           HE3      MET  19  33.816  11.730  -4.037
  150    H    ILE  20           HN       ILE  20  40.176  12.326  -7.367
  151    HA   ILE  20           HA       ILE  20  41.496  12.865  -9.206
  152    HB   ILE  20           HB       ILE  20  39.428  14.939 -10.070
  153   HG12  ILE  20          HG12      ILE  20  39.278  11.903 -10.386
  154   HG13  ILE  20          HG11      ILE  20  38.146  12.924  -9.472
  155   HG21  ILE  20          HG21      ILE  20  40.221  14.481 -12.271
  156   HG22  ILE  20          HG22      ILE  20  40.989  12.954 -11.775
  157   HG23  ILE  20          HG23      ILE  20  41.694  14.506 -11.280
  158   HD11  ILE  20           HD1      ILE  20  38.566  12.803 -12.477
  159   HD12  ILE  20           HD2      ILE  20  37.757  14.187 -11.700
  160   HD13  ILE  20           HD3      ILE  20  37.065  12.553 -11.557
  161    H    GLN  21           HN       GLN  21  41.077  14.249  -6.616
  162    HA   GLN  21           HA       GLN  21  42.501  15.782  -5.470
  163    HB2  GLN  21           HB2      GLN  21  42.927  17.304  -8.088
  164    HB3  GLN  21           HB1      GLN  21  43.721  17.594  -6.538
  165    HG2  GLN  21           HG2      GLN  21  45.084  15.691  -6.686
  166    HG3  GLN  21           HG1      GLN  21  43.993  14.849  -7.799
  167   HE21  GLN  21          HE21      GLN  21  45.344  18.211  -7.996
  168   HE22  GLN  21          HE22      GLN  21  46.148  17.943  -9.547
  169    H    ASN  22           HN       ASN  22  39.799  15.488  -6.000
  170    HA   ASN  22           HA       ASN  22  37.785  16.606  -5.998
  171    HB2  ASN  22           HB2      ASN  22  38.439  16.838  -3.726
  172    HB3  ASN  22           HB1      ASN  22  39.446  18.269  -4.097
  173   HD21  ASN  22          HD21      ASN  22  38.154  19.644  -2.642
  174   HD22  ASN  22          HD22      ASN  22  36.528  20.152  -3.108
  175    H    HIS  23           HN       HIS  23  38.863  17.014  -8.270
  176    HA   HIS  23           HA       HIS  23  38.949  18.476 -10.084
  177    HB2  HIS  23           HB2      HIS  23  36.539  18.700  -9.389
  178    HB3  HIS  23           HB1      HIS  23  36.995  20.144  -8.455
  179    HD1  HIS  23           HD1      HIS  23  36.664  22.269  -9.705
  180    HD2  HIS  23           HD2      HIS  23  37.683  19.091 -12.264
  181    HE1  HIS  23           HE1      HIS  23  36.663  23.182 -12.091
  182    H    HIS  24           HN       HIS  24  41.082  19.154  -9.946
  183    HA   HIS  24           HA       HIS  24  41.955  21.253  -8.174
  184    HB2  HIS  24           HB2      HIS  24  43.482  19.610  -9.242
  185    HB3  HIS  24           HB1      HIS  24  43.147  20.351 -10.826
  186    HD1  HIS  24           HD1      HIS  24  44.675  21.163  -7.417
  187    HD2  HIS  24           HD2      HIS  24  44.526  22.753 -11.308
  188    HE1  HIS  24           HE1      HIS  24  46.370  23.071  -7.526
  Start of MODEL   14
    1    H1   PHE   1           HT1      PHE   1  57.542   6.394   8.049
    2    H2   PHE   1           HT2      PHE   1  56.011   6.059   8.704
    3    H3   PHE   1           HT3      PHE   1  57.055   7.148   9.486
    4    HA   PHE   1           HA       PHE   1  55.076   7.805   7.802
    5    HB2  PHE   1           HB2      PHE   1  57.640   9.310   8.460
    6    HB3  PHE   1           HB1      PHE   1  56.153  10.047   7.817
    7    HD1  PHE   1           HD1      PHE   1  54.091  10.138   9.180
    8    HD2  PHE   1           HD2      PHE   1  57.761   8.513  10.764
    9    HE1  PHE   1           HE1      PHE   1  53.158  10.278  11.486
   10    HE2  PHE   1           HE2      PHE   1  56.828   8.653  13.070
   11    HZ   PHE   1           HZ       PHE   1  54.509   9.492  13.426
   12    H    LEU   2           HN       LEU   2  54.820   8.452   5.696
   13    HA   LEU   2           HA       LEU   2  55.221   8.366   3.411
   14    HB2  LEU   2           HB2      LEU   2  58.129   8.950   4.067
   15    HB3  LEU   2           HB1      LEU   2  57.196   9.443   2.635
   16    HG   LEU   2           HG       LEU   2  56.734  10.406   5.495
   17   HD11  LEU   2          HD11      LEU   2  58.759  11.350   4.453
   18   HD12  LEU   2          HD12      LEU   2  57.488  12.591   4.571
   19   HD13  LEU   2          HD13      LEU   2  57.821  11.802   3.009
   20   HD21  LEU   2          HD21      LEU   2  55.290  10.922   2.861
   21   HD22  LEU   2          HD22      LEU   2  55.195  12.062   4.226
   22   HD23  LEU   2          HD23      LEU   2  54.597  10.398   4.416
   23    H    GLY   3           HN       GLY   3  57.433   7.614   1.890
   24    HA2  GLY   3           HA1      GLY   3  58.599   5.751   1.142
   25    HA3  GLY   3           HA2      GLY   3  58.484   5.061   2.773
   26    H    ALA   4           HN       ALA   4  56.752   5.545  -0.295
   27    HA   ALA   4           HA       ALA   4  55.696   2.856  -0.221
   28    HB1  ALA   4           HB1      ALA   4  54.168   3.706   1.442
   29    HB2  ALA   4           HB2      ALA   4  53.277   3.509  -0.086
   30    HB3  ALA   4           HB3      ALA   4  53.796   5.129   0.441
   31    H    LEU   5           HN       LEU   5  55.407   6.190  -1.422
   32    HA   LEU   5           HA       LEU   5  55.719   5.308  -4.160
   33    HB2  LEU   5           HB2      LEU   5  53.225   4.785  -3.497
   34    HB3  LEU   5           HB1      LEU   5  53.001   6.542  -3.610
   35    HG   LEU   5           HG       LEU   5  54.227   6.242  -5.973
   36   HD11  LEU   5          HD11      LEU   5  53.042   3.475  -5.457
   37   HD12  LEU   5          HD12      LEU   5  54.761   3.849  -5.711
   38   HD13  LEU   5          HD13      LEU   5  53.600   4.071  -7.037
   39   HD21  LEU   5          HD21      LEU   5  51.948   7.072  -5.778
   40   HD22  LEU   5          HD22      LEU   5  51.340   5.443  -5.394
   41   HD23  LEU   5          HD23      LEU   5  51.969   5.798  -7.021
   42    H    ILE   6           HN       ILE   6  56.111   7.419  -1.755
   43    HA   ILE   6           HA       ILE   6  56.569   9.718  -1.582
   44    HB   ILE   6           HB       ILE   6  57.450   9.695  -4.512
   45   HG12  ILE   6          HG12      ILE   6  58.793   8.163  -2.236
   46   HG13  ILE   6          HG11      ILE   6  58.100   7.465  -3.718
   47   HG21  ILE   6          HG21      ILE   6  58.996  10.594  -2.047
   48   HG22  ILE   6          HG22      ILE   6  57.741  11.627  -2.768
   49   HG23  ILE   6          HG23      ILE   6  59.158  11.148  -3.731
   50   HD11  ILE   6           HD1      ILE   6  60.548   9.250  -3.453
   51   HD12  ILE   6           HD2      ILE   6  59.738   8.976  -5.015
   52   HD13  ILE   6           HD3      ILE   6  60.450   7.607  -4.128
   53    H    LYS   7           HN       LYS   7  56.634  11.423  -4.183
   54    HA   LYS   7           HA       LYS   7  55.131  13.098  -4.810
   55    HB2  LYS   7           HB2      LYS   7  52.981  10.923  -4.650
   56    HB3  LYS   7           HB1      LYS   7  52.877  12.454  -5.552
   57    HG2  LYS   7           HG2      LYS   7  54.652  11.750  -7.065
   58    HG3  LYS   7           HG1      LYS   7  54.943  10.281  -6.104
   59    HD2  LYS   7           HD2      LYS   7  52.690   9.454  -6.627
   60    HD3  LYS   7           HD1      LYS   7  52.324  10.951  -7.519
   61    HE2  LYS   7           HE2      LYS   7  52.965   9.158  -9.087
   62    HE3  LYS   7           HE1      LYS   7  54.187  10.453  -9.093
   63    HZ1  LYS   7           HZ1      LYS   7  54.338   7.839  -7.681
   64    HZ2  LYS   7           HZ2      LYS   7  55.442   9.107  -7.440
   65    HZ3  LYS   7           HZ3      LYS   7  55.308   8.372  -8.965
   66    H    GLY   8           HN       GLY   8  55.922  12.114  -2.416
   67    HA2  GLY   8           HA1      GLY   8  55.633  11.908  -0.221
   68    HA3  GLY   8           HA2      GLY   8  55.192  13.655  -0.362
   69    H    ALA   9           HN       ALA   9  54.029  10.339  -0.196
   70    HA   ALA   9           HA       ALA   9  52.042   9.440   0.524
   71    HB1  ALA   9           HB1      ALA   9  52.606  10.934   2.499
   72    HB2  ALA   9           HB2      ALA   9  50.884  10.524   2.311
   73    HB3  ALA   9           HB3      ALA   9  51.477  12.126   1.814
   74    H    ILE  10           HN       ILE  10  51.852  10.000  -1.998
   75    HA   ILE  10           HA       ILE  10  50.561  10.873  -3.745
   76    HB   ILE  10           HB       ILE  10  48.092  10.177  -3.461
   77   HG12  ILE  10          HG12      ILE  10  49.193   8.991  -0.865
   78   HG13  ILE  10          HG11      ILE  10  48.112  10.400  -0.936
   79   HG21  ILE  10          HG21      ILE  10  49.948   8.740  -4.432
   80   HG22  ILE  10          HG22      ILE  10  48.628   7.821  -3.679
   81   HG23  ILE  10          HG23      ILE  10  50.167   8.037  -2.811
   82   HD11  ILE  10           HD1      ILE  10  46.540   8.820  -2.334
   83   HD12  ILE  10           HD2      ILE  10  46.618   8.611  -0.571
   84   HD13  ILE  10           HD3      ILE  10  47.520   7.509  -1.635
   85    H    HIS  11           HN       HIS  11  51.150  13.123  -3.219
   86    HA   HIS  11           HA       HIS  11  50.573  15.343  -2.829
   87    HB2  HIS  11           HB2      HIS  11  47.877  14.305  -3.788
   88    HB3  HIS  11           HB1      HIS  11  48.380  16.012  -3.750
   89    HD1  HIS  11           HD1      HIS  11  50.266  12.868  -4.923
   90    HD2  HIS  11           HD2      HIS  11  48.937  16.572  -6.404
   91    HE1  HIS  11           HE1      HIS  11  51.183  13.113  -7.295
   92    H    GLY  12           HN       GLY  12  50.058  13.272  -0.649
   93    HA2  GLY  12           HA1      GLY  12  49.283  13.346   1.530
   94    HA3  GLY  12           HA2      GLY  12  49.054  15.092   1.308
   95    H    GLY  13           HN       GLY  13  47.574  12.037   0.126
   96    HA2  GLY  13           HA1      GLY  13  45.353  11.429  -0.034
   97    HA3  GLY  13           HA2      GLY  13  45.063  12.467   1.377
   98    H    ARG  14           HN       ARG  14  45.593  12.596  -2.161
   99    HA   ARG  14           HA       ARG  14  43.256  14.328  -2.473
  100    HB2  ARG  14           HB2      ARG  14  45.476  15.723  -1.774
  101    HB3  ARG  14           HB1      ARG  14  45.779  15.621  -3.518
  102    HG2  ARG  14           HG2      ARG  14  43.270  16.731  -2.171
  103    HG3  ARG  14           HG1      ARG  14  44.532  17.676  -2.993
  104    HD2  ARG  14           HD2      ARG  14  42.499  15.775  -4.202
  105    HD3  ARG  14           HD1      ARG  14  42.823  17.471  -4.623
  106    HE   ARG  14           HE       ARG  14  44.192  15.189  -5.735
  107   HH11  ARG  14          HH11      ARG  14  46.201  15.495  -6.755
  108   HH12  ARG  14          HH12      ARG  14  46.883  17.086  -6.808
  109   HH21  ARG  14          HH21      ARG  14  44.394  18.505  -4.853
  110   HH22  ARG  14          HH22      ARG  14  45.861  18.790  -5.729
  111    H    PHE  15           HN       PHE  15  46.192  12.820  -3.788
  112    HA   PHE  15           HA       PHE  15  45.879  13.032  -6.520
  113    HB2  PHE  15           HB2      PHE  15  47.615  11.671  -5.295
  114    HB3  PHE  15           HB1      PHE  15  46.399  10.385  -5.114
  115    HD1  PHE  15           HD1      PHE  15  48.528  12.249  -7.505
  116    HD2  PHE  15           HD2      PHE  15  45.600   9.111  -7.050
  117    HE1  PHE  15           HE1      PHE  15  49.038  11.438  -9.805
  118    HE2  PHE  15           HE2      PHE  15  46.110   8.302  -9.350
  119    HZ   PHE  15           HZ       PHE  15  47.873   9.427 -10.704
  120    H    ILE  16           HN       ILE  16  44.104  10.744  -4.403
  121    HA   ILE  16           HA       ILE  16  42.441   9.844  -6.676
  122    HB   ILE  16           HB       ILE  16  42.064   9.222  -3.714
  123   HG12  ILE  16          HG12      ILE  16  43.800   7.848  -5.817
  124   HG13  ILE  16          HG11      ILE  16  44.378   8.693  -4.363
  125   HG21  ILE  16          HG21      ILE  16  40.817   7.333  -4.488
  126   HG22  ILE  16          HG22      ILE  16  41.401   7.531  -6.159
  127   HG23  ILE  16          HG23      ILE  16  40.244   8.696  -5.475
  128   HD11  ILE  16           HD1      ILE  16  42.820   6.090  -4.537
  129   HD12  ILE  16           HD2      ILE  16  42.914   7.028  -3.026
  130   HD13  ILE  16           HD3      ILE  16  44.396   6.388  -3.771
  131    H    HIS  17           HN       HIS  17  41.356  10.838  -3.396
  132    HA   HIS  17           HA       HIS  17  39.938  13.172  -4.344
  133    HB2  HIS  17           HB2      HIS  17  38.535  11.434  -5.442
  134    HB3  HIS  17           HB1      HIS  17  38.222  10.707  -3.849
  135    HD1  HIS  17           HD1      HIS  17  36.463  11.782  -2.362
  136    HD2  HIS  17           HD2      HIS  17  37.387  14.089  -5.756
  137    HE1  HIS  17           HE1      HIS  17  34.794  13.713  -2.448
  138    H    GLY  18           HN       GLY  18  41.661  12.772  -2.274
  139    HA2  GLY  18           HA1      GLY  18  41.296  13.961  -0.107
  140    HA3  GLY  18           HA2      GLY  18  39.886  12.910   0.156
  141    H    MET  19           HN       MET  19  40.917  10.580  -0.879
  142    HA   MET  19           HA       MET  19  43.138   9.409  -0.457
  143    HB2  MET  19           HB2      MET  19  43.954  10.343   1.542
  144    HB3  MET  19           HB1      MET  19  42.397  10.189   2.354
  145    HG2  MET  19           HG2      MET  19  42.654   7.807   2.591
  146    HG3  MET  19           HG1      MET  19  44.022   7.784   1.454
  147    HE1  MET  19           HE1      MET  19  46.120   9.425   1.864
  148    HE2  MET  19           HE2      MET  19  46.359   7.692   2.187
  149    HE3  MET  19           HE3      MET  19  47.035   8.905   3.299
  150    H    ILE  20           HN       ILE  20  42.107   8.067  -1.763
  151    HA   ILE  20           HA       ILE  20  40.826   6.195  -2.293
  152    HB   ILE  20           HB       ILE  20  40.570   5.572   0.691
  153   HG12  ILE  20          HG12      ILE  20  42.936   4.983  -1.151
  154   HG13  ILE  20          HG11      ILE  20  42.949   6.077   0.248
  155   HG21  ILE  20          HG21      ILE  20  40.982   3.664  -1.649
  156   HG22  ILE  20          HG22      ILE  20  39.366   4.246  -1.198
  157   HG23  ILE  20          HG23      ILE  20  40.327   3.311  -0.033
  158   HD11  ILE  20           HD1      ILE  20  42.664   3.055   0.220
  159   HD12  ILE  20           HD2      ILE  20  42.175   4.022   1.634
  160   HD13  ILE  20           HD3      ILE  20  43.866   4.047   1.079
  161    H    GLN  21           HN       GLN  21  40.045   8.871  -1.494
  162    HA   GLN  21           HA       GLN  21  38.017  10.048  -1.590
  163    HB2  GLN  21           HB2      GLN  21  36.457   7.542  -0.820
  164    HB3  GLN  21           HB1      GLN  21  35.846   9.048  -1.527
  165    HG2  GLN  21           HG2      GLN  21  37.432   8.486  -3.545
  166    HG3  GLN  21           HG1      GLN  21  37.437   6.839  -2.875
  167   HE21  GLN  21          HE21      GLN  21  35.344   9.381  -4.292
  168   HE22  GLN  21          HE22      GLN  21  34.005   8.289  -4.658
  169    H    ASN  22           HN       ASN  22  39.900   9.542   0.384
  170    HA   ASN  22           HA       ASN  22  40.286   9.647   2.643
  171    HB2  ASN  22           HB2      ASN  22  39.748  11.906   2.247
  172    HB3  ASN  22           HB1      ASN  22  37.989  11.579   2.290
  173   HD21  ASN  22          HD21      ASN  22  38.297  13.428   4.058
  174   HD22  ASN  22          HD22      ASN  22  38.577  12.846   5.702
  175    H    HIS  23           HN       HIS  23  39.552   7.389   2.393
  176    HA   HIS  23           HA       HIS  23  38.403   5.573   3.309
  177    HB2  HIS  23           HB2      HIS  23  38.238   7.545   5.622
  178    HB3  HIS  23           HB1      HIS  23  37.830   5.817   5.749
  179    HD1  HIS  23           HD1      HIS  23  39.865   4.144   4.827
  180    HD2  HIS  23           HD2      HIS  23  40.916   8.018   6.086
  181    HE1  HIS  23           HE1      HIS  23  42.381   4.141   5.279
  182    H    HIS  24           HN       HIS  24  36.454   7.745   5.272
  183    HA   HIS  24           HA       HIS  24  33.999   6.551   4.411
  184    HB2  HIS  24           HB2      HIS  24  34.335   7.757   6.574
  185    HB3  HIS  24           HB1      HIS  24  34.410   9.290   5.673
  186    HD1  HIS  24           HD1      HIS  24  32.081   7.061   3.998
  187    HD2  HIS  24           HD2      HIS  24  31.871   9.622   7.329
  188    HE1  HIS  24           HE1      HIS  24  29.609   7.532   4.442
  Start of MODEL   15
    1    H1   PHE   1           HT1      PHE   1  55.023  11.127   8.926
    2    H2   PHE   1           HT2      PHE   1  54.412  11.301   7.349
    3    H3   PHE   1           HT3      PHE   1  55.998  11.794   7.710
    4    HA   PHE   1           HA       PHE   1  56.839   9.768   7.589
    5    HB2  PHE   1           HB2      PHE   1  55.609   9.030   9.598
    6    HB3  PHE   1           HB1      PHE   1  54.163   8.726   8.605
    7    HD1  PHE   1           HD1      PHE   1  57.839   7.877   8.728
    8    HD2  PHE   1           HD2      PHE   1  53.857   6.553   7.712
    9    HE1  PHE   1           HE1      PHE   1  58.733   5.625   8.157
   10    HE2  PHE   1           HE2      PHE   1  54.753   4.299   7.143
   11    HZ   PHE   1           HZ       PHE   1  57.182   3.820   7.417
   12    H    LEU   2           HN       LEU   2  56.863   8.095   5.999
   13    HA   LEU   2           HA       LEU   2  55.416   8.854   3.590
   14    HB2  LEU   2           HB2      LEU   2  57.321   6.607   4.326
   15    HB3  LEU   2           HB1      LEU   2  56.521   6.654   2.738
   16    HG   LEU   2           HG       LEU   2  57.490   8.842   2.256
   17   HD11  LEU   2          HD11      LEU   2  58.457   8.657   5.135
   18   HD12  LEU   2          HD12      LEU   2  57.515   9.957   4.363
   19   HD13  LEU   2          HD13      LEU   2  59.231   9.740   3.952
   20   HD21  LEU   2          HD21      LEU   2  59.555   6.913   3.411
   21   HD22  LEU   2          HD22      LEU   2  59.899   8.216   2.249
   22   HD23  LEU   2          HD23      LEU   2  58.867   6.846   1.771
   23    H    GLY   3           HN       GLY   3  54.622   6.688   2.287
   24    HA2  GLY   3           HA1      GLY   3  53.171   4.716   3.701
   25    HA3  GLY   3           HA2      GLY   3  52.081   6.097   3.468
   26    H    ALA   4           HN       ALA   4  54.254   6.213   0.980
   27    HA   ALA   4           HA       ALA   4  53.162   4.133  -0.739
   28    HB1  ALA   4           HB1      ALA   4  51.904   5.538  -2.258
   29    HB2  ALA   4           HB2      ALA   4  52.298   6.989  -1.305
   30    HB3  ALA   4           HB3      ALA   4  51.239   5.734  -0.619
   31    H    LEU   5           HN       LEU   5  53.561   5.208  -3.219
   32    HA   LEU   5           HA       LEU   5  56.479   5.360  -3.282
   33    HB2  LEU   5           HB2      LEU   5  54.624   5.913  -5.622
   34    HB3  LEU   5           HB1      LEU   5  56.261   5.214  -5.638
   35    HG   LEU   5           HG       LEU   5  53.727   3.914  -4.543
   36   HD11  LEU   5          HD11      LEU   5  54.198   2.252  -6.340
   37   HD12  LEU   5          HD12      LEU   5  55.581   3.237  -6.872
   38   HD13  LEU   5          HD13      LEU   5  53.926   3.881  -7.000
   39   HD21  LEU   5          HD21      LEU   5  55.502   3.219  -3.088
   40   HD22  LEU   5          HD22      LEU   5  56.660   3.091  -4.434
   41   HD23  LEU   5          HD23      LEU   5  55.336   1.911  -4.280
   42    H    ILE   6           HN       ILE   6  56.324   7.364  -1.792
   43    HA   ILE   6           HA       ILE   6  56.469   9.697  -1.512
   44    HB   ILE   6           HB       ILE   6  57.502   9.902  -4.384
   45   HG12  ILE   6          HG12      ILE   6  58.898   8.456  -2.084
   46   HG13  ILE   6          HG11      ILE   6  58.387   7.742  -3.632
   47   HG21  ILE   6          HG21      ILE   6  57.449  11.785  -2.572
   48   HG22  ILE   6          HG22      ILE   6  58.972  11.520  -3.452
   49   HG23  ILE   6          HG23      ILE   6  58.776  10.887  -1.800
   50   HD11  ILE   6           HD1      ILE   6  60.572   9.800  -3.143
   51   HD12  ILE   6           HD2      ILE   6  59.895   9.505  -4.764
   52   HD13  ILE   6           HD3      ILE   6  60.719   8.192  -3.889
   53    H    LYS   7           HN       LYS   7  56.456  11.491  -4.055
   54    HA   LYS   7           HA       LYS   7  54.791  12.985  -4.719
   55    HB2  LYS   7           HB2      LYS   7  52.873  10.604  -4.720
   56    HB3  LYS   7           HB1      LYS   7  52.711  12.113  -5.649
   57    HG2  LYS   7           HG2      LYS   7  54.648  11.546  -7.015
   58    HG3  LYS   7           HG1      LYS   7  54.984  10.113  -6.014
   59    HD2  LYS   7           HD2      LYS   7  52.869   9.087  -6.695
   60    HD3  LYS   7           HD1      LYS   7  52.421  10.548  -7.609
   61    HE2  LYS   7           HE2      LYS   7  53.365   8.715  -9.057
   62    HE3  LYS   7           HE1      LYS   7  54.297  10.231  -9.137
   63    HZ1  LYS   7           HZ1      LYS   7  55.555   8.037  -8.808
   64    HZ2  LYS   7           HZ2      LYS   7  55.004   8.107  -7.201
   65    HZ3  LYS   7           HZ3      LYS   7  55.978   9.352  -7.824
   66    H    GLY   8           HN       GLY   8  55.559  12.009  -2.314
   67    HA2  GLY   8           HA1      GLY   8  55.181  11.695  -0.143
   68    HA3  GLY   8           HA2      GLY   8  54.542  13.382  -0.257
   69    H    ALA   9           HN       ALA   9  53.758   9.951  -0.356
   70    HA   ALA   9           HA       ALA   9  51.865   8.787   0.216
   71    HB1  ALA   9           HB1      ALA   9  52.066  10.320   2.264
   72    HB2  ALA   9           HB2      ALA   9  50.461   9.623   1.940
   73    HB3  ALA   9           HB3      ALA   9  50.800  11.316   1.510
   74    H    ILE  10           HN       ILE  10  51.605   8.949  -2.164
   75    HA   ILE  10           HA       ILE  10  50.199   9.127  -3.977
   76    HB   ILE  10           HB       ILE  10  48.248   9.659  -1.719
   77   HG12  ILE  10          HG12      ILE  10  47.070   7.766  -2.786
   78   HG13  ILE  10          HG11      ILE  10  48.247   7.783  -4.120
   79   HG21  ILE  10          HG21      ILE  10  46.408   9.916  -3.519
   80   HG22  ILE  10          HG22      ILE  10  47.724  10.406  -4.612
   81   HG23  ILE  10          HG23      ILE  10  47.389  11.351  -3.139
   82   HD11  ILE  10           HD1      ILE  10  48.699   6.077  -2.266
   83   HD12  ILE  10           HD2      ILE  10  49.060   7.458  -1.204
   84   HD13  ILE  10           HD3      ILE  10  50.052   7.166  -2.652
   85    H    HIS  11           HN       HIS  11  49.182  11.944  -1.987
   86    HA   HIS  11           HA       HIS  11  50.642  13.780  -3.760
   87    HB2  HIS  11           HB2      HIS  11  48.460  13.244  -4.981
   88    HB3  HIS  11           HB1      HIS  11  47.607  14.001  -3.616
   89    HD1  HIS  11           HD1      HIS  11  47.731  16.564  -3.359
   90    HD2  HIS  11           HD2      HIS  11  49.920  15.070  -6.624
   91    HE1  HIS  11           HE1      HIS  11  48.454  18.566  -4.773
   92    H    GLY  12           HN       GLY  12  49.635  12.732  -0.896
   93    HA2  GLY  12           HA1      GLY  12  50.219  13.868   1.141
   94    HA3  GLY  12           HA2      GLY  12  49.919  15.437   0.367
   95    H    GLY  13           HN       GLY  13  47.911  12.474   0.449
   96    HA2  GLY  13           HA1      GLY  13  45.680  12.235   1.043
   97    HA3  GLY  13           HA2      GLY  13  46.146  13.144   2.496
   98    H    ARG  14           HN       ARG  14  45.280  13.609  -0.948
   99    HA   ARG  14           HA       ARG  14  43.292  15.617  -0.198
  100    HB2  ARG  14           HB2      ARG  14  45.298  17.023  -0.084
  101    HB3  ARG  14           HB1      ARG  14  45.813  16.465  -1.690
  102    HG2  ARG  14           HG2      ARG  14  44.720  18.724  -1.734
  103    HG3  ARG  14           HG1      ARG  14  43.872  17.529  -2.738
  104    HD2  ARG  14           HD2      ARG  14  42.066  17.356  -1.225
  105    HD3  ARG  14           HD1      ARG  14  43.027  17.964   0.147
  106    HE   ARG  14           HE       ARG  14  42.338  20.121  -0.481
  107   HH11  ARG  14          HH11      ARG  14  41.688  17.886  -2.990
  108   HH12  ARG  14          HH12      ARG  14  41.327  19.098  -4.174
  109   HH21  ARG  14          HH21      ARG  14  42.133  21.749  -2.089
  110   HH22  ARG  14          HH22      ARG  14  41.580  21.286  -3.663
  111    H    PHE  15           HN       PHE  15  44.920  13.498  -2.373
  112    HA   PHE  15           HA       PHE  15  43.881  14.158  -4.886
  113    HB2  PHE  15           HB2      PHE  15  45.405  12.212  -4.297
  114    HB3  PHE  15           HB1      PHE  15  43.956  11.330  -3.762
  115    HD1  PHE  15           HD1      PHE  15  42.629  10.159  -5.353
  116    HD2  PHE  15           HD2      PHE  15  45.383  13.197  -6.702
  117    HE1  PHE  15           HE1      PHE  15  42.159   9.535  -7.718
  118    HE2  PHE  15           HE2      PHE  15  44.912  12.572  -9.067
  119    HZ   PHE  15           HZ       PHE  15  43.239  10.798  -9.575
  120    H    ILE  16           HN       ILE  16  42.195  13.293  -2.029
  121    HA   ILE  16           HA       ILE  16  39.614  13.423  -3.500
  122    HB   ILE  16           HB       ILE  16  40.052  11.189  -1.468
  123   HG12  ILE  16          HG12      ILE  16  40.368  11.097  -4.503
  124   HG13  ILE  16          HG11      ILE  16  41.626  10.763  -3.291
  125   HG21  ILE  16          HG21      ILE  16  38.039  11.449  -3.741
  126   HG22  ILE  16          HG22      ILE  16  37.732  12.086  -2.107
  127   HG23  ILE  16          HG23      ILE  16  37.983  10.342  -2.349
  128   HD11  ILE  16           HD1      ILE  16  40.002   8.917  -2.413
  129   HD12  ILE  16           HD2      ILE  16  40.877   8.607  -3.932
  130   HD13  ILE  16           HD3      ILE  16  39.172   9.112  -3.977
  131    H    HIS  17           HN       HIS  17  40.562  12.376  -0.184
  132    HA   HIS  17           HA       HIS  17  39.921  14.976   0.973
  133    HB2  HIS  17           HB2      HIS  17  37.948  12.668   1.224
  134    HB3  HIS  17           HB1      HIS  17  38.023  14.000   2.400
  135    HD1  HIS  17           HD1      HIS  17  36.311  13.026  -0.610
  136    HD2  HIS  17           HD2      HIS  17  37.764  16.658   0.930
  137    HE1  HIS  17           HE1      HIS  17  35.157  14.911  -1.891
  138    H    GLY  18           HN       GLY  18  42.247  13.766   1.131
  139    HA2  GLY  18           HA1      GLY  18  43.786  12.941   2.659
  140    HA3  GLY  18           HA2      GLY  18  42.572  13.166   3.915
  141    H    MET  19           HN       MET  19  42.990  11.172   1.036
  142    HA   MET  19           HA       MET  19  42.385   8.985   0.822
  143    HB2  MET  19           HB2      MET  19  44.028   8.793   3.279
  144    HB3  MET  19           HB1      MET  19  43.635   7.409   2.231
  145    HG2  MET  19           HG2      MET  19  44.845   8.360   0.377
  146    HG3  MET  19           HG1      MET  19  45.024   9.922   1.214
  147    HE1  MET  19           HE1      MET  19  45.564   6.065   1.884
  148    HE2  MET  19           HE2      MET  19  47.342   6.020   1.805
  149    HE3  MET  19           HE3      MET  19  46.403   6.567   0.396
  150    H    ILE  20           HN       ILE  20  40.574  10.595   2.599
  151    HA   ILE  20           HA       ILE  20  38.719  10.104   3.912
  152    HB   ILE  20           HB       ILE  20  39.007   7.413   2.479
  153   HG12  ILE  20          HG12      ILE  20  36.903   8.159   1.394
  154   HG13  ILE  20          HG11      ILE  20  36.939   9.655   2.358
  155   HG21  ILE  20          HG21      ILE  20  36.643   6.999   3.446
  156   HG22  ILE  20          HG22      ILE  20  37.040   8.262   4.637
  157   HG23  ILE  20          HG23      ILE  20  38.015   6.776   4.555
  158   HD11  ILE  20           HD1      ILE  20  39.291   8.868   0.599
  159   HD12  ILE  20           HD2      ILE  20  38.860  10.475   1.233
  160   HD13  ILE  20           HD3      ILE  20  37.891   9.742  -0.065
  161    H    GLN  21           HN       GLN  21  41.771   8.771   4.077
  162    HA   GLN  21           HA       GLN  21  41.297   7.582   6.840
  163    HB2  GLN  21           HB2      GLN  21  42.276   6.096   5.013
  164    HB3  GLN  21           HB1      GLN  21  43.698   7.168   5.018
  165    HG2  GLN  21           HG2      GLN  21  43.977   6.741   7.465
  166    HG3  GLN  21           HG1      GLN  21  42.608   5.607   7.401
  167   HE21  GLN  21          HE21      GLN  21  42.991   3.480   6.644
  168   HE22  GLN  21          HE22      GLN  21  44.564   2.945   6.042
  169    H    ASN  22           HN       ASN  22  43.348   9.777   4.839
  170    HA   ASN  22           HA       ASN  22  44.828  10.648   7.243
  171    HB2  ASN  22           HB2      ASN  22  46.022  10.588   5.109
  172    HB3  ASN  22           HB1      ASN  22  44.780  11.605   4.344
  173   HD21  ASN  22          HD21      ASN  22  47.025  11.670   7.212
  174   HD22  ASN  22          HD22      ASN  22  47.373  13.396   7.064
  175    H    HIS  23           HN       HIS  23  42.083  11.419   5.198
  176    HA   HIS  23           HA       HIS  23  40.469  13.103   5.406
  177    HB2  HIS  23           HB2      HIS  23  41.372  12.931   8.306
  178    HB3  HIS  23           HB1      HIS  23  39.974  13.886   7.762
  179    HD1  HIS  23           HD1      HIS  23  38.128  12.432   6.296
  180    HD2  HIS  23           HD2      HIS  23  40.776  10.256   8.732
  181    HE1  HIS  23           HE1      HIS  23  37.096  10.126   6.672
  182    H    HIS  24           HN       HIS  24  40.146  15.441   6.632
  183    HA   HIS  24           HA       HIS  24  42.061  17.136   5.315
  184    HB2  HIS  24           HB2      HIS  24  40.090  17.827   7.529
  185    HB3  HIS  24           HB1      HIS  24  40.881  18.976   6.423
  186    HD1  HIS  24           HD1      HIS  24  40.067  19.078   3.966
  187    HD2  HIS  24           HD2      HIS  24  38.083  16.183   6.283
  188    HE1  HIS  24           HE1      HIS  24  38.026  18.306   2.636
  Start of MODEL   16
    1    H1   PHE   1           HT1      PHE   1  54.896   2.457 -10.257
    2    H2   PHE   1           HT2      PHE   1  56.230   2.674 -11.288
    3    H3   PHE   1           HT3      PHE   1  54.656   2.985 -11.849
    4    HA   PHE   1           HA       PHE   1  56.207   4.903 -11.145
    5    HB2  PHE   1           HB2      PHE   1  54.154   6.165 -10.417
    6    HB3  PHE   1           HB1      PHE   1  53.943   5.251 -11.930
    7    HD1  PHE   1           HD1      PHE   1  52.877   5.617  -8.447
    8    HD2  PHE   1           HD2      PHE   1  52.764   3.024 -11.895
    9    HE1  PHE   1           HE1      PHE   1  50.981   4.355  -7.436
   10    HE2  PHE   1           HE2      PHE   1  50.868   1.764 -10.886
   11    HZ   PHE   1           HZ       PHE   1  49.932   2.474  -8.688
   12    H    LEU   2           HN       LEU   2  57.421   5.547  -9.503
   13    HA   LEU   2           HA       LEU   2  57.137   4.296  -6.875
   14    HB2  LEU   2           HB2      LEU   2  58.859   6.710  -7.531
   15    HB3  LEU   2           HB1      LEU   2  59.136   5.442  -6.311
   16    HG   LEU   2           HG       LEU   2  59.223   5.102  -9.343
   17   HD11  LEU   2          HD11      LEU   2  61.611   4.577  -8.911
   18   HD12  LEU   2          HD12      LEU   2  61.365   4.904  -7.178
   19   HD13  LEU   2          HD13      LEU   2  61.200   6.220  -8.366
   20   HD21  LEU   2          HD21      LEU   2  60.081   2.762  -8.645
   21   HD22  LEU   2          HD22      LEU   2  58.336   3.054  -8.478
   22   HD23  LEU   2          HD23      LEU   2  59.388   3.109  -7.042
   23    H    GLY   3           HN       GLY   3  55.066   6.274  -8.165
   24    HA2  GLY   3           HA1      GLY   3  55.004   8.574  -6.451
   25    HA3  GLY   3           HA2      GLY   3  53.642   7.921  -7.383
   26    H    ALA   4           HN       ALA   4  54.229   5.254  -5.916
   27    HA   ALA   4           HA       ALA   4  52.280   5.740  -3.785
   28    HB1  ALA   4           HB1      ALA   4  53.897   3.258  -4.465
   29    HB2  ALA   4           HB2      ALA   4  52.295   3.665  -5.126
   30    HB3  ALA   4           HB3      ALA   4  52.483   3.331  -3.387
   31    H    LEU   5           HN       LEU   5  55.746   5.621  -4.080
   32    HA   LEU   5           HA       LEU   5  56.147   5.196  -1.166
   33    HB2  LEU   5           HB2      LEU   5  57.979   5.545  -3.560
   34    HB3  LEU   5           HB1      LEU   5  58.611   5.596  -1.903
   35    HG   LEU   5           HG       LEU   5  58.705   3.326  -3.094
   36   HD11  LEU   5          HD11      LEU   5  58.714   3.745  -0.522
   37   HD12  LEU   5          HD12      LEU   5  58.358   2.104  -1.100
   38   HD13  LEU   5          HD13      LEU   5  57.037   3.155  -0.555
   39   HD21  LEU   5          HD21      LEU   5  56.691   2.017  -3.302
   40   HD22  LEU   5          HD22      LEU   5  56.386   3.576  -4.102
   41   HD23  LEU   5          HD23      LEU   5  55.716   3.260  -2.484
   42    H    ILE   6           HN       ILE   6  55.354   7.751  -3.203
   43    HA   ILE   6           HA       ILE   6  55.896   9.720  -1.078
   44    HB   ILE   6           HB       ILE   6  57.203  11.270  -2.605
   45   HG12  ILE   6          HG12      ILE   6  57.399   8.779  -4.357
   46   HG13  ILE   6          HG11      ILE   6  56.545  10.286  -4.765
   47   HG21  ILE   6          HG21      ILE   6  58.714   8.653  -2.293
   48   HG22  ILE   6          HG22      ILE   6  58.291   9.689  -0.907
   49   HG23  ILE   6          HG23      ILE   6  59.344  10.314  -2.195
   50   HD11  ILE   6           HD1      ILE   6  58.845  11.455  -4.388
   51   HD12  ILE   6           HD2      ILE   6  58.633  10.495  -5.872
   52   HD13  ILE   6           HD3      ILE   6  59.533   9.816  -4.496
   53    H    LYS   7           HN       LYS   7  55.677  12.015  -2.877
   54    HA   LYS   7           HA       LYS   7  53.798  13.258  -3.463
   55    HB2  LYS   7           HB2      LYS   7  53.100  10.608  -4.823
   56    HB3  LYS   7           HB1      LYS   7  52.016  12.012  -4.894
   57    HG2  LYS   7           HG2      LYS   7  53.900  13.369  -5.843
   58    HG3  LYS   7           HG1      LYS   7  54.899  11.895  -5.870
   59    HD2  LYS   7           HD2      LYS   7  53.108  10.804  -7.291
   60    HD3  LYS   7           HD1      LYS   7  52.307  12.391  -7.392
   61    HE2  LYS   7           HE2      LYS   7  54.271  13.375  -8.452
   62    HE3  LYS   7           HE1      LYS   7  55.192  11.867  -8.228
   63    HZ1  LYS   7           HZ1      LYS   7  54.145  12.251 -10.488
   64    HZ2  LYS   7           HZ2      LYS   7  52.645  11.950  -9.748
   65    HZ3  LYS   7           HZ3      LYS   7  53.846  10.748  -9.762
   66    H    GLY   8           HN       GLY   8  54.435  11.680  -1.359
   67    HA2  GLY   8           HA1      GLY   8  53.904  10.710   0.527
   68    HA3  GLY   8           HA2      GLY   8  52.604  11.959   0.648
   69    H    ALA   9           HN       ALA   9  53.308   8.938  -1.134
   70    HA   ALA   9           HA       ALA   9  52.060   7.034  -1.492
   71    HB1  ALA   9           HB1      ALA   9  50.402   7.840   0.912
   72    HB2  ALA   9           HB2      ALA   9  52.026   7.126   1.047
   73    HB3  ALA   9           HB3      ALA   9  50.709   6.205   0.282
   74    H    ILE  10           HN       ILE  10  51.011   9.983  -2.119
   75    HA   ILE  10           HA       ILE  10  48.783   9.029  -3.736
   76    HB   ILE  10           HB       ILE  10  47.222  10.934  -2.500
   77   HG12  ILE  10          HG12      ILE  10  48.652   9.582  -0.172
   78   HG13  ILE  10          HG11      ILE  10  49.112  11.188  -0.772
   79   HG21  ILE  10          HG21      ILE  10  46.724   8.422  -2.985
   80   HG22  ILE  10          HG22      ILE  10  45.869   9.205  -1.644
   81   HG23  ILE  10          HG23      ILE  10  47.243   8.138  -1.309
   82   HD11  ILE  10           HD1      ILE  10  47.561  11.485   1.071
   83   HD12  ILE  10           HD2      ILE  10  46.400  10.353   0.341
   84   HD13  ILE  10           HD3      ILE  10  46.717  11.926  -0.431
   85    H    HIS  11           HN       HIS  11  48.739  12.213  -2.234
   86    HA   HIS  11           HA       HIS  11  50.192  13.428  -4.540
   87    HB2  HIS  11           HB2      HIS  11  47.732  13.269  -5.134
   88    HB3  HIS  11           HB1      HIS  11  47.397  14.322  -3.738
   89    HD1  HIS  11           HD1      HIS  11  50.600  14.989  -5.513
   90    HD2  HIS  11           HD2      HIS  11  46.628  16.362  -5.690
   91    HE1  HIS  11           HE1      HIS  11  50.599  17.141  -6.890
   92    H    GLY  12           HN       GLY  12  50.453  13.024  -1.529
   93    HA2  GLY  12           HA1      GLY  12  51.572  14.345   0.045
   94    HA3  GLY  12           HA2      GLY  12  51.328  15.775  -0.976
   95    H    GLY  13           HN       GLY  13  48.878  13.491   0.250
   96    HA2  GLY  13           HA1      GLY  13  47.175  13.813   1.795
   97    HA3  GLY  13           HA2      GLY  13  48.028  15.251   2.391
   98    H    ARG  14           HN       ARG  14  47.772  15.636  -0.889
   99    HA   ARG  14           HA       ARG  14  45.739  17.679  -0.584
  100    HB2  ARG  14           HB2      ARG  14  47.770  17.106  -2.429
  101    HB3  ARG  14           HB1      ARG  14  46.303  16.785  -3.372
  102    HG2  ARG  14           HG2      ARG  14  46.823  19.363  -1.810
  103    HG3  ARG  14           HG1      ARG  14  47.120  19.159  -3.550
  104    HD2  ARG  14           HD2      ARG  14  44.433  18.879  -2.134
  105    HD3  ARG  14           HD1      ARG  14  44.927  20.199  -3.219
  106    HE   ARG  14           HE       ARG  14  44.015  17.557  -4.050
  107   HH11  ARG  14          HH11      ARG  14  46.062  20.239  -4.761
  108   HH12  ARG  14          HH12      ARG  14  46.037  19.976  -6.472
  109   HH21  ARG  14          HH21      ARG  14  43.961  17.204  -6.282
  110   HH22  ARG  14          HH22      ARG  14  44.849  18.256  -7.333
  111    H    PHE  15           HN       PHE  15  45.662  14.301  -1.069
  112    HA   PHE  15           HA       PHE  15  43.248  14.110  -2.640
  113    HB2  PHE  15           HB2      PHE  15  44.867  12.238  -2.299
  114    HB3  PHE  15           HB1      PHE  15  44.360  12.149  -0.595
  115    HD1  PHE  15           HD1      PHE  15  43.412  11.458  -4.090
  116    HD2  PHE  15           HD2      PHE  15  42.063  11.443   0.009
  117    HE1  PHE  15           HE1      PHE  15  41.470  10.035  -4.735
  118    HE2  PHE  15           HE2      PHE  15  40.121  10.019  -0.635
  119    HZ   PHE  15           HZ       PHE  15  39.819   9.325  -3.008
  120    H    ILE  16           HN       ILE  16  43.950  14.368   0.835
  121    HA   ILE  16           HA       ILE  16  41.287  13.803   1.740
  122    HB   ILE  16           HB       ILE  16  43.401  15.579   3.038
  123   HG12  ILE  16          HG12      ILE  16  42.776  12.658   3.668
  124   HG13  ILE  16          HG11      ILE  16  43.972  13.093   2.428
  125   HG21  ILE  16          HG21      ILE  16  41.244  15.982   4.049
  126   HG22  ILE  16          HG22      ILE  16  42.111  14.872   5.131
  127   HG23  ILE  16          HG23      ILE  16  40.851  14.246   4.045
  128   HD11  ILE  16           HD1      ILE  16  45.066  14.574   4.273
  129   HD12  ILE  16           HD2      ILE  16  45.257  12.813   4.400
  130   HD13  ILE  16           HD3      ILE  16  44.064  13.648   5.416
  131    H    HIS  17           HN       HIS  17  42.668  17.049   2.344
  132    HA   HIS  17           HA       HIS  17  40.554  18.300   0.661
  133    HB2  HIS  17           HB2      HIS  17  39.552  17.769   2.976
  134    HB3  HIS  17           HB1      HIS  17  40.694  18.964   3.629
  135    HD1  HIS  17           HD1      HIS  17  40.491  21.466   2.650
  136    HD2  HIS  17           HD2      HIS  17  37.335  18.871   1.662
  137    HE1  HIS  17           HE1      HIS  17  38.538  22.911   1.859
  138    H    GLY  18           HN       GLY  18  43.582  18.020   1.306
  139    HA2  GLY  18           HA1      GLY  18  44.649  20.241   0.189
  140    HA3  GLY  18           HA2      GLY  18  44.347  20.821   1.847
  141    H    MET  19           HN       MET  19  44.855  18.936   3.465
  142    HA   MET  19           HA       MET  19  46.801  17.111   3.364
  143    HB2  MET  19           HB2      MET  19  48.432  18.542   2.259
  144    HB3  MET  19           HB1      MET  19  48.181  19.783   3.501
  145    HG2  MET  19           HG2      MET  19  49.516  18.659   5.047
  146    HG3  MET  19           HG1      MET  19  49.023  17.051   4.465
  147    HE1  MET  19           HE1      MET  19  50.592  20.333   3.190
  148    HE2  MET  19           HE2      MET  19  52.259  19.853   2.790
  149    HE3  MET  19           HE3      MET  19  51.696  19.792   4.477
  150    H    ILE  20           HN       ILE  20  44.567  18.474   4.641
  151    HA   ILE  20           HA       ILE  20  43.794  18.781   6.810
  152    HB   ILE  20           HB       ILE  20  46.216  17.066   7.588
  153   HG12  ILE  20          HG12      ILE  20  44.604  15.815   6.241
  154   HG13  ILE  20          HG11      ILE  20  44.506  15.277   7.928
  155   HG21  ILE  20          HG21      ILE  20  44.076  18.421   9.233
  156   HG22  ILE  20          HG22      ILE  20  45.786  18.125   9.609
  157   HG23  ILE  20          HG23      ILE  20  44.611  16.796   9.728
  158   HD11  ILE  20           HD1      ILE  20  42.569  17.116   8.071
  159   HD12  ILE  20           HD2      ILE  20  42.234  15.509   7.401
  160   HD13  ILE  20           HD3      ILE  20  42.514  16.884   6.310
  161    H    GLN  21           HN       GLN  21  46.661  19.707   5.436
  162    HA   GLN  21           HA       GLN  21  47.254  21.701   7.685
  163    HB2  GLN  21           HB2      GLN  21  49.094  20.094   6.907
  164    HB3  GLN  21           HB1      GLN  21  49.063  20.961   5.355
  165    HG2  GLN  21           HG2      GLN  21  50.780  22.008   6.670
  166    HG3  GLN  21           HG1      GLN  21  49.391  23.120   6.690
  167   HE21  GLN  21          HE21      GLN  21  51.037  20.548   8.626
  168   HE22  GLN  21          HE22      GLN  21  50.428  21.130  10.180
  169    H    ASN  22           HN       ASN  22  46.772  21.256   4.164
  170    HA   ASN  22           HA       ASN  22  46.763  24.205   3.763
  171    HB2  ASN  22           HB2      ASN  22  46.483  21.804   1.917
  172    HB3  ASN  22           HB1      ASN  22  46.222  23.473   1.360
  173   HD21  ASN  22          HD21      ASN  22  48.572  22.983   3.935
  174   HD22  ASN  22          HD22      ASN  22  50.003  23.199   2.924
  175    H    HIS  23           HN       HIS  23  44.631  21.514   4.330
  176    HA   HIS  23           HA       HIS  23  42.219  22.321   3.171
  177    HB2  HIS  23           HB2      HIS  23  42.497  20.249   4.469
  178    HB3  HIS  23           HB1      HIS  23  42.655  21.195   5.966
  179    HD1  HIS  23           HD1      HIS  23  40.261  23.030   4.095
  180    HD2  HIS  23           HD2      HIS  23  40.089  19.370   6.158
  181    HE1  HIS  23           HE1      HIS  23  37.805  22.574   4.633
  182    H    HIS  24           HN       HIS  24  43.177  23.124   6.547
  183    HA   HIS  24           HA       HIS  24  41.132  25.119   6.847
  184    HB2  HIS  24           HB2      HIS  24  43.766  24.723   8.320
  185    HB3  HIS  24           HB1      HIS  24  42.468  25.824   8.839
  186    HD1  HIS  24           HD1      HIS  24  41.942  22.356   7.331
  187    HD2  HIS  24           HD2      HIS  24  41.530  24.333  11.021
  188    HE1  HIS  24           HE1      HIS  24  40.733  20.761   8.917
  Start of MODEL   17
    1    H1   PHE   1           HT1      PHE   1  58.899   6.113   7.848
    2    H2   PHE   1           HT2      PHE   1  59.867   7.305   7.121
    3    H3   PHE   1           HT3      PHE   1  60.184   6.800   8.712
    4    HA   PHE   1           HA       PHE   1  61.749   5.886   7.125
    5    HB2  PHE   1           HB2      PHE   1  61.408   3.485   7.825
    6    HB3  PHE   1           HB1      PHE   1  61.367   4.653   9.167
    7    HD1  PHE   1           HD1      PHE   1  59.298   2.490   6.951
    8    HD2  PHE   1           HD2      PHE   1  59.318   5.093  10.395
    9    HE1  PHE   1           HE1      PHE   1  57.005   1.720   7.547
   10    HE2  PHE   1           HE2      PHE   1  57.026   4.322  10.991
   11    HZ   PHE   1           HZ       PHE   1  55.866   2.639   9.565
   12    H    LEU   2           HN       LEU   2  58.832   6.380   5.869
   13    HA   LEU   2           HA       LEU   2  58.448   4.091   4.145
   14    HB2  LEU   2           HB2      LEU   2  57.493   6.973   4.108
   15    HB3  LEU   2           HB1      LEU   2  57.104   5.859   2.778
   16    HG   LEU   2           HG       LEU   2  55.994   4.324   4.313
   17   HD11  LEU   2          HD11      LEU   2  55.712   5.123   6.760
   18   HD12  LEU   2          HD12      LEU   2  57.082   6.213   6.437
   19   HD13  LEU   2          HD13      LEU   2  57.295   4.449   6.310
   20   HD21  LEU   2          HD21      LEU   2  54.672   6.224   3.447
   21   HD22  LEU   2          HD22      LEU   2  55.186   7.222   4.827
   22   HD23  LEU   2          HD23      LEU   2  54.149   5.800   5.094
   23    H    GLY   3           HN       GLY   3  58.512   4.325   1.702
   24    HA2  GLY   3           HA1      GLY   3  60.225   6.095   0.355
   25    HA3  GLY   3           HA2      GLY   3  61.255   4.770   0.935
   26    H    ALA   4           HN       ALA   4  58.098   5.291  -0.697
   27    HA   ALA   4           HA       ALA   4  58.920   3.546  -2.906
   28    HB1  ALA   4           HB1      ALA   4  58.239   1.921  -1.120
   29    HB2  ALA   4           HB2      ALA   4  57.247   1.834  -2.595
   30    HB3  ALA   4           HB3      ALA   4  56.617   2.649  -1.143
   31    H    LEU   5           HN       LEU   5  55.814   4.443  -1.328
   32    HA   LEU   5           HA       LEU   5  54.608   5.173  -3.852
   33    HB2  LEU   5           HB2      LEU   5  53.686   6.162  -1.133
   34    HB3  LEU   5           HB1      LEU   5  52.709   5.798  -2.574
   35    HG   LEU   5           HG       LEU   5  54.195   3.797  -0.814
   36   HD11  LEU   5          HD11      LEU   5  51.955   2.978  -0.292
   37   HD12  LEU   5          HD12      LEU   5  51.229   4.126  -1.441
   38   HD13  LEU   5          HD13      LEU   5  52.018   4.726   0.037
   39   HD21  LEU   5          HD21      LEU   5  54.385   2.962  -3.058
   40   HD22  LEU   5          HD22      LEU   5  52.736   3.487  -3.473
   41   HD23  LEU   5          HD23      LEU   5  52.982   2.120  -2.359
   42    H    ILE   6           HN       ILE   6  55.459   7.217  -1.016
   43    HA   ILE   6           HA       ILE   6  55.857   9.532  -0.905
   44    HB   ILE   6           HB       ILE   6  57.439   9.317  -3.513
   45   HG12  ILE   6          HG12      ILE   6  58.171   7.932  -0.890
   46   HG13  ILE   6          HG11      ILE   6  57.834   7.136  -2.446
   47   HG21  ILE   6          HG21      ILE   6  58.923  10.814  -2.423
   48   HG22  ILE   6          HG22      ILE   6  58.347  10.361  -0.801
   49   HG23  ILE   6          HG23      ILE   6  57.320  11.348  -1.865
   50   HD11  ILE   6           HD1      ILE   6  60.180   8.932  -1.728
   51   HD12  ILE   6           HD2      ILE   6  59.755   8.555  -3.416
   52   HD13  ILE   6           HD3      ILE   6  60.216   7.248  -2.299
   53    H    LYS   7           HN       LYS   7  56.592  11.066  -3.489
   54    HA   LYS   7           HA       LYS   7  55.320  12.691  -4.579
   55    HB2  LYS   7           HB2      LYS   7  53.287  10.419  -4.910
   56    HB3  LYS   7           HB1      LYS   7  53.249  11.973  -5.778
   57    HG2  LYS   7           HG2      LYS   7  55.345  11.480  -6.898
   58    HG3  LYS   7           HG1      LYS   7  55.586  10.024  -5.905
   59    HD2  LYS   7           HD2      LYS   7  54.742   9.359  -8.103
   60    HD3  LYS   7           HD1      LYS   7  53.490   9.053  -6.878
   61    HE2  LYS   7           HE2      LYS   7  52.179  10.895  -7.580
   62    HE3  LYS   7           HE1      LYS   7  53.545  11.677  -8.413
   63    HZ1  LYS   7           HZ1      LYS   7  52.336   9.087  -9.241
   64    HZ2  LYS   7           HZ2      LYS   7  53.517   9.978 -10.074
   65    HZ3  LYS   7           HZ3      LYS   7  51.939  10.589  -9.923
   66    H    GLY   8           HN       GLY   8  55.437  11.847  -2.011
   67    HA2  GLY   8           HA1      GLY   8  54.582  11.771   0.035
   68    HA3  GLY   8           HA2      GLY   8  54.167  13.492  -0.324
   69    H    ALA   9           HN       ALA   9  53.068  10.188  -0.081
   70    HA   ALA   9           HA       ALA   9  50.978   9.265   0.164
   71    HB1  ALA   9           HB1      ALA   9  50.913  11.040   1.982
   72    HB2  ALA   9           HB2      ALA   9  49.329  10.499   1.376
   73    HB3  ALA   9           HB3      ALA   9  50.005  12.058   0.840
   74    H    ILE  10           HN       ILE  10  51.668   9.777  -2.409
   75    HA   ILE  10           HA       ILE  10  50.685   9.751  -4.484
   76    HB   ILE  10           HB       ILE  10  48.442   9.240  -2.810
   77   HG12  ILE  10          HG12      ILE  10  48.558   9.265  -5.861
   78   HG13  ILE  10          HG11      ILE  10  49.171   7.960  -4.819
   79   HG21  ILE  10          HG21      ILE  10  47.739  11.657  -3.168
   80   HG22  ILE  10          HG22      ILE  10  46.564  10.447  -3.702
   81   HG23  ILE  10          HG23      ILE  10  47.582  11.281  -4.898
   82   HD11  ILE  10           HD1      ILE  10  47.027   7.169  -5.383
   83   HD12  ILE  10           HD2      ILE  10  46.304   8.792  -5.345
   84   HD13  ILE  10           HD3      ILE  10  46.718   7.964  -3.823
   85    H    HIS  11           HN       HIS  11  49.725  12.367  -2.306
   86    HA   HIS  11           HA       HIS  11  50.868  14.405  -3.967
   87    HB2  HIS  11           HB2      HIS  11  48.928  13.967  -5.437
   88    HB3  HIS  11           HB1      HIS  11  47.825  14.187  -4.059
   89    HD1  HIS  11           HD1      HIS  11  47.361  16.579  -3.228
   90    HD2  HIS  11           HD2      HIS  11  50.146  16.393  -6.376
   91    HE1  HIS  11           HE1      HIS  11  47.735  18.968  -4.056
   92    H    GLY  12           HN       GLY  12  49.415  13.109  -1.267
   93    HA2  GLY  12           HA1      GLY  12  50.099  14.431   0.816
   94    HA3  GLY  12           HA2      GLY  12  49.166  15.772   0.115
   95    H    GLY  13           HN       GLY  13  48.061  12.537  -0.467
   96    HA2  GLY  13           HA1      GLY  13  46.191  11.398   0.283
   97    HA3  GLY  13           HA2      GLY  13  46.443  12.172   1.863
   98    H    ARG  14           HN       ARG  14  45.169  12.759  -1.427
   99    HA   ARG  14           HA       ARG  14  42.748  13.943  -0.295
  100    HB2  ARG  14           HB2      ARG  14  44.214  15.879  -0.036
  101    HB3  ARG  14           HB1      ARG  14  44.760  15.733  -1.719
  102    HG2  ARG  14           HG2      ARG  14  43.033  17.520  -1.411
  103    HG3  ARG  14           HG1      ARG  14  42.505  16.260  -2.544
  104    HD2  ARG  14           HD2      ARG  14  40.981  15.330  -0.986
  105    HD3  ARG  14           HD1      ARG  14  41.802  16.077   0.406
  106    HE   ARG  14           HE       ARG  14  40.555  18.047   0.008
  107   HH11  ARG  14          HH11      ARG  14  38.740  15.921  -1.442
  108   HH12  ARG  14          HH12      ARG  14  38.313  16.830  -2.852
  109   HH21  ARG  14          HH21      ARG  14  40.757  19.241  -2.364
  110   HH22  ARG  14          HH22      ARG  14  39.455  18.709  -3.374
  111    H    PHE  15           HN       PHE  15  44.828  13.092  -3.007
  112    HA   PHE  15           HA       PHE  15  43.217  13.674  -5.207
  113    HB2  PHE  15           HB2      PHE  15  45.491  12.488  -5.160
  114    HB3  PHE  15           HB1      PHE  15  44.589  10.985  -4.856
  115    HD1  PHE  15           HD1      PHE  15  45.602  13.429  -7.366
  116    HD2  PHE  15           HD2      PHE  15  42.816  10.243  -6.520
  117    HE1  PHE  15           HE1      PHE  15  45.111  13.213  -9.799
  118    HE2  PHE  15           HE2      PHE  15  42.325  10.027  -8.953
  119    HZ   PHE  15           HZ       PHE  15  43.431  11.549 -10.586
  120    H    ILE  16           HN       ILE  16  43.020  10.759  -3.115
  121    HA   ILE  16           HA       ILE  16  40.506   9.939  -4.448
  122    HB   ILE  16           HB       ILE  16  41.796   8.713  -1.973
  123   HG12  ILE  16          HG12      ILE  16  43.327   8.860  -4.074
  124   HG13  ILE  16          HG11      ILE  16  43.100   7.268  -3.331
  125   HG21  ILE  16          HG21      ILE  16  40.583   6.662  -2.888
  126   HG22  ILE  16          HG22      ILE  16  39.750   7.758  -4.012
  127   HG23  ILE  16          HG23      ILE  16  39.543   7.959  -2.254
  128   HD11  ILE  16           HD1      ILE  16  42.938   7.324  -5.876
  129   HD12  ILE  16           HD2      ILE  16  41.430   8.241  -5.691
  130   HD13  ILE  16           HD3      ILE  16  41.548   6.588  -5.048
  131    H    HIS  17           HN       HIS  17  41.247  10.068  -0.917
  132    HA   HIS  17           HA       HIS  17  39.093  12.047  -0.508
  133    HB2  HIS  17           HB2      HIS  17  38.764   9.141   0.326
  134    HB3  HIS  17           HB1      HIS  17  37.829  10.474   1.040
  135    HD1  HIS  17           HD1      HIS  17  36.821  12.166  -1.073
  136    HD2  HIS  17           HD2      HIS  17  37.237   8.027  -1.679
  137    HE1  HIS  17           HE1      HIS  17  35.350  11.536  -3.064
  138    H    GLY  18           HN       GLY  18  42.045  11.035   0.114
  139    HA2  GLY  18           HA1      GLY  18  43.526  11.355   1.857
  140    HA3  GLY  18           HA2      GLY  18  42.363  12.538   2.500
  141    H    MET  19           HN       MET  19  42.267   9.055   1.938
  142    HA   MET  19           HA       MET  19  42.578   8.284   4.668
  143    HB2  MET  19           HB2      MET  19  40.396   7.562   5.177
  144    HB3  MET  19           HB1      MET  19  40.519   9.307   4.999
  145    HG2  MET  19           HG2      MET  19  39.706   8.914   2.546
  146    HG3  MET  19           HG1      MET  19  39.190   7.320   3.146
  147    HE1  MET  19           HE1      MET  19  35.696   8.555   3.341
  148    HE2  MET  19           HE2      MET  19  36.763   7.131   3.338
  149    HE3  MET  19           HE3      MET  19  36.918   8.361   2.061
  150    H    ILE  20           HN       ILE  20  41.383   7.726   1.407
  151    HA   ILE  20           HA       ILE  20  41.721   4.795   1.659
  152    HB   ILE  20           HB       ILE  20  41.412   6.755  -0.667
  153   HG12  ILE  20          HG12      ILE  20  39.523   5.337  -1.247
  154   HG13  ILE  20          HG11      ILE  20  40.037   4.091  -0.087
  155   HG21  ILE  20          HG21      ILE  20  41.723   4.699  -2.198
  156   HG22  ILE  20          HG22      ILE  20  42.510   3.916  -0.807
  157   HG23  ILE  20          HG23      ILE  20  43.206   5.396  -1.505
  158   HD11  ILE  20           HD1      ILE  20  38.118   5.693   0.630
  159   HD12  ILE  20           HD2      ILE  20  39.397   6.916   0.825
  160   HD13  ILE  20           HD3      ILE  20  39.443   5.418   1.786
  161    H    GLN  21           HN       GLN  21  43.382   7.617   1.889
  162    HA   GLN  21           HA       GLN  21  46.049   6.367   1.485
  163    HB2  GLN  21           HB2      GLN  21  45.413   8.073  -0.302
  164    HB3  GLN  21           HB1      GLN  21  45.367   9.290   0.995
  165    HG2  GLN  21           HG2      GLN  21  47.567   9.394   0.006
  166    HG3  GLN  21           HG1      GLN  21  47.748   8.600   1.586
  167   HE21  GLN  21          HE21      GLN  21  46.848   7.526  -1.782
  168   HE22  GLN  21          HE22      GLN  21  47.947   6.142  -1.770
  169    H    ASN  22           HN       ASN  22  43.763   8.422   3.565
  170    HA   ASN  22           HA       ASN  22  46.181   8.844   5.381
  171    HB2  ASN  22           HB2      ASN  22  44.414  10.711   4.647
  172    HB3  ASN  22           HB1      ASN  22  43.456  10.009   5.972
  173   HD21  ASN  22          HD21      ASN  22  44.949  12.695   5.730
  174   HD22  ASN  22          HD22      ASN  22  45.978  12.724   7.166
  175    H    HIS  23           HN       HIS  23  43.898   6.549   4.817
  176    HA   HIS  23           HA       HIS  23  42.929   4.894   6.128
  177    HB2  HIS  23           HB2      HIS  23  45.349   4.507   6.609
  178    HB3  HIS  23           HB1      HIS  23  45.208   5.571   8.030
  179    HD1  HIS  23           HD1      HIS  23  43.416   2.469   6.607
  180    HD2  HIS  23           HD2      HIS  23  44.563   4.141  10.293
  181    HE1  HIS  23           HE1      HIS  23  42.721   0.827   8.439
  182    H    HIS  24           HN       HIS  24  40.952   5.601   6.763
  183    HA   HIS  24           HA       HIS  24  40.585   7.657   8.765
  184    HB2  HIS  24           HB2      HIS  24  38.206   6.924   8.711
  185    HB3  HIS  24           HB1      HIS  24  38.871   7.193   7.082
  186    HD1  HIS  24           HD1      HIS  24  38.936   5.233   5.477
  187    HD2  HIS  24           HD2      HIS  24  37.927   4.110   9.402
  188    HE1  HIS  24           HE1      HIS  24  38.263   2.768   5.416
  Start of MODEL   18
    1    H1   PHE   1           HT1      PHE   1  59.177   0.387 -11.025
    2    H2   PHE   1           HT2      PHE   1  58.792  -0.466  -9.606
    3    H3   PHE   1           HT3      PHE   1  59.344   1.138  -9.515
    4    HA   PHE   1           HA       PHE   1  57.289   1.539 -11.060
    5    HB2  PHE   1           HB2      PHE   1  56.544  -0.850  -9.324
    6    HB3  PHE   1           HB1      PHE   1  55.416   0.120 -10.300
    7    HD1  PHE   1           HD1      PHE   1  58.227  -2.303 -10.408
    8    HD2  PHE   1           HD2      PHE   1  55.374  -0.050 -12.735
    9    HE1  PHE   1           HE1      PHE   1  58.764  -3.688 -12.408
   10    HE2  PHE   1           HE2      PHE   1  55.913  -1.435 -14.735
   11    HZ   PHE   1           HZ       PHE   1  57.656  -3.209 -14.588
   12    H    LEU   2           HN       LEU   2  59.030   2.226  -8.673
   13    HA   LEU   2           HA       LEU   2  57.209   2.732  -6.465
   14    HB2  LEU   2           HB2      LEU   2  59.789   4.234  -7.022
   15    HB3  LEU   2           HB1      LEU   2  59.031   3.876  -5.453
   16    HG   LEU   2           HG       LEU   2  60.255   1.838  -7.367
   17   HD11  LEU   2          HD11      LEU   2  61.892   3.251  -6.133
   18   HD12  LEU   2          HD12      LEU   2  61.931   1.558  -5.583
   19   HD13  LEU   2          HD13      LEU   2  61.111   2.794  -4.599
   20   HD21  LEU   2          HD21      LEU   2  58.760   1.572  -4.725
   21   HD22  LEU   2          HD22      LEU   2  59.877   0.315  -5.308
   22   HD23  LEU   2          HD23      LEU   2  58.438   0.736  -6.264
   23    H    GLY   3           HN       GLY   3  56.196   4.622  -5.834
   24    HA2  GLY   3           HA1      GLY   3  56.468   7.165  -6.955
   25    HA3  GLY   3           HA2      GLY   3  55.315   6.320  -8.007
   26    H    ALA   4           HN       ALA   4  54.014   4.717  -6.095
   27    HA   ALA   4           HA       ALA   4  52.167   6.692  -5.024
   28    HB1  ALA   4           HB1      ALA   4  52.335   3.707  -4.486
   29    HB2  ALA   4           HB2      ALA   4  51.482   4.452  -5.860
   30    HB3  ALA   4           HB3      ALA   4  50.934   4.765  -4.195
   31    H    LEU   5           HN       LEU   5  54.888   4.850  -3.784
   32    HA   LEU   5           HA       LEU   5  54.253   5.179  -0.981
   33    HB2  LEU   5           HB2      LEU   5  56.781   4.542  -2.538
   34    HB3  LEU   5           HB1      LEU   5  56.822   4.763  -0.773
   35    HG   LEU   5           HG       LEU   5  55.212   2.961  -0.453
   36   HD11  LEU   5          HD11      LEU   5  54.540   1.603  -2.550
   37   HD12  LEU   5          HD12      LEU   5  55.056   3.023  -3.492
   38   HD13  LEU   5          HD13      LEU   5  53.729   3.167  -2.313
   39   HD21  LEU   5          HD21      LEU   5  57.354   2.155  -2.473
   40   HD22  LEU   5          HD22      LEU   5  56.542   1.068  -1.322
   41   HD23  LEU   5          HD23      LEU   5  57.612   2.359  -0.725
   42    H    ILE   6           HN       ILE   6  55.759   7.198  -3.427
   43    HA   ILE   6           HA       ILE   6  56.165   9.354  -1.313
   44    HB   ILE   6           HB       ILE   6  57.811   9.396  -3.888
   45   HG12  ILE   6          HG12      ILE   6  58.055   7.033  -3.040
   46   HG13  ILE   6          HG11      ILE   6  59.558   7.969  -3.014
   47   HG21  ILE   6          HG21      ILE   6  58.315  10.190  -0.980
   48   HG22  ILE   6          HG22      ILE   6  58.005  11.273  -2.353
   49   HG23  ILE   6          HG23      ILE   6  59.515  10.337  -2.284
   50   HD11  ILE   6           HD1      ILE   6  58.943   6.542  -0.906
   51   HD12  ILE   6           HD2      ILE   6  57.799   7.853  -0.545
   52   HD13  ILE   6           HD3      ILE   6  59.538   8.199  -0.664
   53    H    LYS   7           HN       LYS   7  56.977  11.077  -3.773
   54    HA   LYS   7           HA       LYS   7  55.744  12.805  -4.743
   55    HB2  LYS   7           HB2      LYS   7  53.600  10.670  -5.227
   56    HB3  LYS   7           HB1      LYS   7  53.727  12.236  -6.057
   57    HG2  LYS   7           HG2      LYS   7  56.033  10.254  -6.162
   58    HG3  LYS   7           HG1      LYS   7  54.644  10.060  -7.252
   59    HD2  LYS   7           HD2      LYS   7  55.878  12.819  -7.091
   60    HD3  LYS   7           HD1      LYS   7  56.814  11.560  -7.923
   61    HE2  LYS   7           HE2      LYS   7  55.325  12.849  -9.470
   62    HE3  LYS   7           HE1      LYS   7  54.951  11.110  -9.443
   63    HZ1  LYS   7           HZ1      LYS   7  52.966  12.538  -9.308
   64    HZ2  LYS   7           HZ2      LYS   7  53.529  13.176  -7.837
   65    HZ3  LYS   7           HZ3      LYS   7  53.130  11.529  -7.956
   66    H    GLY   8           HN       GLY   8  55.822  11.768  -2.245
   67    HA2  GLY   8           HA1      GLY   8  54.933  11.547  -0.218
   68    HA3  GLY   8           HA2      GLY   8  54.574  13.303  -0.446
   69    H    ALA   9           HN       ALA   9  53.370  10.089  -0.220
   70    HA   ALA   9           HA       ALA   9  51.262   9.156  -0.345
   71    HB1  ALA   9           HB1      ALA   9  49.653  10.234   1.149
   72    HB2  ALA   9           HB2      ALA   9  50.592  11.745   1.098
   73    HB3  ALA   9           HB3      ALA   9  51.285  10.292   1.856
   74    H    ILE  10           HN       ILE  10  51.859  10.252  -2.747
   75    HA   ILE  10           HA       ILE  10  51.019  11.395  -4.599
   76    HB   ILE  10           HB       ILE  10  48.457  10.607  -4.974
   77   HG12  ILE  10          HG12      ILE  10  49.488   8.727  -2.791
   78   HG13  ILE  10          HG11      ILE  10  48.164   9.894  -2.600
   79   HG21  ILE  10          HG21      ILE  10  50.525   9.779  -6.180
   80   HG22  ILE  10          HG22      ILE  10  49.288   8.532  -5.929
   81   HG23  ILE  10          HG23      ILE  10  50.730   8.573  -4.888
   82   HD11  ILE  10           HD1      ILE  10  46.987   7.919  -3.080
   83   HD12  ILE  10           HD2      ILE  10  48.225   7.337  -4.215
   84   HD13  ILE  10           HD3      ILE  10  47.125   8.652  -4.696
   85    H    HIS  11           HN       HIS  11  47.770  11.443  -3.298
   86    HA   HIS  11           HA       HIS  11  47.374  14.163  -3.893
   87    HB2  HIS  11           HB2      HIS  11  45.384  14.017  -2.452
   88    HB3  HIS  11           HB1      HIS  11  45.541  12.578  -3.487
   89    HD1  HIS  11           HD1      HIS  11  47.193  13.458  -0.121
   90    HD2  HIS  11           HD2      HIS  11  44.774  10.485  -1.851
   91    HE1  HIS  11           HE1      HIS  11  46.881  11.618   1.624
   92    H    GLY  12           HN       GLY  12  49.473  12.942  -1.531
   93    HA2  GLY  12           HA1      GLY  12  48.937  14.807   0.603
   94    HA3  GLY  12           HA2      GLY  12  50.475  13.976   0.303
   95    H    GLY  13           HN       GLY  13  49.709  15.349  -2.537
   96    HA2  GLY  13           HA1      GLY  13  50.331  18.129  -2.084
   97    HA3  GLY  13           HA2      GLY  13  51.772  17.227  -2.601
   98    H    ARG  14           HN       ARG  14  49.691  15.356  -4.005
   99    HA   ARG  14           HA       ARG  14  49.845  16.799  -6.581
  100    HB2  ARG  14           HB2      ARG  14  50.429  14.421  -6.501
  101    HB3  ARG  14           HB1      ARG  14  48.836  14.024  -5.823
  102    HG2  ARG  14           HG2      ARG  14  48.979  13.563  -8.277
  103    HG3  ARG  14           HG1      ARG  14  47.726  14.759  -7.890
  104    HD2  ARG  14           HD2      ARG  14  48.992  16.550  -8.768
  105    HD3  ARG  14           HD1      ARG  14  50.532  15.668  -8.611
  106    HE   ARG  14           HE       ARG  14  48.836  14.272 -10.452
  107   HH11  ARG  14          HH11      ARG  14  49.868  14.212 -12.511
  108   HH12  ARG  14          HH12      ARG  14  50.541  15.683 -13.131
  109   HH21  ARG  14          HH21      ARG  14  50.044  17.460 -10.195
  110   HH22  ARG  14          HH22      ARG  14  50.640  17.522 -11.821
  111    H    PHE  15           HN       PHE  15  47.550  16.195  -4.042
  112    HA   PHE  15           HA       PHE  15  45.075  16.114  -5.233
  113    HB2  PHE  15           HB2      PHE  15  45.650  16.357  -2.749
  114    HB3  PHE  15           HB1      PHE  15  45.692  18.113  -3.028
  115    HD1  PHE  15           HD1      PHE  15  43.514  15.086  -3.559
  116    HD2  PHE  15           HD2      PHE  15  43.667  19.357  -2.948
  117    HE1  PHE  15           HE1      PHE  15  41.030  15.153  -3.390
  118    HE2  PHE  15           HE2      PHE  15  41.183  19.422  -2.778
  119    HZ   PHE  15           HZ       PHE  15  39.873  17.308  -2.919
  120    H    ILE  16           HN       ILE  16  47.369  18.753  -5.427
  121    HA   ILE  16           HA       ILE  16  45.460  20.192  -7.243
  122    HB   ILE  16           HB       ILE  16  47.208  21.696  -5.245
  123   HG12  ILE  16          HG12      ILE  16  44.254  20.955  -5.015
  124   HG13  ILE  16          HG11      ILE  16  45.566  20.321  -3.995
  125   HG21  ILE  16          HG21      ILE  16  45.899  23.595  -5.920
  126   HG22  ILE  16          HG22      ILE  16  44.710  22.568  -6.754
  127   HG23  ILE  16          HG23      ILE  16  46.349  22.757  -7.421
  128   HD11  ILE  16           HD1      ILE  16  44.453  23.143  -4.110
  129   HD12  ILE  16           HD2      ILE  16  46.077  22.823  -3.452
  130   HD13  ILE  16           HD3      ILE  16  44.647  22.081  -2.698
  131    H    HIS  17           HN       HIS  17  48.727  20.982  -5.929
  132    HA   HIS  17           HA       HIS  17  50.059  20.116  -8.367
  133    HB2  HIS  17           HB2      HIS  17  48.921  22.189  -9.189
  134    HB3  HIS  17           HB1      HIS  17  49.771  23.117  -7.929
  135    HD1  HIS  17           HD1      HIS  17  51.573  20.260  -9.571
  136    HD2  HIS  17           HD2      HIS  17  51.312  24.438  -9.988
  137    HE1  HIS  17           HE1      HIS  17  53.509  20.996 -11.067
  138    H    GLY  18           HN       GLY  18  50.927  19.126  -6.281
  139    HA2  GLY  18           HA1      GLY  18  52.718  18.973  -4.822
  140    HA3  GLY  18           HA2      GLY  18  53.464  20.313  -5.702
  141    H    MET  19           HN       MET  19  50.557  19.912  -3.724
  142    HA   MET  19           HA       MET  19  49.779  21.436  -2.222
  143    HB2  MET  19           HB2      MET  19  51.731  19.875  -1.165
  144    HB3  MET  19           HB1      MET  19  52.206  21.496  -0.630
  145    HG2  MET  19           HG2      MET  19  49.584  20.048  -0.078
  146    HG3  MET  19           HG1      MET  19  50.807  20.574   1.101
  147    HE1  MET  19           HE1      MET  19  47.352  21.348   0.615
  148    HE2  MET  19           HE2      MET  19  47.583  22.695   1.755
  149    HE3  MET  19           HE3      MET  19  48.403  21.140   2.036
  150    H    ILE  20           HN       ILE  20  51.111  22.717  -4.442
  151    HA   ILE  20           HA       ILE  20  51.726  24.892  -4.970
  152    HB   ILE  20           HB       ILE  20  50.266  25.503  -2.344
  153   HG12  ILE  20          HG12      ILE  20  48.584  26.471  -3.916
  154   HG13  ILE  20          HG11      ILE  20  49.584  25.937  -5.287
  155   HG21  ILE  20          HG21      ILE  20  51.638  27.351  -4.331
  156   HG22  ILE  20          HG22      ILE  20  51.847  27.284  -2.565
  157   HG23  ILE  20          HG23      ILE  20  50.335  27.911  -3.257
  158   HD11  ILE  20           HD1      ILE  20  49.150  23.651  -4.881
  159   HD12  ILE  20           HD2      ILE  20  47.592  24.412  -4.489
  160   HD13  ILE  20           HD3      ILE  20  48.698  23.934  -3.181
  161    H    GLN  21           HN       GLN  21  52.660  23.092  -2.285
  162    HA   GLN  21           HA       GLN  21  54.970  24.974  -1.625
  163    HB2  GLN  21           HB2      GLN  21  53.447  23.865   0.192
  164    HB3  GLN  21           HB1      GLN  21  54.328  22.369  -0.191
  165    HG2  GLN  21           HG2      GLN  21  56.485  23.560   0.245
  166    HG3  GLN  21           HG1      GLN  21  55.562  25.006   0.720
  167   HE21  GLN  21          HE21      GLN  21  57.316  23.672   2.569
  168   HE22  GLN  21          HE22      GLN  21  56.313  22.945   3.830
  169    H    ASN  22           HN       ASN  22  54.201  21.552  -2.396
  170    HA   ASN  22           HA       ASN  22  56.993  20.940  -3.005
  171    HB2  ASN  22           HB2      ASN  22  54.311  19.545  -3.162
  172    HB3  ASN  22           HB1      ASN  22  55.638  18.908  -4.167
  173   HD21  ASN  22          HD21      ASN  22  54.171  18.412  -1.236
  174   HD22  ASN  22          HD22      ASN  22  55.561  17.838  -0.309
  175    H    HIS  23           HN       HIS  23  54.139  22.278  -4.545
  176    HA   HIS  23           HA       HIS  23  53.839  23.123  -6.691
  177    HB2  HIS  23           HB2      HIS  23  55.890  24.408  -6.106
  178    HB3  HIS  23           HB1      HIS  23  56.879  23.121  -6.837
  179    HD1  HIS  23           HD1      HIS  23  55.751  22.459  -9.435
  180    HD2  HIS  23           HD2      HIS  23  55.617  26.402  -7.980
  181    HE1  HIS  23           HE1      HIS  23  55.388  24.000 -11.442
  182    H    HIS  24           HN       HIS  24  56.884  21.394  -7.413
  183    HA   HIS  24           HA       HIS  24  55.803  20.209  -9.793
  184    HB2  HIS  24           HB2      HIS  24  57.865  18.775  -9.693
  185    HB3  HIS  24           HB1      HIS  24  58.196  20.519  -9.544
  186    HD1  HIS  24           HD1      HIS  24  59.497  21.259  -7.535
  187    HD2  HIS  24           HD2      HIS  24  57.729  17.487  -6.974
  188    HE1  HIS  24           HE1      HIS  24  60.345  20.346  -5.304
  Start of MODEL   19
    1    H1   PHE   1           HT1      PHE   1  54.456   0.139  -8.192
    2    H2   PHE   1           HT2      PHE   1  54.454  -1.021  -6.951
    3    H3   PHE   1           HT3      PHE   1  53.778  -1.389  -8.466
    4    HA   PHE   1           HA       PHE   1  55.992  -2.368  -8.033
    5    HB2  PHE   1           HB2      PHE   1  55.708  -0.440 -10.374
    6    HB3  PHE   1           HB1      PHE   1  56.819  -1.829 -10.292
    7    HD1  PHE   1           HD1      PHE   1  53.265  -0.780 -10.521
    8    HD2  PHE   1           HD2      PHE   1  55.998  -4.121 -10.472
    9    HE1  PHE   1           HE1      PHE   1  51.443  -2.282 -11.317
   10    HE2  PHE   1           HE2      PHE   1  54.175  -5.623 -11.267
   11    HZ   PHE   1           HZ       PHE   1  51.925  -4.682 -11.779
   12    H    LEU   2           HN       LEU   2  55.614   1.047  -7.642
   13    HA   LEU   2           HA       LEU   2  58.422   1.755  -7.794
   14    HB2  LEU   2           HB2      LEU   2  56.305   3.210  -6.175
   15    HB3  LEU   2           HB1      LEU   2  57.754   3.880  -6.964
   16    HG   LEU   2           HG       LEU   2  55.317   2.698  -8.369
   17   HD11  LEU   2          HD11      LEU   2  54.944   4.940  -7.400
   18   HD12  LEU   2          HD12      LEU   2  55.021   5.030  -9.176
   19   HD13  LEU   2          HD13      LEU   2  56.418   5.538  -8.196
   20   HD21  LEU   2          HD21      LEU   2  56.555   3.696 -10.421
   21   HD22  LEU   2          HD22      LEU   2  57.195   2.179  -9.753
   22   HD23  LEU   2          HD23      LEU   2  58.001   3.723  -9.383
   23    H    GLY   3           HN       GLY   3  59.704   2.557  -5.958
   24    HA2  GLY   3           HA1      GLY   3  60.157   0.566  -4.039
   25    HA3  GLY   3           HA2      GLY   3  60.678   2.255  -3.883
   26    H    ALA   4           HN       ALA   4  58.301   3.613  -3.668
   27    HA   ALA   4           HA       ALA   4  56.587   2.344  -1.660
   28    HB1  ALA   4           HB1      ALA   4  57.150   3.900   0.167
   29    HB2  ALA   4           HB2      ALA   4  58.478   4.569  -0.813
   30    HB3  ALA   4           HB3      ALA   4  58.538   2.875  -0.267
   31    H    LEU   5           HN       LEU   5  55.125   4.122  -0.633
   32    HA   LEU   5           HA       LEU   5  53.958   5.574  -2.895
   33    HB2  LEU   5           HB2      LEU   5  53.258   5.250   0.042
   34    HB3  LEU   5           HB1      LEU   5  52.363   6.376  -1.006
   35    HG   LEU   5           HG       LEU   5  51.855   4.503  -2.565
   36   HD11  LEU   5          HD11      LEU   5  52.260   2.138  -1.546
   37   HD12  LEU   5          HD12      LEU   5  53.475   2.938  -0.519
   38   HD13  LEU   5          HD13      LEU   5  53.647   2.965  -2.291
   39   HD21  LEU   5          HD21      LEU   5  50.220   3.386  -1.110
   40   HD22  LEU   5          HD22      LEU   5  50.321   5.111  -0.681
   41   HD23  LEU   5          HD23      LEU   5  51.125   3.892   0.337
   42    H    ILE   6           HN       ILE   6  56.202   6.754  -3.048
   43    HA   ILE   6           HA       ILE   6  56.498   9.005  -1.123
   44    HB   ILE   6           HB       ILE   6  58.360   9.708  -2.605
   45   HG12  ILE   6          HG12      ILE   6  57.364   7.466  -4.430
   46   HG13  ILE   6          HG11      ILE   6  57.344   9.205  -4.796
   47   HG21  ILE   6          HG21      ILE   6  58.573   7.741  -0.964
   48   HG22  ILE   6          HG22      ILE   6  59.804   7.835  -2.243
   49   HG23  ILE   6          HG23      ILE   6  58.461   6.675  -2.383
   50   HD11  ILE   6           HD1      ILE   6  59.919   9.115  -4.400
   51   HD12  ILE   6           HD2      ILE   6  59.285   8.415  -5.906
   52   HD13  ILE   6           HD3      ILE   6  59.736   7.351  -4.553
   53    H    LYS   7           HN       LYS   7  57.293  10.931  -3.279
   54    HA   LYS   7           HA       LYS   7  56.170  12.827  -4.034
   55    HB2  LYS   7           HB2      LYS   7  55.233  11.118  -5.774
   56    HB3  LYS   7           HB1      LYS   7  53.798  11.029  -4.725
   57    HG2  LYS   7           HG2      LYS   7  53.456  13.458  -4.947
   58    HG3  LYS   7           HG1      LYS   7  54.925  13.588  -5.945
   59    HD2  LYS   7           HD2      LYS   7  53.870  11.962  -7.572
   60    HD3  LYS   7           HD1      LYS   7  52.368  12.074  -6.622
   61    HE2  LYS   7           HE2      LYS   7  52.250  14.491  -7.023
   62    HE3  LYS   7           HE1      LYS   7  53.810  14.450  -7.881
   63    HZ1  LYS   7           HZ1      LYS   7  52.682  12.752  -9.384
   64    HZ2  LYS   7           HZ2      LYS   7  52.204  14.373  -9.552
   65    HZ3  LYS   7           HZ3      LYS   7  51.217  13.276  -8.708
   66    H    GLY   8           HN       GLY   8  56.201  11.460  -1.699
   67    HA2  GLY   8           HA1      GLY   8  55.348  11.048   0.305
   68    HA3  GLY   8           HA2      GLY   8  55.076  12.833   0.308
   69    H    ALA   9           HN       ALA   9  53.673   9.730  -0.661
   70    HA   ALA   9           HA       ALA   9  51.542   8.900  -0.467
   71    HB1  ALA   9           HB1      ALA   9  50.001   9.808   1.058
   72    HB2  ALA   9           HB2      ALA   9  50.558  11.476   0.795
   73    HB3  ALA   9           HB3      ALA   9  51.564  10.335   1.717
   74    H    ILE  10           HN       ILE  10  51.870   9.214  -2.797
   75    HA   ILE  10           HA       ILE  10  51.385  10.187  -4.857
   76    HB   ILE  10           HB       ILE  10  48.881  10.261  -5.319
   77   HG12  ILE  10          HG12      ILE  10  48.372  10.744  -2.786
   78   HG13  ILE  10          HG11      ILE  10  47.280   9.702  -3.697
   79   HG21  ILE  10          HG21      ILE  10  50.369   7.839  -4.275
   80   HG22  ILE  10          HG22      ILE  10  49.905   8.257  -5.936
   81   HG23  ILE  10          HG23      ILE  10  48.674   7.680  -4.791
   82   HD11  ILE  10           HD1      ILE  10  49.552   8.385  -2.196
   83   HD12  ILE  10           HD2      ILE  10  47.933   7.766  -2.564
   84   HD13  ILE  10           HD3      ILE  10  48.153   8.972  -1.278
   85    H    HIS  11           HN       HIS  11  48.480  11.788  -4.444
   86    HA   HIS  11           HA       HIS  11  49.837  14.380  -4.810
   87    HB2  HIS  11           HB2      HIS  11  47.772  13.736  -6.070
   88    HB3  HIS  11           HB1      HIS  11  46.872  13.756  -4.536
   89    HD1  HIS  11           HD1      HIS  11  49.550  16.303  -4.737
   90    HD2  HIS  11           HD2      HIS  11  45.490  16.063  -5.804
   91    HE1  HIS  11           HE1      HIS  11  48.705  18.693  -5.062
   92    H    GLY  12           HN       GLY  12  50.388  13.136  -2.283
   93    HA2  GLY  12           HA1      GLY  12  50.491  13.772  -0.062
   94    HA3  GLY  12           HA2      GLY  12  49.843  15.352  -0.548
   95    H    GLY  13           HN       GLY  13  48.269  12.211  -1.035
   96    HA2  GLY  13           HA1      GLY  13  46.347  11.319  -0.087
   97    HA3  GLY  13           HA2      GLY  13  46.571  12.411   1.297
   98    H    ARG  14           HN       ARG  14  45.782  12.633  -2.194
   99    HA   ARG  14           HA       ARG  14  43.219  13.911  -1.554
  100    HB2  ARG  14           HB2      ARG  14  45.305  15.665  -1.605
  101    HB3  ARG  14           HB1      ARG  14  44.934  15.632  -3.342
  102    HG2  ARG  14           HG2      ARG  14  42.984  16.277  -1.078
  103    HG3  ARG  14           HG1      ARG  14  43.666  17.431  -2.246
  104    HD2  ARG  14           HD2      ARG  14  42.607  15.887  -4.069
  105    HD3  ARG  14           HD1      ARG  14  41.648  15.215  -2.727
  106    HE   ARG  14           HE       ARG  14  40.370  17.187  -2.782
  107   HH11  ARG  14          HH11      ARG  14  40.955  19.529  -2.235
  108   HH12  ARG  14          HH12      ARG  14  41.741  20.363  -3.533
  109   HH21  ARG  14          HH21      ARG  14  42.480  17.472  -5.298
  110   HH22  ARG  14          HH22      ARG  14  42.604  19.199  -5.268
  111    H    PHE  15           HN       PHE  15  45.633  12.629  -3.751
  112    HA   PHE  15           HA       PHE  15  44.388  12.879  -6.244
  113    HB2  PHE  15           HB2      PHE  15  46.587  11.692  -5.684
  114    HB3  PHE  15           HB1      PHE  15  45.604  10.272  -5.256
  115    HD1  PHE  15           HD1      PHE  15  44.067   9.250  -6.994
  116    HD2  PHE  15           HD2      PHE  15  47.008  12.251  -7.983
  117    HE1  PHE  15           HE1      PHE  15  43.899   8.621  -9.398
  118    HE2  PHE  15           HE2      PHE  15  46.841  11.620 -10.388
  119    HZ   PHE  15           HZ       PHE  15  45.213   9.876 -11.104
  120    H    ILE  16           HN       ILE  16  43.714  10.503  -3.658
  121    HA   ILE  16           HA       ILE  16  41.421   9.415  -5.203
  122    HB   ILE  16           HB       ILE  16  42.271   8.688  -2.365
  123   HG12  ILE  16          HG12      ILE  16  43.195   7.572  -5.051
  124   HG13  ILE  16          HG11      ILE  16  44.204   8.417  -3.854
  125   HG21  ILE  16          HG21      ILE  16  40.853   7.052  -4.508
  126   HG22  ILE  16          HG22      ILE  16  39.982   8.010  -3.287
  127   HG23  ILE  16          HG23      ILE  16  41.029   6.664  -2.781
  128   HD11  ILE  16           HD1      ILE  16  43.427   6.535  -2.201
  129   HD12  ILE  16           HD2      ILE  16  44.654   6.132  -3.426
  130   HD13  ILE  16           HD3      ILE  16  42.960   5.654  -3.676
  131    H    HIS  17           HN       HIS  17  41.498  10.097  -1.666
  132    HA   HIS  17           HA       HIS  17  39.735  12.381  -1.825
  133    HB2  HIS  17           HB2      HIS  17  38.502   9.628  -1.454
  134    HB3  HIS  17           HB1      HIS  17  37.790  11.032  -0.631
  135    HD1  HIS  17           HD1      HIS  17  38.178  13.190  -2.829
  136    HD2  HIS  17           HD2      HIS  17  36.792   9.297  -3.608
  137    HE1  HIS  17           HE1      HIS  17  36.834  13.280  -5.000
  138    H    GLY  18           HN       GLY  18  41.879  12.540  -0.524
  139    HA2  GLY  18           HA1      GLY  18  42.850  12.767   1.572
  140    HA3  GLY  18           HA2      GLY  18  41.217  12.687   2.242
  141    H    MET  19           HN       MET  19  43.275  10.441   0.446
  142    HA   MET  19           HA       MET  19  43.545   8.221   0.927
  143    HB2  MET  19           HB2      MET  19  44.190   9.394   3.566
  144    HB3  MET  19           HB1      MET  19  44.607   7.725   3.113
  145    HG2  MET  19           HG2      MET  19  45.821   8.779   1.074
  146    HG3  MET  19           HG1      MET  19  45.661  10.322   1.946
  147    HE1  MET  19           HE1      MET  19  47.862  10.146   4.943
  148    HE2  MET  19           HE2      MET  19  46.088  10.084   4.814
  149    HE3  MET  19           HE3      MET  19  47.024  11.125   3.716
  150    H    ILE  20           HN       ILE  20  40.828   9.321   1.475
  151    HA   ILE  20           HA       ILE  20  38.868   8.453   2.378
  152    HB   ILE  20           HB       ILE  20  40.501   5.885   2.086
  153   HG12  ILE  20          HG12      ILE  20  38.695   5.340   0.484
  154   HG13  ILE  20          HG11      ILE  20  37.867   6.861   0.894
  155   HG21  ILE  20          HG21      ILE  20  37.795   6.219   3.444
  156   HG22  ILE  20          HG22      ILE  20  39.244   5.403   4.080
  157   HG23  ILE  20          HG23      ILE  20  38.332   4.675   2.738
  158   HD11  ILE  20           HD1      ILE  20  40.716   6.749  -0.173
  159   HD12  ILE  20           HD2      ILE  20  39.672   8.180  -0.004
  160   HD13  ILE  20           HD3      ILE  20  39.287   6.937  -1.216
  161    H    GLN  21           HN       GLN  21  41.912   8.557   3.799
  162    HA   GLN  21           HA       GLN  21  40.810   7.993   6.584
  163    HB2  GLN  21           HB2      GLN  21  43.638   8.143   5.470
  164    HB3  GLN  21           HB1      GLN  21  43.283   8.115   7.211
  165    HG2  GLN  21           HG2      GLN  21  42.028   5.979   6.896
  166    HG3  GLN  21           HG1      GLN  21  42.470   5.995   5.173
  167   HE21  GLN  21          HE21      GLN  21  44.967   7.383   7.082
  168   HE22  GLN  21          HE22      GLN  21  45.998   5.951   7.184
  169    H    ASN  22           HN       ASN  22  42.651  10.370   4.592
  170    HA   ASN  22           HA       ASN  22  42.464  12.396   6.717
  171    HB2  ASN  22           HB2      ASN  22  43.501  12.270   3.863
  172    HB3  ASN  22           HB1      ASN  22  43.225  13.853   4.631
  173   HD21  ASN  22          HD21      ASN  22  45.627  14.171   4.514
  174   HD22  ASN  22          HD22      ASN  22  46.645  13.393   5.732
  175    H    HIS  23           HN       HIS  23  40.777  11.186   3.875
  176    HA   HIS  23           HA       HIS  23  38.833  11.977   2.818
  177    HB2  HIS  23           HB2      HIS  23  36.937  12.255   4.349
  178    HB3  HIS  23           HB1      HIS  23  37.969  10.902   4.866
  179    HD1  HIS  23           HD1      HIS  23  39.319  11.149   7.053
  180    HD2  HIS  23           HD2      HIS  23  37.142  14.596   6.026
  181    HE1  HIS  23           HE1      HIS  23  39.325  12.689   9.093
  182    H    HIS  24           HN       HIS  24  40.947  14.067   3.418
  183    HA   HIS  24           HA       HIS  24  41.159  16.371   3.232
  184    HB2  HIS  24           HB2      HIS  24  39.930  15.861   1.112
  185    HB3  HIS  24           HB1      HIS  24  38.400  16.191   1.959
  186    HD1  HIS  24           HD1      HIS  24  41.110  18.345   3.183
  187    HD2  HIS  24           HD2      HIS  24  38.372  18.461  -0.008
  188    HE1  HIS  24           HE1      HIS  24  41.021  20.757   2.344
  Start of MODEL   20
    1    H1   PHE   1           HT1      PHE   1  57.724   8.090   7.506
    2    H2   PHE   1           HT2      PHE   1  58.936   8.654   8.555
    3    H3   PHE   1           HT3      PHE   1  58.395   7.046   8.661
    4    HA   PHE   1           HA       PHE   1  60.440   8.141   7.092
    5    HB2  PHE   1           HB2      PHE   1  60.948   5.767   6.724
    6    HB3  PHE   1           HB1      PHE   1  60.539   6.053   8.433
    7    HD1  PHE   1           HD1      PHE   1  58.374   5.309   9.360
    8    HD2  PHE   1           HD2      PHE   1  59.444   4.524   5.252
    9    HE1  PHE   1           HE1      PHE   1  56.530   3.640   9.198
   10    HE2  PHE   1           HE2      PHE   1  57.600   2.855   5.091
   11    HZ   PHE   1           HZ       PHE   1  56.178   2.376   7.079
   12    H    LEU   2           HN       LEU   2  60.792   8.147   4.908
   13    HA   LEU   2           HA       LEU   2  58.430   8.321   3.227
   14    HB2  LEU   2           HB2      LEU   2  61.423   8.407   2.719
   15    HB3  LEU   2           HB1      LEU   2  60.256   8.447   1.378
   16    HG   LEU   2           HG       LEU   2  59.199  10.455   2.298
   17   HD11  LEU   2          HD11      LEU   2  59.364  10.203   4.658
   18   HD12  LEU   2          HD12      LEU   2  60.436  11.573   4.294
   19   HD13  LEU   2          HD13      LEU   2  61.127   9.962   4.602
   20   HD21  LEU   2          HD21      LEU   2  61.016  12.019   1.915
   21   HD22  LEU   2          HD22      LEU   2  61.283  10.612   0.859
   22   HD23  LEU   2          HD23      LEU   2  62.230  10.795   2.355
   23    H    GLY   3           HN       GLY   3  57.422   6.795   2.086
   24    HA2  GLY   3           HA1      GLY   3  58.717   4.591   0.833
   25    HA3  GLY   3           HA2      GLY   3  58.075   4.040   2.392
   26    H    ALA   4           HN       ALA   4  56.013   6.397   1.803
   27    HA   ALA   4           HA       ALA   4  53.971   4.566   0.765
   28    HB1  ALA   4           HB1      ALA   4  53.499   6.231   2.537
   29    HB2  ALA   4           HB2      ALA   4  52.450   6.447   1.115
   30    HB3  ALA   4           HB3      ALA   4  53.830   7.539   1.377
   31    H    LEU   5           HN       LEU   5  55.730   4.545  -1.208
   32    HA   LEU   5           HA       LEU   5  56.045   5.016  -3.460
   33    HB2  LEU   5           HB2      LEU   5  53.086   5.578  -3.069
   34    HB3  LEU   5           HB1      LEU   5  53.850   5.762  -4.665
   35    HG   LEU   5           HG       LEU   5  54.555   3.434  -4.668
   36   HD11  LEU   5          HD11      LEU   5  55.148   3.011  -2.390
   37   HD12  LEU   5          HD12      LEU   5  53.757   1.951  -2.710
   38   HD13  LEU   5          HD13      LEU   5  53.532   3.466  -1.801
   39   HD21  LEU   5          HD21      LEU   5  52.175   4.022  -5.295
   40   HD22  LEU   5          HD22      LEU   5  51.685   3.570  -3.644
   41   HD23  LEU   5          HD23      LEU   5  52.379   2.345  -4.733
   42    H    ILE   6           HN       ILE   6  56.172   7.230  -1.284
   43    HA   ILE   6           HA       ILE   6  56.287   9.600  -1.182
   44    HB   ILE   6           HB       ILE   6  58.065  10.456  -2.681
   45   HG12  ILE   6          HG12      ILE   6  57.939   7.745  -4.093
   46   HG13  ILE   6          HG11      ILE   6  57.270   9.244  -4.771
   47   HG21  ILE   6          HG21      ILE   6  58.753   7.601  -1.885
   48   HG22  ILE   6          HG22      ILE   6  58.532   8.910  -0.699
   49   HG23  ILE   6          HG23      ILE   6  59.826   9.021  -1.913
   50   HD11  ILE   6           HD1      ILE   6  59.434   9.071  -5.732
   51   HD12  ILE   6           HD2      ILE   6  60.171   8.558  -4.198
   52   HD13  ILE   6           HD3      ILE   6  59.641  10.245  -4.413
   53    H    LYS   7           HN       LYS   7  56.897  11.215  -3.728
   54    HA   LYS   7           HA       LYS   7  55.517  12.766  -4.787
   55    HB2  LYS   7           HB2      LYS   7  53.916  10.209  -5.245
   56    HB3  LYS   7           HB1      LYS   7  53.269  11.790  -5.741
   57    HG2  LYS   7           HG2      LYS   7  55.138  12.179  -7.223
   58    HG3  LYS   7           HG1      LYS   7  56.009  10.764  -6.587
   59    HD2  LYS   7           HD2      LYS   7  54.948  10.254  -8.771
   60    HD3  LYS   7           HD1      LYS   7  54.247   9.268  -7.468
   61    HE2  LYS   7           HE2      LYS   7  52.236  10.514  -7.436
   62    HE3  LYS   7           HE1      LYS   7  52.977  11.916  -8.247
   63    HZ1  LYS   7           HZ1      LYS   7  53.304  10.344 -10.197
   64    HZ2  LYS   7           HZ2      LYS   7  51.716  10.855  -9.881
   65    HZ3  LYS   7           HZ3      LYS   7  52.219   9.300  -9.416
   66    H    GLY   8           HN       GLY   8  55.712  11.890  -2.236
   67    HA2  GLY   8           HA1      GLY   8  54.879  11.731  -0.182
   68    HA3  GLY   8           HA2      GLY   8  54.349  13.425  -0.516
   69    H    ALA   9           HN       ALA   9  53.470  10.055  -0.295
   70    HA   ALA   9           HA       ALA   9  51.440   8.986  -0.113
   71    HB1  ALA   9           HB1      ALA   9  51.234  10.492   1.840
   72    HB2  ALA   9           HB2      ALA   9  49.654  10.170   1.083
   73    HB3  ALA   9           HB3      ALA   9  50.477  11.722   0.801
   74    H    ILE  10           HN       ILE  10  52.088   9.765  -2.663
   75    HA   ILE  10           HA       ILE  10  51.095   9.836  -4.732
   76    HB   ILE  10           HB       ILE  10  48.926   8.955  -3.088
   77   HG12  ILE  10          HG12      ILE  10  47.899   8.329  -5.402
   78   HG13  ILE  10          HG11      ILE  10  49.352   9.079  -6.101
   79   HG21  ILE  10          HG21      ILE  10  47.897  11.072  -5.027
   80   HG22  ILE  10          HG22      ILE  10  47.952  11.269  -3.259
   81   HG23  ILE  10          HG23      ILE  10  46.926  10.010  -3.982
   82   HD11  ILE  10           HD1      ILE  10  50.790   7.528  -4.829
   83   HD12  ILE  10           HD2      ILE  10  49.604   6.613  -5.785
   84   HD13  ILE  10           HD3      ILE  10  49.360   6.829  -4.036
   85    H    HIS  11           HN       HIS  11  49.958  12.150  -2.307
   86    HA   HIS  11           HA       HIS  11  50.783  14.388  -3.928
   87    HB2  HIS  11           HB2      HIS  11  48.691  13.771  -5.156
   88    HB3  HIS  11           HB1      HIS  11  47.775  14.001  -3.648
   89    HD1  HIS  11           HD1      HIS  11  49.568  15.860  -6.391
   90    HD2  HIS  11           HD2      HIS  11  47.615  16.740  -2.770
   91    HE1  HIS  11           HE1      HIS  11  49.168  18.383  -6.334
   92    H    GLY  12           HN       GLY  12  49.442  12.870  -1.172
   93    HA2  GLY  12           HA1      GLY  12  50.411  14.287   0.856
   94    HA3  GLY  12           HA2      GLY  12  49.144  15.421   0.342
   95    H    GLY  13           HN       GLY  13  48.553  12.058  -0.184
   96    HA2  GLY  13           HA1      GLY  13  47.095  10.576   0.825
   97    HA3  GLY  13           HA2      GLY  13  47.425  11.391   2.369
   98    H    ARG  14           HN       ARG  14  45.779  12.044  -0.730
   99    HA   ARG  14           HA       ARG  14  43.267  12.635   0.738
  100    HB2  ARG  14           HB2      ARG  14  44.966  14.756   0.103
  101    HB3  ARG  14           HB1      ARG  14  43.923  14.707  -1.330
  102    HG2  ARG  14           HG2      ARG  14  42.906  14.810   1.552
  103    HG3  ARG  14           HG1      ARG  14  43.062  16.221   0.483
  104    HD2  ARG  14           HD2      ARG  14  41.437  15.344  -1.063
  105    HD3  ARG  14           HD1      ARG  14  41.423  13.760  -0.249
  106    HE   ARG  14           HE       ARG  14  40.447  16.272   1.102
  107   HH11  ARG  14          HH11      ARG  14  40.683  12.915   1.299
  108   HH12  ARG  14          HH12      ARG  14  39.044  12.658   1.792
  109   HH21  ARG  14          HH21      ARG  14  38.101  15.959   1.309
  110   HH22  ARG  14          HH22      ARG  14  37.582  14.381   1.797
  111    H    PHE  15           HN       PHE  15  45.010  12.584  -2.390
  112    HA   PHE  15           HA       PHE  15  42.576  11.869  -3.864
  113    HB2  PHE  15           HB2      PHE  15  45.538  11.881  -4.575
  114    HB3  PHE  15           HB1      PHE  15  44.260  11.397  -5.716
  115    HD1  PHE  15           HD1      PHE  15  43.059  13.053  -6.937
  116    HD2  PHE  15           HD2      PHE  15  45.330  14.203  -3.451
  117    HE1  PHE  15           HE1      PHE  15  42.627  15.451  -7.447
  118    HE2  PHE  15           HE2      PHE  15  44.896  16.602  -3.962
  119    HZ   PHE  15           HZ       PHE  15  43.472  17.221  -5.910
  120    H    ILE  16           HN       ILE  16  41.694   9.913  -3.942
  121    HA   ILE  16           HA       ILE  16  41.418   7.676  -3.348
  122    HB   ILE  16           HB       ILE  16  42.864   6.113  -4.633
  123   HG12  ILE  16          HG12      ILE  16  44.360   8.617  -5.552
  124   HG13  ILE  16          HG11      ILE  16  45.001   7.474  -4.352
  125   HG21  ILE  16          HG21      ILE  16  42.127   8.548  -6.309
  126   HG22  ILE  16          HG22      ILE  16  40.921   7.425  -5.637
  127   HG23  ILE  16          HG23      ILE  16  42.125   6.840  -6.806
  128   HD11  ILE  16           HD1      ILE  16  44.582   5.647  -6.152
  129   HD12  ILE  16           HD2      ILE  16  45.943   6.761  -6.409
  130   HD13  ILE  16           HD3      ILE  16  44.420   7.002  -7.293
  131    H    HIS  17           HN       HIS  17  42.583   8.987  -1.222
  132    HA   HIS  17           HA       HIS  17  44.268   6.790  -0.073
  133    HB2  HIS  17           HB2      HIS  17  45.759   8.694  -0.747
  134    HB3  HIS  17           HB1      HIS  17  44.813   9.762   0.319
  135    HD1  HIS  17           HD1      HIS  17  47.194   6.803   0.375
  136    HD2  HIS  17           HD2      HIS  17  45.252   9.356   3.096
  137    HE1  HIS  17           HE1      HIS  17  48.239   6.404   2.672
  138    H    GLY  18           HN       GLY  18  42.090   9.579   0.322
  139    HA2  GLY  18           HA1      GLY  18  41.677   9.666   3.063
  140    HA3  GLY  18           HA2      GLY  18  40.363   9.831   1.870
  141    H    MET  19           HN       MET  19  40.802   7.248   0.769
  142    HA   MET  19           HA       MET  19  40.681   4.984   2.089
  143    HB2  MET  19           HB2      MET  19  38.349   6.555   3.080
  144    HB3  MET  19           HB1      MET  19  38.093   4.833   2.775
  145    HG2  MET  19           HG2      MET  19  39.381   4.162   4.571
  146    HG3  MET  19           HG1      MET  19  40.555   5.479   4.379
  147    HE1  MET  19           HE1      MET  19  36.359   5.809   6.279
  148    HE2  MET  19           HE2      MET  19  37.093   4.342   5.588
  149    HE3  MET  19           HE3      MET  19  36.630   5.692   4.523
  150    H    ILE  20           HN       ILE  20  40.342   6.720  -0.358
  151    HA   ILE  20           HA       ILE  20  39.510   6.386  -2.488
  152    HB   ILE  20           HB       ILE  20  39.183   3.506  -1.488
  153   HG12  ILE  20          HG12      ILE  20  41.000   3.099  -3.140
  154   HG13  ILE  20          HG11      ILE  20  41.020   4.834  -3.531
  155   HG21  ILE  20          HG21      ILE  20  38.794   3.031  -3.996
  156   HG22  ILE  20          HG22      ILE  20  38.414   4.763  -4.145
  157   HG23  ILE  20          HG23      ILE  20  37.429   3.721  -3.091
  158   HD11  ILE  20           HD1      ILE  20  42.761   3.932  -1.798
  159   HD12  ILE  20           HD2      ILE  20  41.388   3.889  -0.666
  160   HD13  ILE  20           HD3      ILE  20  41.885   5.430  -1.409
  161    H    GLN  21           HN       GLN  21  38.015   6.124   0.467
  162    HA   GLN  21           HA       GLN  21  35.226   6.343  -0.767
  163    HB2  GLN  21           HB2      GLN  21  35.642   4.411   0.811
  164    HB3  GLN  21           HB1      GLN  21  35.962   5.603   2.091
  165    HG2  GLN  21           HG2      GLN  21  33.722   6.519   1.894
  166    HG3  GLN  21           HG1      GLN  21  33.388   5.521   0.459
  167   HE21  GLN  21          HE21      GLN  21  31.890   5.486   3.037
  168   HE22  GLN  21          HE22      GLN  21  32.060   3.841   3.659
  169    H    ASN  22           HN       ASN  22  37.704   7.835   1.294
  170    HA   ASN  22           HA       ASN  22  35.796  10.099   1.879
  171    HB2  ASN  22           HB2      ASN  22  36.824   9.085   3.869
  172    HB3  ASN  22           HB1      ASN  22  38.442   9.322   3.172
  173   HD21  ASN  22          HD21      ASN  22  35.674  10.955   4.689
  174   HD22  ASN  22          HD22      ASN  22  36.479  12.516   4.878
  175    H    HIS  23           HN       HIS  23  38.546   9.039   0.085
  176    HA   HIS  23           HA       HIS  23  40.103  11.302  -0.281
  177    HB2  HIS  23           HB2      HIS  23  40.584  10.467  -2.536
  178    HB3  HIS  23           HB1      HIS  23  40.465   9.106  -1.398
  179    HD1  HIS  23           HD1      HIS  23  37.257   9.160  -1.256
  180    HD2  HIS  23           HD2      HIS  23  39.537   9.156  -4.784
  181    HE1  HIS  23           HE1      HIS  23  35.795   8.177  -3.106
  182    H    HIS  24           HN       HIS  24  40.170  12.998  -1.874
  183    HA   HIS  24           HA       HIS  24  37.854  13.654  -3.471
  184    HB2  HIS  24           HB2      HIS  24  36.920  14.137  -1.202
  185    HB3  HIS  24           HB1      HIS  24  38.228  15.317  -0.950
  186    HD1  HIS  24           HD1      HIS  24  38.400  17.194  -3.024
  187    HD2  HIS  24           HD2      HIS  24  34.719  15.240  -2.459
  188    HE1  HIS  24           HE1      HIS  24  36.600  18.620  -4.144
  Start of MODEL   21
    1    H1   PHE   1           HT1      PHE   1  56.500   2.819 -12.948
    2    H2   PHE   1           HT2      PHE   1  57.608   1.592 -13.342
    3    H3   PHE   1           HT3      PHE   1  58.161   3.156 -12.973
    4    HA   PHE   1           HA       PHE   1  56.622   1.568 -11.044
    5    HB2  PHE   1           HB2      PHE   1  58.841   0.920 -10.065
    6    HB3  PHE   1           HB1      PHE   1  58.512   0.170 -11.645
    7    HD1  PHE   1           HD1      PHE   1  59.598   1.063 -13.715
    8    HD2  PHE   1           HD2      PHE   1  60.635   2.522  -9.788
    9    HE1  PHE   1           HE1      PHE   1  61.678   2.076 -14.641
   10    HE2  PHE   1           HE2      PHE   1  62.714   3.535 -10.713
   11    HZ   PHE   1           HZ       PHE   1  63.262   3.267 -13.128
   12    H    LEU   2           HN       LEU   2  55.962   2.951  -9.550
   13    HA   LEU   2           HA       LEU   2  57.099   5.612  -9.317
   14    HB2  LEU   2           HB2      LEU   2  55.344   4.247  -7.248
   15    HB3  LEU   2           HB1      LEU   2  55.454   5.979  -7.643
   16    HG   LEU   2           HG       LEU   2  54.338   3.777  -9.434
   17   HD11  LEU   2          HD11      LEU   2  52.215   5.036  -9.141
   18   HD12  LEU   2          HD12      LEU   2  53.041   6.160  -8.037
   19   HD13  LEU   2          HD13      LEU   2  52.845   4.449  -7.585
   20   HD21  LEU   2          HD21      LEU   2  54.880   6.739  -9.900
   21   HD22  LEU   2          HD22      LEU   2  53.669   5.843 -10.848
   22   HD23  LEU   2          HD23      LEU   2  55.377   5.355 -10.902
   23    H    GLY   3           HN       GLY   3  58.244   2.639  -8.344
   24    HA2  GLY   3           HA1      GLY   3  60.127   2.166  -7.055
   25    HA3  GLY   3           HA2      GLY   3  60.231   3.878  -6.597
   26    H    ALA   4           HN       ALA   4  57.930   4.431  -5.337
   27    HA   ALA   4           HA       ALA   4  57.106   2.371  -3.475
   28    HB1  ALA   4           HB1      ALA   4  58.882   4.536  -2.307
   29    HB2  ALA   4           HB2      ALA   4  59.456   2.892  -2.683
   30    HB3  ALA   4           HB3      ALA   4  58.174   3.133  -1.472
   31    H    LEU   5           HN       LEU   5  55.787   3.337  -1.648
   32    HA   LEU   5           HA       LEU   5  53.987   5.313  -2.817
   33    HB2  LEU   5           HB2      LEU   5  54.137   3.863  -0.152
   34    HB3  LEU   5           HB1      LEU   5  52.926   5.132  -0.449
   35    HG   LEU   5           HG       LEU   5  52.071   3.893  -2.399
   36   HD11  LEU   5          HD11      LEU   5  54.365   2.014  -1.715
   37   HD12  LEU   5          HD12      LEU   5  53.965   2.757  -3.283
   38   HD13  LEU   5          HD13      LEU   5  52.946   1.453  -2.633
   39   HD21  LEU   5          HD21      LEU   5  51.023   2.072  -1.182
   40   HD22  LEU   5          HD22      LEU   5  51.251   3.423  -0.046
   41   HD23  LEU   5          HD23      LEU   5  52.354   2.027  -0.003
   42    H    ILE   6           HN       ILE   6  55.056   7.245  -3.114
   43    HA   ILE   6           HA       ILE   6  55.403   8.863  -0.625
   44    HB   ILE   6           HB       ILE   6  57.677   9.652  -1.316
   45   HG12  ILE   6          HG12      ILE   6  57.454   7.427  -3.398
   46   HG13  ILE   6          HG11      ILE   6  57.508   9.172  -3.736
   47   HG21  ILE   6          HG21      ILE   6  57.297   7.675   0.266
   48   HG22  ILE   6          HG22      ILE   6  58.904   7.769  -0.488
   49   HG23  ILE   6          HG23      ILE   6  57.697   6.617  -1.109
   50   HD11  ILE   6           HD1      ILE   6  59.743   8.454  -4.082
   51   HD12  ILE   6           HD2      ILE   6  59.714   7.380  -2.666
   52   HD13  ILE   6           HD3      ILE   6  59.774   9.147  -2.444
   53    H    LYS   7           HN       LYS   7  56.962  10.891  -2.266
   54    HA   LYS   7           HA       LYS   7  56.190  12.860  -3.242
   55    HB2  LYS   7           HB2      LYS   7  55.883  11.276  -5.296
   56    HB3  LYS   7           HB1      LYS   7  54.176  11.175  -4.805
   57    HG2  LYS   7           HG2      LYS   7  53.909  13.588  -5.034
   58    HG3  LYS   7           HG1      LYS   7  55.648  13.789  -5.353
   59    HD2  LYS   7           HD2      LYS   7  55.483  12.581  -7.442
   60    HD3  LYS   7           HD1      LYS   7  53.806  12.096  -7.092
   61    HE2  LYS   7           HE2      LYS   7  54.776  14.962  -7.484
   62    HE3  LYS   7           HE1      LYS   7  53.879  13.999  -8.683
   63    HZ1  LYS   7           HZ1      LYS   7  52.867  15.503  -6.529
   64    HZ2  LYS   7           HZ2      LYS   7  52.488  13.867  -6.263
   65    HZ3  LYS   7           HZ3      LYS   7  52.011  14.630  -7.705
   66    H    GLY   8           HN       GLY   8  55.409  11.388  -1.110
   67    HA2  GLY   8           HA1      GLY   8  53.904  10.895   0.447
   68    HA3  GLY   8           HA2      GLY   8  53.682  12.686   0.466
   69    H    ALA   9           HN       ALA   9  52.465   9.590  -0.567
   70    HA   ALA   9           HA       ALA   9  50.499   8.936  -1.599
   71    HB1  ALA   9           HB1      ALA   9  49.816   9.224   0.723
   72    HB2  ALA   9           HB2      ALA   9  48.493   9.714  -0.361
   73    HB3  ALA   9           HB3      ALA   9  49.492  10.950   0.439
   74    H    ILE  10           HN       ILE  10  51.757  10.708  -3.229
   75    HA   ILE  10           HA       ILE  10  51.473  12.452  -4.751
   76    HB   ILE  10           HB       ILE  10  49.153  12.028  -6.078
   77   HG12  ILE  10          HG12      ILE  10  49.537   9.469  -4.447
   78   HG13  ILE  10          HG11      ILE  10  48.192  10.611  -4.258
   79   HG21  ILE  10          HG21      ILE  10  51.337   9.896  -6.027
   80   HG22  ILE  10          HG22      ILE  10  51.506  11.469  -6.842
   81   HG23  ILE  10          HG23      ILE  10  50.273  10.316  -7.388
   82   HD11  ILE  10           HD1      ILE  10  47.837  10.205  -6.852
   83   HD12  ILE  10           HD2      ILE  10  47.248   9.000  -5.682
   84   HD13  ILE  10           HD3      ILE  10  48.774   8.722  -6.549
   85    H    HIS  11           HN       HIS  11  47.981  12.317  -4.443
   86    HA   HIS  11           HA       HIS  11  47.679  15.093  -4.219
   87    HB2  HIS  11           HB2      HIS  11  45.404  14.519  -3.222
   88    HB3  HIS  11           HB1      HIS  11  45.782  13.762  -4.787
   89    HD1  HIS  11           HD1      HIS  11  45.247  11.337  -4.868
   90    HD2  HIS  11           HD2      HIS  11  46.233  12.596  -0.978
   91    HE1  HIS  11           HE1      HIS  11  45.086   9.294  -3.342
   92    H    GLY  12           HN       GLY  12  49.090  13.031  -1.911
   93    HA2  GLY  12           HA1      GLY  12  48.057  14.303   0.482
   94    HA3  GLY  12           HA2      GLY  12  49.526  13.316   0.359
   95    H    GLY  13           HN       GLY  13  49.670  15.633  -2.001
   96    HA2  GLY  13           HA1      GLY  13  50.505  17.927  -0.439
   97    HA3  GLY  13           HA2      GLY  13  51.896  16.986  -1.017
   98    H    ARG  14           HN       ARG  14  50.259  16.115  -3.418
   99    HA   ARG  14           HA       ARG  14  51.119  18.299  -5.140
  100    HB2  ARG  14           HB2      ARG  14  50.863  15.669  -5.565
  101    HB3  ARG  14           HB1      ARG  14  49.228  16.128  -6.086
  102    HG2  ARG  14           HG2      ARG  14  51.848  17.264  -7.175
  103    HG3  ARG  14           HG1      ARG  14  50.785  16.105  -8.006
  104    HD2  ARG  14           HD2      ARG  14  48.923  17.883  -7.736
  105    HD3  ARG  14           HD1      ARG  14  50.237  19.013  -7.327
  106    HE   ARG  14           HE       ARG  14  50.770  19.071  -9.616
  107   HH11  ARG  14          HH11      ARG  14  51.777  16.905 -10.729
  108   HH12  ARG  14          HH12      ARG  14  50.516  16.021 -11.522
  109   HH21  ARG  14          HH21      ARG  14  47.957  17.625  -9.818
  110   HH22  ARG  14          HH22      ARG  14  48.353  16.429 -11.007
  111    H    PHE  15           HN       PHE  15  47.912  16.883  -4.326
  112    HA   PHE  15           HA       PHE  15  46.209  18.547  -5.716
  113    HB2  PHE  15           HB2      PHE  15  45.555  16.698  -4.155
  114    HB3  PHE  15           HB1      PHE  15  45.846  17.801  -2.789
  115    HD1  PHE  15           HD1      PHE  15  44.079  19.197  -2.042
  116    HD2  PHE  15           HD2      PHE  15  43.961  17.588  -6.047
  117    HE1  PHE  15           HE1      PHE  15  41.800  20.151  -2.360
  118    HE2  PHE  15           HE2      PHE  15  41.683  18.544  -6.363
  119    HZ   PHE  15           HZ       PHE  15  40.575  19.762  -4.494
  120    H    ILE  16           HN       ILE  16  46.878  20.624  -6.075
  121    HA   ILE  16           HA       ILE  16  47.530  22.813  -5.542
  122    HB   ILE  16           HB       ILE  16  45.690  24.022  -4.315
  123   HG12  ILE  16          HG12      ILE  16  44.396  21.255  -4.175
  124   HG13  ILE  16          HG11      ILE  16  45.146  22.056  -2.781
  125   HG21  ILE  16          HG21      ILE  16  44.608  22.048  -6.371
  126   HG22  ILE  16          HG22      ILE  16  45.664  23.408  -6.805
  127   HG23  ILE  16          HG23      ILE  16  44.076  23.718  -6.073
  128   HD11  ILE  16           HD1      ILE  16  42.690  22.903  -4.352
  129   HD12  ILE  16           HD2      ILE  16  43.571  24.052  -3.316
  130   HD13  ILE  16           HD3      ILE  16  42.839  22.594  -2.608
  131    H    HIS  17           HN       HIS  17  49.293  21.515  -4.163
  132    HA   HIS  17           HA       HIS  17  49.646  23.169  -1.772
  133    HB2  HIS  17           HB2      HIS  17  49.149  20.177  -1.511
  134    HB3  HIS  17           HB1      HIS  17  49.995  21.128  -0.268
  135    HD1  HIS  17           HD1      HIS  17  48.407  23.672  -0.075
  136    HD2  HIS  17           HD2      HIS  17  46.564  19.923  -0.580
  137    HE1  HIS  17           HE1      HIS  17  46.001  23.887   0.763
  138    H    GLY  18           HN       GLY  18  50.601  21.062  -4.256
  139    HA2  GLY  18           HA1      GLY  18  53.483  21.555  -3.619
  140    HA3  GLY  18           HA2      GLY  18  52.933  19.899  -3.963
  141    H    MET  19           HN       MET  19  52.072  23.073  -5.295
  142    HA   MET  19           HA       MET  19  53.430  22.865  -7.807
  143    HB2  MET  19           HB2      MET  19  51.957  21.024  -8.127
  144    HB3  MET  19           HB1      MET  19  50.589  22.038  -7.697
  145    HG2  MET  19           HG2      MET  19  50.829  23.374  -9.685
  146    HG3  MET  19           HG1      MET  19  52.428  22.676 -10.030
  147    HE1  MET  19           HE1      MET  19  48.757  22.644 -10.601
  148    HE2  MET  19           HE2      MET  19  48.744  21.537  -9.207
  149    HE3  MET  19           HE3      MET  19  48.268  20.946 -10.816
  150    H    ILE  20           HN       ILE  20  50.191  23.703  -6.467
  151    HA   ILE  20           HA       ILE  20  50.273  26.369  -7.705
  152    HB   ILE  20           HB       ILE  20  48.605  25.078  -5.488
  153   HG12  ILE  20          HG12      ILE  20  46.764  25.481  -7.010
  154   HG13  ILE  20          HG11      ILE  20  47.768  26.523  -8.041
  155   HG21  ILE  20          HG21      ILE  20  48.768  28.030  -6.229
  156   HG22  ILE  20          HG22      ILE  20  48.932  27.297  -4.615
  157   HG23  ILE  20          HG23      ILE  20  47.347  27.321  -5.425
  158   HD11  ILE  20           HD1      ILE  20  48.489  23.609  -7.550
  159   HD12  ILE  20           HD2      ILE  20  49.051  24.688  -8.848
  160   HD13  ILE  20           HD3      ILE  20  47.375  24.092  -8.849
  161    H    GLN  21           HN       GLN  21  51.851  24.572  -5.464
  162    HA   GLN  21           HA       GLN  21  53.107  26.911  -4.115
  163    HB2  GLN  21           HB2      GLN  21  52.472  24.133  -3.037
  164    HB3  GLN  21           HB1      GLN  21  53.562  25.290  -2.235
  165    HG2  GLN  21           HG2      GLN  21  51.679  26.964  -2.217
  166    HG3  GLN  21           HG1      GLN  21  50.606  25.698  -2.861
  167   HE21  GLN  21          HE21      GLN  21  49.536  26.351  -0.606
  168   HE22  GLN  21          HE22      GLN  21  50.058  25.364   0.765
  169    H    ASN  22           HN       ASN  22  53.399  23.835  -6.078
  170    HA   ASN  22           HA       ASN  22  56.436  24.199  -5.722
  171    HB2  ASN  22           HB2      ASN  22  55.309  21.946  -5.068
  172    HB3  ASN  22           HB1      ASN  22  55.158  21.683  -6.818
  173   HD21  ASN  22          HD21      ASN  22  57.795  23.516  -6.907
  174   HD22  ASN  22          HD22      ASN  22  59.056  22.309  -6.634
  175    H    HIS  23           HN       HIS  23  54.320  25.458  -7.613
  176    HA   HIS  23           HA       HIS  23  54.121  25.907  -9.902
  177    HB2  HIS  23           HB2      HIS  23  56.088  27.231  -9.083
  178    HB3  HIS  23           HB1      HIS  23  57.152  25.929  -9.668
  179    HD1  HIS  23           HD1      HIS  23  54.195  27.928 -11.136
  180    HD2  HIS  23           HD2      HIS  23  58.043  26.594 -12.185
  181    HE1  HIS  23           HE1      HIS  23  54.630  28.672 -13.542
  182    H    HIS  24           HN       HIS  24  54.535  22.960  -9.184
  183    HA   HIS  24           HA       HIS  24  54.842  22.058 -11.965
  184    HB2  HIS  24           HB2      HIS  24  56.851  21.257  -9.821
  185    HB3  HIS  24           HB1      HIS  24  56.632  20.385 -11.358
  186    HD1  HIS  24           HD1      HIS  24  58.175  23.426  -9.845
  187    HD2  HIS  24           HD2      HIS  24  57.399  21.920 -13.693
  188    HE1  HIS  24           HE1      HIS  24  59.504  24.846 -11.500
  Start of MODEL   22
    1    H1   PHE   1           HT1      PHE   1  55.173   2.132 -11.404
    2    H2   PHE   1           HT2      PHE   1  53.492   1.912 -11.289
    3    H3   PHE   1           HT3      PHE   1  54.412   0.938 -12.335
    4    HA   PHE   1           HA       PHE   1  53.675  -0.077 -10.181
    5    HB2  PHE   1           HB2      PHE   1  55.486  -0.936 -11.724
    6    HB3  PHE   1           HB1      PHE   1  56.662  -0.025 -10.749
    7    HD1  PHE   1           HD1      PHE   1  54.361  -2.913 -10.829
    8    HD2  PHE   1           HD2      PHE   1  57.124  -0.651  -8.406
    9    HE1  PHE   1           HE1      PHE   1  54.427  -4.771  -9.169
   10    HE2  PHE   1           HE2      PHE   1  57.191  -2.509  -6.746
   11    HZ   PHE   1           HZ       PHE   1  55.792  -4.541  -7.098
   12    H    LEU   2           HN       LEU   2  56.180   2.453 -10.108
   13    HA   LEU   2           HA       LEU   2  56.991   3.726  -8.355
   14    HB2  LEU   2           HB2      LEU   2  54.522   2.911  -6.786
   15    HB3  LEU   2           HB1      LEU   2  55.466   4.412  -6.657
   16    HG   LEU   2           HG       LEU   2  53.792   3.529  -9.051
   17   HD11  LEU   2          HD11      LEU   2  52.579   4.362  -6.982
   18   HD12  LEU   2          HD12      LEU   2  52.319   5.351  -8.438
   19   HD13  LEU   2          HD13      LEU   2  53.444   5.905  -7.174
   20   HD21  LEU   2          HD21      LEU   2  55.623   4.757  -9.961
   21   HD22  LEU   2          HD22      LEU   2  55.666   5.885  -8.584
   22   HD23  LEU   2          HD23      LEU   2  54.340   5.972  -9.768
   23    H    GLY   3           HN       GLY   3  55.234   1.314  -6.362
   24    HA2  GLY   3           HA1      GLY   3  56.056  -0.283  -4.901
   25    HA3  GLY   3           HA2      GLY   3  57.606  -0.214  -5.762
   26    H    ALA   4           HN       ALA   4  55.977   2.543  -4.244
   27    HA   ALA   4           HA       ALA   4  57.476   2.420  -1.776
   28    HB1  ALA   4           HB1      ALA   4  58.526   4.225  -3.977
   29    HB2  ALA   4           HB2      ALA   4  59.402   2.930  -3.126
   30    HB3  ALA   4           HB3      ALA   4  58.939   4.413  -2.257
   31    H    LEU   5           HN       LEU   5  56.611   3.773  -0.295
   32    HA   LEU   5           HA       LEU   5  54.250   5.298  -1.096
   33    HB2  LEU   5           HB2      LEU   5  55.721   4.835   1.516
   34    HB3  LEU   5           HB1      LEU   5  54.377   5.989   1.418
   35    HG   LEU   5           HG       LEU   5  53.763   3.631   2.172
   36   HD11  LEU   5          HD11      LEU   5  52.185   5.367   0.994
   37   HD12  LEU   5          HD12      LEU   5  51.651   3.680   1.130
   38   HD13  LEU   5          HD13      LEU   5  52.294   4.282  -0.409
   39   HD21  LEU   5          HD21      LEU   5  53.691   1.837   0.567
   40   HD22  LEU   5          HD22      LEU   5  55.330   2.524   0.502
   41   HD23  LEU   5          HD23      LEU   5  54.149   2.918  -0.768
   42    H    ILE   6           HN       ILE   6  55.063   6.854  -2.557
   43    HA   ILE   6           HA       ILE   6  55.992   9.307  -1.180
   44    HB   ILE   6           HB       ILE   6  58.095   7.828  -1.842
   45   HG12  ILE   6          HG12      ILE   6  59.181  10.104  -2.827
   46   HG13  ILE   6          HG11      ILE   6  57.622  10.787  -2.317
   47   HG21  ILE   6          HG21      ILE   6  57.958   9.090  -4.575
   48   HG22  ILE   6          HG22      ILE   6  56.955   7.646  -4.307
   49   HG23  ILE   6          HG23      ILE   6  58.711   7.569  -4.053
   50   HD11  ILE   6           HD1      ILE   6  57.980   9.856  -0.032
   51   HD12  ILE   6           HD2      ILE   6  59.275  10.979  -0.507
   52   HD13  ILE   6           HD3      ILE   6  59.558   9.222  -0.554
   53    H    LYS   7           HN       LYS   7  56.937  10.384  -3.871
   54    HA   LYS   7           HA       LYS   7  55.801  11.790  -5.340
   55    HB2  LYS   7           HB2      LYS   7  55.066   9.498  -6.361
   56    HB3  LYS   7           HB1      LYS   7  53.557   9.717  -5.441
   57    HG2  LYS   7           HG2      LYS   7  53.096  11.817  -6.596
   58    HG3  LYS   7           HG1      LYS   7  54.671  11.752  -7.423
   59    HD2  LYS   7           HD2      LYS   7  53.966   9.584  -8.485
   60    HD3  LYS   7           HD1      LYS   7  52.356   9.798  -7.756
   61    HE2  LYS   7           HE2      LYS   7  53.682  11.842  -9.587
   62    HE3  LYS   7           HE1      LYS   7  52.514  10.619 -10.141
   63    HZ1  LYS   7           HZ1      LYS   7  51.497  12.793  -9.617
   64    HZ2  LYS   7           HZ2      LYS   7  51.978  12.614  -7.997
   65    HZ3  LYS   7           HZ3      LYS   7  50.864  11.529  -8.681
   66    H    GLY   8           HN       GLY   8  55.718  11.401  -2.663
   67    HA2  GLY   8           HA1      GLY   8  54.715  11.688  -0.702
   68    HA3  GLY   8           HA2      GLY   8  54.401  13.333  -1.375
   69    H    ALA   9           HN       ALA   9  53.141  10.028  -1.119
   70    HA   ALA   9           HA       ALA   9  50.993   9.204  -1.066
   71    HB1  ALA   9           HB1      ALA   9  51.018  10.594   1.008
   72    HB2  ALA   9           HB2      ALA   9  49.399  10.429   0.290
   73    HB3  ALA   9           HB3      ALA   9  50.319  11.936   0.073
   74    H    ILE  10           HN       ILE  10  51.867  10.511  -3.495
   75    HA   ILE  10           HA       ILE  10  50.946  10.945  -5.549
   76    HB   ILE  10           HB       ILE  10  48.790   9.651  -4.235
   77   HG12  ILE  10          HG12      ILE  10  48.944  10.580  -7.140
   78   HG13  ILE  10          HG11      ILE  10  49.739   9.132  -6.479
   79   HG21  ILE  10          HG21      ILE  10  47.640  12.055  -5.714
   80   HG22  ILE  10          HG22      ILE  10  47.718  11.950  -3.942
   81   HG23  ILE  10          HG23      ILE  10  46.749  10.779  -4.854
   82   HD11  ILE  10           HD1      ILE  10  47.305   8.485  -5.671
   83   HD12  ILE  10           HD2      ILE  10  47.755   8.237  -7.375
   84   HD13  ILE  10           HD3      ILE  10  46.783   9.652  -6.912
   85    H    HIS  11           HN       HIS  11  49.594  12.705  -2.783
   86    HA   HIS  11           HA       HIS  11  50.352  15.239  -3.990
   87    HB2  HIS  11           HB2      HIS  11  48.261  14.806  -5.252
   88    HB3  HIS  11           HB1      HIS  11  47.378  14.647  -3.714
   89    HD1  HIS  11           HD1      HIS  11  47.275  16.819  -2.155
   90    HD2  HIS  11           HD2      HIS  11  48.784  17.459  -6.027
   91    HE1  HIS  11           HE1      HIS  11  47.200  19.335  -2.596
   92    H    GLY  12           HN       GLY  12  49.296  13.206  -1.477
   93    HA2  GLY  12           HA1      GLY  12  50.258  14.292   0.718
   94    HA3  GLY  12           HA2      GLY  12  48.956  15.471   0.453
   95    H    GLY  13           HN       GLY  13  48.336  12.247  -0.615
   96    HA2  GLY  13           HA1      GLY  13  47.034  10.547   0.283
   97    HA3  GLY  13           HA2      GLY  13  47.304  11.234   1.897
   98    H    ARG  14           HN       ARG  14  45.490  11.781  -1.142
   99    HA   ARG  14           HA       ARG  14  43.011  12.102   0.333
  100    HB2  ARG  14           HB2      ARG  14  44.401  14.358   0.526
  101    HB3  ARG  14           HB1      ARG  14  43.839  14.624  -1.134
  102    HG2  ARG  14           HG2      ARG  14  42.002  14.014   1.236
  103    HG3  ARG  14           HG1      ARG  14  42.350  15.646   0.632
  104    HD2  ARG  14           HD2      ARG  14  40.925  13.391  -0.834
  105    HD3  ARG  14           HD1      ARG  14  40.271  14.972  -0.365
  106    HE   ARG  14           HE       ARG  14  42.510  15.404  -2.083
  107   HH11  ARG  14          HH11      ARG  14  40.488  13.039  -2.963
  108   HH12  ARG  14          HH12      ARG  14  39.664  13.890  -4.226
  109   HH21  ARG  14          HH21      ARG  14  40.941  16.987  -3.336
  110   HH22  ARG  14          HH22      ARG  14  39.921  16.124  -4.437
  111    H    PHE  15           HN       PHE  15  44.619  13.202  -2.685
  112    HA   PHE  15           HA       PHE  15  42.311  12.782  -4.341
  113    HB2  PHE  15           HB2      PHE  15  44.291  14.169  -4.976
  114    HB3  PHE  15           HB1      PHE  15  45.257  12.681  -5.118
  115    HD1  PHE  15           HD1      PHE  15  42.056  14.248  -6.346
  116    HD2  PHE  15           HD2      PHE  15  45.294  11.516  -7.186
  117    HE1  PHE  15           HE1      PHE  15  41.191  13.930  -8.660
  118    HE2  PHE  15           HE2      PHE  15  44.425  11.199  -9.499
  119    HZ   PHE  15           HZ       PHE  15  42.377  12.411 -10.238
  120    H    ILE  16           HN       ILE  16  41.356  10.801  -3.987
  121    HA   ILE  16           HA       ILE  16  41.216   8.465  -3.830
  122    HB   ILE  16           HB       ILE  16  41.818   7.343  -6.026
  123   HG12  ILE  16          HG12      ILE  16  42.608  10.178  -6.853
  124   HG13  ILE  16          HG11      ILE  16  43.775   8.879  -6.527
  125   HG21  ILE  16          HG21      ILE  16  40.057   8.451  -7.260
  126   HG22  ILE  16          HG22      ILE  16  40.301   9.966  -6.359
  127   HG23  ILE  16          HG23      ILE  16  39.625   8.540  -5.539
  128   HD11  ILE  16           HD1      ILE  16  43.491   8.791  -8.874
  129   HD12  ILE  16           HD2      ILE  16  41.742   9.085  -8.769
  130   HD13  ILE  16           HD3      ILE  16  42.410   7.506  -8.289
  131    H    HIS  17           HN       HIS  17  43.105   8.975  -2.155
  132    HA   HIS  17           HA       HIS  17  45.136   6.838  -2.659
  133    HB2  HIS  17           HB2      HIS  17  46.187   9.019  -3.271
  134    HB3  HIS  17           HB1      HIS  17  45.829   9.622  -1.635
  135    HD1  HIS  17           HD1      HIS  17  47.223   8.722   0.340
  136    HD2  HIS  17           HD2      HIS  17  48.267   7.065  -3.381
  137    HE1  HIS  17           HE1      HIS  17  49.395   7.419   0.670
  138    H    GLY  18           HN       GLY  18  43.253   8.916  -0.500
  139    HA2  GLY  18           HA1      GLY  18  44.265   8.134   2.011
  140    HA3  GLY  18           HA2      GLY  18  42.547   8.492   1.672
  141    H    MET  19           HN       MET  19  41.759   6.726   0.032
  142    HA   MET  19           HA       MET  19  42.377   4.032   0.424
  143    HB2  MET  19           HB2      MET  19  41.633   4.572   2.819
  144    HB3  MET  19           HB1      MET  19  40.024   4.824   2.117
  145    HG2  MET  19           HG2      MET  19  39.771   2.539   1.569
  146    HG3  MET  19           HG1      MET  19  41.522   2.230   1.597
  147    HE1  MET  19           HE1      MET  19  42.503   1.628   5.111
  148    HE2  MET  19           HE2      MET  19  42.901   2.905   3.937
  149    HE3  MET  19           HE3      MET  19  42.710   1.221   3.391
  150    H    ILE  20           HN       ILE  20  41.324   6.385  -1.145
  151    HA   ILE  20           HA       ILE  20  39.814   6.678  -2.864
  152    HB   ILE  20           HB       ILE  20  39.701   3.618  -2.725
  153   HG12  ILE  20          HG12      ILE  20  40.815   3.772  -4.893
  154   HG13  ILE  20          HG11      ILE  20  40.631   5.541  -4.901
  155   HG21  ILE  20          HG21      ILE  20  38.380   3.879  -4.935
  156   HG22  ILE  20          HG22      ILE  20  38.045   5.542  -4.394
  157   HG23  ILE  20          HG23      ILE  20  37.487   4.160  -3.422
  158   HD11  ILE  20           HD1      ILE  20  42.932   4.581  -4.178
  159   HD12  ILE  20           HD2      ILE  20  42.119   4.115  -2.664
  160   HD13  ILE  20           HD3      ILE  20  42.203   5.829  -3.141
  161    H    GLN  21           HN       GLN  21  39.419   5.530   0.219
  162    HA   GLN  21           HA       GLN  21  36.494   6.359   0.215
  163    HB2  GLN  21           HB2      GLN  21  37.645   3.810   1.406
  164    HB3  GLN  21           HB1      GLN  21  36.047   4.468   1.828
  165    HG2  GLN  21           HG2      GLN  21  35.370   4.361  -0.555
  166    HG3  GLN  21           HG1      GLN  21  36.968   3.697  -0.977
  167   HE21  GLN  21          HE21      GLN  21  34.562   2.997   1.671
  168   HE22  GLN  21          HE22      GLN  21  34.551   1.255   1.375
  169    H    ASN  22           HN       ASN  22  39.588   6.916   1.425
  170    HA   ASN  22           HA       ASN  22  38.440   7.823   4.081
  171    HB2  ASN  22           HB2      ASN  22  41.229   6.835   3.385
  172    HB3  ASN  22           HB1      ASN  22  40.800   7.626   4.919
  173   HD21  ASN  22          HD21      ASN  22  41.409   5.517   5.982
  174   HD22  ASN  22          HD22      ASN  22  40.227   4.204   5.975
  175    H    HIS  23           HN       HIS  23  40.355   8.536   1.217
  176    HA   HIS  23           HA       HIS  23  41.254  10.538   0.461
  177    HB2  HIS  23           HB2      HIS  23  38.860  11.495   2.074
  178    HB3  HIS  23           HB1      HIS  23  39.875  12.614   1.135
  179    HD1  HIS  23           HD1      HIS  23  39.527   9.207  -0.317
  180    HD2  HIS  23           HD2      HIS  23  37.520  12.894  -0.606
  181    HE1  HIS  23           HE1      HIS  23  38.050   9.109  -2.400
  182    H    HIS  24           HN       HIS  24  40.163  12.305   3.267
  183    HA   HIS  24           HA       HIS  24  42.824  13.213   3.875
  184    HB2  HIS  24           HB2      HIS  24  40.727  14.472   4.391
  185    HB3  HIS  24           HB1      HIS  24  40.350  13.270   5.649
  186    HD1  HIS  24           HD1      HIS  24  40.828  14.370   7.843
  187    HD2  HIS  24           HD2      HIS  24  43.801  15.192   4.983
  188    HE1  HIS  24           HE1      HIS  24  42.684  15.669   9.025
  Start of MODEL   23
    1    H1   PHE   1           HT1      PHE   1  54.353   4.260   6.319
    2    H2   PHE   1           HT2      PHE   1  55.581   5.375   6.693
    3    H3   PHE   1           HT3      PHE   1  55.155   4.166   7.810
    4    HA   PHE   1           HA       PHE   1  57.238   3.967   6.269
    5    HB2  PHE   1           HB2      PHE   1  56.515   2.384   8.036
    6    HB3  PHE   1           HB1      PHE   1  55.334   1.678   6.905
    7    HD1  PHE   1           HD1      PHE   1  56.005  -0.066   5.436
    8    HD2  PHE   1           HD2      PHE   1  59.002   2.448   7.265
    9    HE1  PHE   1           HE1      PHE   1  57.798  -1.519   4.498
   10    HE2  PHE   1           HE2      PHE   1  60.792   0.992   6.326
   11    HZ   PHE   1           HZ       PHE   1  60.193  -0.950   4.886
   12    H    LEU   2           HN       LEU   2  56.099   5.201   4.322
   13    HA   LEU   2           HA       LEU   2  54.737   3.480   2.404
   14    HB2  LEU   2           HB2      LEU   2  56.181   6.083   1.788
   15    HB3  LEU   2           HB1      LEU   2  54.786   5.367   0.947
   16    HG   LEU   2           HG       LEU   2  54.787   6.422   3.812
   17   HD11  LEU   2          HD11      LEU   2  53.551   7.501   1.238
   18   HD12  LEU   2          HD12      LEU   2  54.925   8.211   2.120
   19   HD13  LEU   2          HD13      LEU   2  53.308   8.183   2.864
   20   HD21  LEU   2          HD21      LEU   2  52.671   5.101   2.059
   21   HD22  LEU   2          HD22      LEU   2  52.236   6.141   3.437
   22   HD23  LEU   2          HD23      LEU   2  53.174   4.656   3.707
   23    H    GLY   3           HN       GLY   3  57.823   5.262   1.982
   24    HA2  GLY   3           HA1      GLY   3  59.707   4.679   0.770
   25    HA3  GLY   3           HA2      GLY   3  59.529   3.094   1.549
   26    H    ALA   4           HN       ALA   4  57.448   4.764  -0.842
   27    HA   ALA   4           HA       ALA   4  58.346   3.131  -3.054
   28    HB1  ALA   4           HB1      ALA   4  55.627   2.386  -1.939
   29    HB2  ALA   4           HB2      ALA   4  57.105   1.442  -1.634
   30    HB3  ALA   4           HB3      ALA   4  56.497   1.633  -3.296
   31    H    LEU   5           HN       LEU   5  55.097   4.221  -1.974
   32    HA   LEU   5           HA       LEU   5  54.544   5.469  -4.520
   33    HB2  LEU   5           HB2      LEU   5  53.159   6.136  -1.901
   34    HB3  LEU   5           HB1      LEU   5  52.486   6.152  -3.548
   35    HG   LEU   5           HG       LEU   5  53.351   3.700  -1.951
   36   HD11  LEU   5          HD11      LEU   5  51.138   4.816  -1.399
   37   HD12  LEU   5          HD12      LEU   5  50.998   3.135  -1.966
   38   HD13  LEU   5          HD13      LEU   5  50.626   4.481  -3.070
   39   HD21  LEU   5          HD21      LEU   5  53.921   3.216  -4.226
   40   HD22  LEU   5          HD22      LEU   5  52.477   4.050  -4.849
   41   HD23  LEU   5          HD23      LEU   5  52.310   2.498  -3.995
   42    H    ILE   6           HN       ILE   6  54.937   6.962  -1.268
   43    HA   ILE   6           HA       ILE   6  55.535   9.159  -0.689
   44    HB   ILE   6           HB       ILE   6  57.536   9.168  -3.002
   45   HG12  ILE   6          HG12      ILE   6  57.662   7.353  -0.549
   46   HG13  ILE   6          HG11      ILE   6  57.573   6.831  -2.247
   47   HG21  ILE   6          HG21      ILE   6  58.008   9.721  -0.045
   48   HG22  ILE   6          HG22      ILE   6  57.283  10.949  -1.105
   49   HG23  ILE   6          HG23      ILE   6  58.912  10.328  -1.452
   50   HD11  ILE   6           HD1      ILE   6  59.743   8.183  -2.610
   51   HD12  ILE   6           HD2      ILE   6  59.883   6.677  -1.672
   52   HD13  ILE   6           HD3      ILE   6  59.863   8.246  -0.835
   53    H    LYS   7           HN       LYS   7  56.833  10.977  -2.851
   54    HA   LYS   7           HA       LYS   7  55.896  12.868  -3.852
   55    HB2  LYS   7           HB2      LYS   7  53.671  10.993  -4.806
   56    HB3  LYS   7           HB1      LYS   7  54.104  12.571  -5.508
   57    HG2  LYS   7           HG2      LYS   7  56.250  11.722  -6.264
   58    HG3  LYS   7           HG1      LYS   7  56.000  10.187  -5.396
   59    HD2  LYS   7           HD2      LYS   7  54.152   9.585  -6.844
   60    HD3  LYS   7           HD1      LYS   7  54.162  11.194  -7.609
   61    HE2  LYS   7           HE2      LYS   7  56.416   9.142  -7.733
   62    HE3  LYS   7           HE1      LYS   7  55.293   9.540  -9.054
   63    HZ1  LYS   7           HZ1      LYS   7  57.459  11.168  -7.893
   64    HZ2  LYS   7           HZ2      LYS   7  56.128  11.941  -8.612
   65    HZ3  LYS   7           HZ3      LYS   7  57.088  10.875  -9.522
   66    H    GLY   8           HN       GLY   8  55.518  11.656  -1.463
   67    HA2  GLY   8           HA1      GLY   8  54.326  11.372   0.391
   68    HA3  GLY   8           HA2      GLY   8  54.128  13.162   0.259
   69    H    ALA   9           HN       ALA   9  52.674  10.059   0.095
   70    HA   ALA   9           HA       ALA   9  50.547   9.303  -0.359
   71    HB1  ALA   9           HB1      ALA   9  48.786  10.543   0.851
   72    HB2  ALA   9           HB2      ALA   9  49.904  11.913   1.056
   73    HB3  ALA   9           HB3      ALA   9  50.255  10.354   1.837
   74    H    ILE  10           HN       ILE  10  51.698  10.547  -2.556
   75    HA   ILE  10           HA       ILE  10  51.243  11.811  -4.466
   76    HB   ILE  10           HB       ILE  10  48.804  11.068  -5.386
   77   HG12  ILE  10          HG12      ILE  10  49.414   9.039  -3.178
   78   HG13  ILE  10          HG11      ILE  10  48.071  10.198  -3.164
   79   HG21  ILE  10          HG21      ILE  10  49.823   9.060  -6.302
   80   HG22  ILE  10          HG22      ILE  10  51.033   9.018  -4.999
   81   HG23  ILE  10          HG23      ILE  10  51.077  10.313  -6.219
   82   HD11  ILE  10           HD1      ILE  10  47.023   8.264  -3.993
   83   HD12  ILE  10           HD2      ILE  10  48.458   7.758  -4.912
   84   HD13  ILE  10           HD3      ILE  10  47.455   9.110  -5.497
   85    H    HIS  11           HN       HIS  11  47.802  11.794  -3.772
   86    HA   HIS  11           HA       HIS  11  47.472  14.532  -4.286
   87    HB2  HIS  11           HB2      HIS  11  45.296  14.319  -3.177
   88    HB3  HIS  11           HB1      HIS  11  45.619  12.905  -4.207
   89    HD1  HIS  11           HD1      HIS  11  46.240  13.917  -0.536
   90    HD2  HIS  11           HD2      HIS  11  45.100  10.580  -2.828
   91    HE1  HIS  11           HE1      HIS  11  45.837  11.982   1.082
   92    H    GLY  12           HN       GLY  12  49.154  13.154  -1.660
   93    HA2  GLY  12           HA1      GLY  12  48.346  14.867   0.474
   94    HA3  GLY  12           HA2      GLY  12  49.959  14.154   0.284
   95    H    GLY  13           HN       GLY  13  49.603  15.622  -2.523
   96    HA2  GLY  13           HA1      GLY  13  49.922  18.422  -1.812
   97    HA3  GLY  13           HA2      GLY  13  51.466  17.636  -2.200
   98    H    ARG  14           HN       ARG  14  50.004  15.734  -4.052
   99    HA   ARG  14           HA       ARG  14  50.381  17.302  -6.445
  100    HB2  ARG  14           HB2      ARG  14  50.715  14.822  -6.288
  101    HB3  ARG  14           HB1      ARG  14  48.957  14.631  -6.124
  102    HG2  ARG  14           HG2      ARG  14  49.579  14.264  -8.457
  103    HG3  ARG  14           HG1      ARG  14  48.658  15.776  -8.340
  104    HD2  ARG  14           HD2      ARG  14  50.541  17.110  -8.770
  105    HD3  ARG  14           HD1      ARG  14  51.683  15.888  -8.158
  106    HE   ARG  14           HE       ARG  14  50.647  16.066 -10.884
  107   HH11  ARG  14          HH11      ARG  14  53.130  14.830  -9.160
  108   HH12  ARG  14          HH12      ARG  14  53.165  13.269  -9.910
  109   HH21  ARG  14          HH21      ARG  14  50.133  13.692 -11.540
  110   HH22  ARG  14          HH22      ARG  14  51.467  12.625 -11.258
  111    H    PHE  15           HN       PHE  15  47.631  16.566  -4.384
  112    HA   PHE  15           HA       PHE  15  45.417  16.899  -5.981
  113    HB2  PHE  15           HB2      PHE  15  45.416  16.662  -3.490
  114    HB3  PHE  15           HB1      PHE  15  45.850  18.383  -3.360
  115    HD1  PHE  15           HD1      PHE  15  43.186  15.970  -4.196
  116    HD2  PHE  15           HD2      PHE  15  44.267  20.147  -4.069
  117    HE1  PHE  15           HE1      PHE  15  40.787  16.599  -4.439
  118    HE2  PHE  15           HE2      PHE  15  41.868  20.776  -4.313
  119    HZ   PHE  15           HZ       PHE  15  40.137  19.001  -4.566
  120    H    ILE  16           HN       ILE  16  47.518  19.553  -4.781
  121    HA   ILE  16           HA       ILE  16  45.933  21.557  -6.247
  122    HB   ILE  16           HB       ILE  16  48.667  21.971  -4.965
  123   HG12  ILE  16          HG12      ILE  16  45.888  22.098  -3.699
  124   HG13  ILE  16          HG11      ILE  16  47.140  20.888  -3.336
  125   HG21  ILE  16          HG21      ILE  16  46.306  23.873  -5.287
  126   HG22  ILE  16          HG22      ILE  16  47.594  23.727  -6.505
  127   HG23  ILE  16          HG23      ILE  16  47.983  24.281  -4.862
  128   HD11  ILE  16           HD1      ILE  16  47.142  23.859  -2.705
  129   HD12  ILE  16           HD2      ILE  16  48.654  22.918  -2.739
  130   HD13  ILE  16           HD3      ILE  16  47.362  22.487  -1.597
  131    H    HIS  17           HN       HIS  17  49.531  21.152  -6.335
  132    HA   HIS  17           HA       HIS  17  49.460  20.571  -9.211
  133    HB2  HIS  17           HB2      HIS  17  48.965  23.046  -9.114
  134    HB3  HIS  17           HB1      HIS  17  50.547  23.274  -8.332
  135    HD1  HIS  17           HD1      HIS  17  52.206  24.066 -10.010
  136    HD2  HIS  17           HD2      HIS  17  49.604  21.175 -11.612
  137    HE1  HIS  17           HE1      HIS  17  52.927  23.648 -12.425
  138    H    GLY  18           HN       GLY  18  50.561  18.948  -7.490
  139    HA2  GLY  18           HA1      GLY  18  52.581  17.878  -7.083
  140    HA3  GLY  18           HA2      GLY  18  53.364  19.044  -8.138
  141    H    MET  19           HN       MET  19  51.712  18.950  -5.046
  142    HA   MET  19           HA       MET  19  52.195  20.228  -3.223
  143    HB2  MET  19           HB2      MET  19  53.651  18.086  -3.240
  144    HB3  MET  19           HB1      MET  19  54.974  19.258  -3.377
  145    HG2  MET  19           HG2      MET  19  54.262  20.343  -1.275
  146    HG3  MET  19           HG1      MET  19  52.870  19.244  -1.162
  147    HE1  MET  19           HE1      MET  19  54.123  15.975   0.042
  148    HE2  MET  19           HE2      MET  19  53.411  16.468  -1.512
  149    HE3  MET  19           HE3      MET  19  52.826  17.191   0.005
  150    H    ILE  20           HN       ILE  20  52.742  21.657  -5.749
  151    HA   ILE  20           HA       ILE  20  53.723  23.690  -6.311
  152    HB   ILE  20           HB       ILE  20  53.700  24.047  -3.266
  153   HG12  ILE  20          HG12      ILE  20  51.887  25.656  -3.798
  154   HG13  ILE  20          HG11      ILE  20  52.061  25.279  -5.527
  155   HG21  ILE  20          HG21      ILE  20  54.683  25.891  -5.474
  156   HG22  ILE  20          HG22      ILE  20  55.494  25.449  -3.953
  157   HG23  ILE  20          HG23      ILE  20  54.085  26.531  -3.923
  158   HD11  ILE  20           HD1      ILE  20  50.206  24.044  -4.124
  159   HD12  ILE  20           HD2      ILE  20  51.551  23.043  -3.536
  160   HD13  ILE  20           HD3      ILE  20  51.177  23.107  -5.277
  161    H    GLN  21           HN       GLN  21  55.078  21.168  -4.577
  162    HA   GLN  21           HA       GLN  21  57.903  22.243  -5.025
  163    HB2  GLN  21           HB2      GLN  21  57.137  21.799  -2.604
  164    HB3  GLN  21           HB1      GLN  21  57.139  20.075  -3.038
  165    HG2  GLN  21           HG2      GLN  21  59.515  20.258  -3.740
  166    HG3  GLN  21           HG1      GLN  21  59.513  21.975  -3.273
  167   HE21  GLN  21          HE21      GLN  21  60.052  22.450  -1.132
  168   HE22  GLN  21          HE22      GLN  21  60.085  21.249   0.165
  169    H    ASN  22           HN       ASN  22  55.635  19.460  -5.364
  170    HA   ASN  22           HA       ASN  22  57.768  17.845  -6.632
  171    HB2  ASN  22           HB2      ASN  22  54.764  17.453  -6.288
  172    HB3  ASN  22           HB1      ASN  22  55.830  16.296  -7.117
  173   HD21  ASN  22          HD21      ASN  22  56.305  14.588  -5.737
  174   HD22  ASN  22          HD22      ASN  22  56.662  14.769  -4.016
  175    H    HIS  23           HN       HIS  23  55.102  20.016  -7.305
  176    HA   HIS  23           HA       HIS  23  54.387  20.958  -9.328
  177    HB2  HIS  23           HB2      HIS  23  57.296  20.403 -10.028
  178    HB3  HIS  23           HB1      HIS  23  56.194  21.338 -11.066
  179    HD1  HIS  23           HD1      HIS  23  54.754  23.236  -9.393
  180    HD2  HIS  23           HD2      HIS  23  58.741  22.210  -8.535
  181    HE1  HIS  23           HE1      HIS  23  55.713  25.082  -7.910
  182    H    HIS  24           HN       HIS  24  54.267  20.602 -11.813
  183    HA   HIS  24           HA       HIS  24  54.610  17.844 -12.718
  184    HB2  HIS  24           HB2      HIS  24  52.595  17.596 -11.282
  185    HB3  HIS  24           HB1      HIS  24  51.780  18.860 -12.233
  186    HD1  HIS  24           HD1      HIS  24  50.008  17.447 -13.390
  187    HD2  HIS  24           HD2      HIS  24  53.878  15.858 -13.799
  188    HE1  HIS  24           HE1      HIS  24  49.880  15.563 -15.110
  Start of MODEL   24
    1    H1   PHE   1           HT1      PHE   1  58.187  -2.326   0.587
    2    H2   PHE   1           HT2      PHE   1  58.804  -3.519   1.629
    3    H3   PHE   1           HT3      PHE   1  59.834  -2.723   0.538
    4    HA   PHE   1           HA       PHE   1  59.090  -2.009   3.151
    5    HB2  PHE   1           HB2      PHE   1  61.390  -2.038   2.215
    6    HB3  PHE   1           HB1      PHE   1  60.945  -0.714   1.112
    7    HD1  PHE   1           HD1      PHE   1  60.389   1.542   2.001
    8    HD2  PHE   1           HD2      PHE   1  61.750  -1.635   4.586
    9    HE1  PHE   1           HE1      PHE   1  60.866   3.205   3.795
   10    HE2  PHE   1           HE2      PHE   1  62.226   0.028   6.380
   11    HZ   PHE   1           HZ       PHE   1  61.854   2.456   5.956
   12    H    LEU   2           HN       LEU   2  59.040  -0.214   0.035
   13    HA   LEU   2           HA       LEU   2  57.992   2.200   1.000
   14    HB2  LEU   2           HB2      LEU   2  56.852   2.273  -1.385
   15    HB3  LEU   2           HB1      LEU   2  58.624   2.265  -1.254
   16    HG   LEU   2           HG       LEU   2  58.712  -0.125  -1.710
   17   HD11  LEU   2          HD11      LEU   2  56.503  -1.292  -2.338
   18   HD12  LEU   2          HD12      LEU   2  55.678   0.068  -1.540
   19   HD13  LEU   2          HD13      LEU   2  56.767  -0.990  -0.607
   20   HD21  LEU   2          HD21      LEU   2  57.746  -0.136  -4.002
   21   HD22  LEU   2          HD22      LEU   2  58.581   1.396  -3.649
   22   HD23  LEU   2          HD23      LEU   2  56.803   1.318  -3.602
   23    H    GLY   3           HN       GLY   3  55.659   2.954   0.111
   24    HA2  GLY   3           HA1      GLY   3  53.443   1.242   0.250
   25    HA3  GLY   3           HA2      GLY   3  53.800   1.704   1.927
   26    H    ALA   4           HN       ALA   4  54.600   3.894  -0.660
   27    HA   ALA   4           HA       ALA   4  52.054   5.349  -0.552
   28    HB1  ALA   4           HB1      ALA   4  52.899   7.361   0.491
   29    HB2  ALA   4           HB2      ALA   4  54.524   6.651   0.646
   30    HB3  ALA   4           HB3      ALA   4  53.172   5.995   1.599
   31    H    LEU   5           HN       LEU   5  55.005   4.476  -1.902
   32    HA   LEU   5           HA       LEU   5  56.096   5.097  -3.852
   33    HB2  LEU   5           HB2      LEU   5  53.489   6.388  -4.719
   34    HB3  LEU   5           HB1      LEU   5  54.720   5.587  -5.725
   35    HG   LEU   5           HG       LEU   5  52.895   4.247  -3.680
   36   HD11  LEU   5          HD11      LEU   5  51.826   4.893  -5.838
   37   HD12  LEU   5          HD12      LEU   5  51.950   3.126  -5.659
   38   HD13  LEU   5          HD13      LEU   5  53.088   3.996  -6.715
   39   HD21  LEU   5          HD21      LEU   5  54.965   3.050  -3.598
   40   HD22  LEU   5          HD22      LEU   5  55.228   3.220  -5.350
   41   HD23  LEU   5          HD23      LEU   5  53.957   2.133  -4.740
   42    H    ILE   6           HN       ILE   6  55.716   7.095  -1.531
   43    HA   ILE   6           HA       ILE   6  56.183   9.355  -1.084
   44    HB   ILE   6           HB       ILE   6  57.917   9.425  -3.604
   45   HG12  ILE   6          HG12      ILE   6  58.453   7.731  -1.119
   46   HG13  ILE   6          HG11      ILE   6  58.223   7.132  -2.779
   47   HG21  ILE   6          HG21      ILE   6  58.658  10.137  -0.738
   48   HG22  ILE   6          HG22      ILE   6  57.724  11.260  -1.750
   49   HG23  ILE   6          HG23      ILE   6  59.352  10.755  -2.255
   50   HD11  ILE   6           HD1      ILE   6  60.225   8.627  -3.426
   51   HD12  ILE   6           HD2      ILE   6  60.587   7.179  -2.456
   52   HD13  ILE   6           HD3      ILE   6  60.529   8.779  -1.680
   53    H    LYS   7           HN       LYS   7  57.095  11.175  -3.443
   54    HA   LYS   7           HA       LYS   7  55.910  12.951  -4.392
   55    HB2  LYS   7           HB2      LYS   7  53.785  10.839  -5.041
   56    HB3  LYS   7           HB1      LYS   7  53.937  12.443  -5.798
   57    HG2  LYS   7           HG2      LYS   7  56.235  11.770  -6.603
   58    HG3  LYS   7           HG1      LYS   7  55.912  10.129  -5.993
   59    HD2  LYS   7           HD2      LYS   7  53.966   9.921  -7.472
   60    HD3  LYS   7           HD1      LYS   7  54.187  11.596  -8.035
   61    HE2  LYS   7           HE2      LYS   7  56.353  11.034  -9.011
   62    HE3  LYS   7           HE1      LYS   7  56.268   9.387  -8.340
   63    HZ1  LYS   7           HZ1      LYS   7  55.239   8.806 -10.203
   64    HZ2  LYS   7           HZ2      LYS   7  55.125  10.417 -10.733
   65    HZ3  LYS   7           HZ3      LYS   7  53.916   9.761  -9.736
   66    H    GLY   8           HN       GLY   8  55.893  11.815  -1.936
   67    HA2  GLY   8           HA1      GLY   8  54.944  11.523   0.050
   68    HA3  GLY   8           HA2      GLY   8  54.593  13.288  -0.119
   69    H    ALA   9           HN       ALA   9  53.378  10.093   0.036
   70    HA   ALA   9           HA       ALA   9  51.274   9.160  -0.147
   71    HB1  ALA   9           HB1      ALA   9  51.108  10.214   2.025
   72    HB2  ALA   9           HB2      ALA   9  49.553  10.407   1.181
   73    HB3  ALA   9           HB3      ALA   9  50.689  11.774   1.282
   74    H    ILE  10           HN       ILE  10  52.032  10.326  -2.524
   75    HA   ILE  10           HA       ILE  10  51.264  11.453  -4.416
   76    HB   ILE  10           HB       ILE  10  48.771  10.550  -4.968
   77   HG12  ILE  10          HG12      ILE  10  49.755   8.685  -2.749
   78   HG13  ILE  10          HG11      ILE  10  48.364   9.782  -2.627
   79   HG21  ILE  10          HG21      ILE  10  50.956   9.842  -6.044
   80   HG22  ILE  10          HG22      ILE  10  49.762   8.539  -5.903
   81   HG23  ILE  10          HG23      ILE  10  51.127   8.620  -4.764
   82   HD11  ILE  10           HD1      ILE  10  47.522   8.528  -4.801
   83   HD12  ILE  10           HD2      ILE  10  47.326   7.756  -3.210
   84   HD13  ILE  10           HD3      ILE  10  48.659   7.261  -4.278
   85    H    HIS  11           HN       HIS  11  47.944  11.330  -3.292
   86    HA   HIS  11           HA       HIS  11  47.439  14.031  -3.885
   87    HB2  HIS  11           HB2      HIS  11  45.412  13.786  -2.526
   88    HB3  HIS  11           HB1      HIS  11  45.675  12.349  -3.542
   89    HD1  HIS  11           HD1      HIS  11  46.384  10.131  -2.385
   90    HD2  HIS  11           HD2      HIS  11  45.855  13.343   0.277
   91    HE1  HIS  11           HE1      HIS  11  46.325   9.161  -0.023
   92    H    GLY  12           HN       GLY  12  49.480  12.865  -1.433
   93    HA2  GLY  12           HA1      GLY  12  48.814  14.653   0.705
   94    HA3  GLY  12           HA2      GLY  12  50.418  13.957   0.396
   95    H    GLY  13           HN       GLY  13  49.680  15.295  -2.429
   96    HA2  GLY  13           HA1      GLY  13  49.998  18.118  -1.924
   97    HA3  GLY  13           HA2      GLY  13  51.543  17.366  -2.365
   98    H    ARG  14           HN       ARG  14  49.980  15.296  -3.962
   99    HA   ARG  14           HA       ARG  14  50.175  16.661  -6.494
  100    HB2  ARG  14           HB2      ARG  14  50.571  14.259  -6.312
  101    HB3  ARG  14           HB1      ARG  14  48.916  13.995  -5.725
  102    HG2  ARG  14           HG2      ARG  14  49.179  13.439  -8.150
  103    HG3  ARG  14           HG1      ARG  14  47.989  14.727  -7.880
  104    HD2  ARG  14           HD2      ARG  14  49.426  16.401  -8.724
  105    HD3  ARG  14           HD1      ARG  14  50.890  15.428  -8.443
  106    HE   ARG  14           HE       ARG  14  49.169  15.306 -10.803
  107   HH11  ARG  14          HH11      ARG  14  51.036  13.386  -8.645
  108   HH12  ARG  14          HH12      ARG  14  51.663  12.355  -9.887
  109   HH21  ARG  14          HH21      ARG  14  50.109  14.072 -12.466
  110   HH22  ARG  14          HH22      ARG  14  51.140  12.743 -12.050
  111    H    PHE  15           HN       PHE  15  47.527  15.946  -4.249
  112    HA   PHE  15           HA       PHE  15  45.240  16.241  -5.739
  113    HB2  PHE  15           HB2      PHE  15  45.291  16.022  -3.275
  114    HB3  PHE  15           HB1      PHE  15  45.824  17.714  -3.140
  115    HD1  PHE  15           HD1      PHE  15  44.278  19.553  -3.481
  116    HD2  PHE  15           HD2      PHE  15  43.022  15.479  -4.155
  117    HE1  PHE  15           HE1      PHE  15  41.907  20.305  -3.600
  118    HE2  PHE  15           HE2      PHE  15  40.649  16.231  -4.275
  119    HZ   PHE  15           HZ       PHE  15  40.086  18.632  -3.916
  120    H    ILE  16           HN       ILE  16  47.450  18.883  -4.787
  121    HA   ILE  16           HA       ILE  16  45.758  20.895  -6.122
  122    HB   ILE  16           HB       ILE  16  48.629  21.371  -5.222
  123   HG12  ILE  16          HG12      ILE  16  46.132  21.178  -3.479
  124   HG13  ILE  16          HG11      ILE  16  47.573  20.139  -3.384
  125   HG21  ILE  16          HG21      ILE  16  46.138  23.113  -5.010
  126   HG22  ILE  16          HG22      ILE  16  47.204  23.119  -6.436
  127   HG23  ILE  16          HG23      ILE  16  47.837  23.617  -4.851
  128   HD11  ILE  16           HD1      ILE  16  47.289  23.063  -2.624
  129   HD12  ILE  16           HD2      ILE  16  48.887  22.374  -3.002
  130   HD13  ILE  16           HD3      ILE  16  47.927  21.716  -1.656
  131    H    HIS  17           HN       HIS  17  49.307  20.351  -6.553
  132    HA   HIS  17           HA       HIS  17  49.032  19.581  -9.326
  133    HB2  HIS  17           HB2      HIS  17  48.371  21.947  -9.597
  134    HB3  HIS  17           HB1      HIS  17  49.864  22.461  -8.774
  135    HD1  HIS  17           HD1      HIS  17  48.806  20.374 -11.831
  136    HD2  HIS  17           HD2      HIS  17  51.968  22.825 -10.527
  137    HE1  HIS  17           HE1      HIS  17  50.463  20.574 -13.765
  138    H    GLY  18           HN       GLY  18  50.358  18.144  -7.735
  139    HA2  GLY  18           HA1      GLY  18  52.465  17.287  -7.262
  140    HA3  GLY  18           HA2      GLY  18  53.110  18.372  -8.492
  141    H    MET  19           HN       MET  19  51.510  18.740  -5.367
  142    HA   MET  19           HA       MET  19  52.086  20.245  -3.753
  143    HB2  MET  19           HB2      MET  19  53.504  18.216  -3.384
  144    HB3  MET  19           HB1      MET  19  54.816  19.166  -4.096
  145    HG2  MET  19           HG2      MET  19  54.939  20.627  -2.246
  146    HG3  MET  19           HG1      MET  19  53.259  20.309  -1.752
  147    HE1  MET  19           HE1      MET  19  55.527  20.550   0.135
  148    HE2  MET  19           HE2      MET  19  55.558  19.119   1.193
  149    HE3  MET  19           HE3      MET  19  54.014  19.931   0.840
  150    H    ILE  20           HN       ILE  20  52.499  21.205  -6.553
  151    HA   ILE  20           HA       ILE  20  53.362  23.143  -7.500
  152    HB   ILE  20           HB       ILE  20  53.207  24.009  -4.571
  153   HG12  ILE  20          HG12      ILE  20  51.491  25.524  -5.438
  154   HG13  ILE  20          HG11      ILE  20  51.870  25.045  -7.110
  155   HG21  ILE  20          HG21      ILE  20  55.143  25.222  -5.323
  156   HG22  ILE  20          HG22      ILE  20  53.775  26.350  -5.463
  157   HG23  ILE  20          HG23      ILE  20  54.412  25.538  -6.913
  158   HD11  ILE  20           HD1      ILE  20  49.833  23.909  -6.063
  159   HD12  ILE  20           HD2      ILE  20  50.968  23.054  -4.991
  160   HD13  ILE  20           HD3      ILE  20  51.051  22.816  -6.754
  161    H    GLN  21           HN       GLN  21  54.886  21.060  -5.344
  162    HA   GLN  21           HA       GLN  21  57.639  22.207  -6.020
  163    HB2  GLN  21           HB2      GLN  21  56.751  20.384  -3.751
  164    HB3  GLN  21           HB1      GLN  21  58.441  20.775  -4.123
  165    HG2  GLN  21           HG2      GLN  21  56.324  22.904  -3.613
  166    HG3  GLN  21           HG1      GLN  21  57.347  22.227  -2.324
  167   HE21  GLN  21          HE21      GLN  21  59.821  22.319  -2.809
  168   HE22  GLN  21          HE22      GLN  21  60.394  23.769  -3.640
  169    H    ASN  22           HN       ASN  22  55.550  19.272  -6.013
  170    HA   ASN  22           HA       ASN  22  57.695  17.711  -7.329
  171    HB2  ASN  22           HB2      ASN  22  54.788  17.159  -6.591
  172    HB3  ASN  22           HB1      ASN  22  55.775  16.023  -7.541
  173   HD21  ASN  22          HD21      ASN  22  54.845  15.110  -5.078
  174   HD22  ASN  22          HD22      ASN  22  56.180  15.058  -3.923
  175    H    HIS  23           HN       HIS  23  54.805  19.633  -7.922
  176    HA   HIS  23           HA       HIS  23  53.725  20.153  -9.946
  177    HB2  HIS  23           HB2      HIS  23  55.199  21.152 -11.613
  178    HB3  HIS  23           HB1      HIS  23  55.787  21.554  -9.984
  179    HD1  HIS  23           HD1      HIS  23  57.896  20.217  -9.085
  180    HD2  HIS  23           HD2      HIS  23  57.024  19.712 -13.166
  181    HE1  HIS  23           HE1      HIS  23  59.929  19.111 -10.167
  182    H    HIS  24           HN       HIS  24  54.678  19.775 -12.661
  183    HA   HIS  24           HA       HIS  24  54.357  18.222 -14.353
  184    HB2  HIS  24           HB2      HIS  24  56.540  17.412 -13.515
  185    HB3  HIS  24           HB1      HIS  24  55.698  16.352 -12.359
  186    HD1  HIS  24           HD1      HIS  24  56.382  16.822 -16.061
  187    HD2  HIS  24           HD2      HIS  24  54.604  14.009 -13.489
  188    HE1  HIS  24           HE1      HIS  24  55.894  14.728 -17.441
  Start of MODEL   25
    1    H1   PHE   1           HT1      PHE   1  55.867   2.196 -13.215
    2    H2   PHE   1           HT2      PHE   1  55.528   2.132 -11.551
    3    H3   PHE   1           HT3      PHE   1  56.827   1.243 -12.194
    4    HA   PHE   1           HA       PHE   1  58.199   2.905 -11.995
    5    HB2  PHE   1           HB2      PHE   1  56.018   4.605 -13.268
    6    HB3  PHE   1           HB1      PHE   1  57.705   5.110 -13.012
    7    HD1  PHE   1           HD1      PHE   1  59.558   4.004 -14.244
    8    HD2  PHE   1           HD2      PHE   1  55.427   3.018 -15.014
    9    HE1  PHE   1           HE1      PHE   1  60.221   2.892 -16.373
   10    HE2  PHE   1           HE2      PHE   1  56.091   1.905 -17.143
   11    HZ   PHE   1           HZ       PHE   1  58.495   1.781 -17.785
   12    H    LEU   2           HN       LEU   2  57.357   2.287  -9.692
   13    HA   LEU   2           HA       LEU   2  56.797   3.013  -7.559
   14    HB2  LEU   2           HB2      LEU   2  57.478   5.809  -8.532
   15    HB3  LEU   2           HB1      LEU   2  57.681   5.124  -6.902
   16    HG   LEU   2           HG       LEU   2  59.201   4.287  -9.414
   17   HD11  LEU   2          HD11      LEU   2  59.818   6.498  -8.354
   18   HD12  LEU   2          HD12      LEU   2  61.126   5.292  -8.327
   19   HD13  LEU   2          HD13      LEU   2  60.183   5.616  -6.852
   20   HD21  LEU   2          HD21      LEU   2  60.561   2.981  -7.625
   21   HD22  LEU   2          HD22      LEU   2  58.978   2.313  -8.084
   22   HD23  LEU   2          HD23      LEU   2  59.154   3.217  -6.560
   23    H    GLY   3           HN       GLY   3  55.913   5.892  -7.076
   24    HA2  GLY   3           HA1      GLY   3  53.934   7.114  -7.073
   25    HA3  GLY   3           HA2      GLY   3  53.351   6.138  -8.437
   26    H    ALA   4           HN       ALA   4  54.308   5.427  -5.048
   27    HA   ALA   4           HA       ALA   4  51.568   4.752  -4.306
   28    HB1  ALA   4           HB1      ALA   4  51.980   2.743  -5.563
   29    HB2  ALA   4           HB2      ALA   4  52.096   2.333  -3.835
   30    HB3  ALA   4           HB3      ALA   4  53.576   2.532  -4.805
   31    H    LEU   5           HN       LEU   5  53.982   6.341  -3.482
   32    HA   LEU   5           HA       LEU   5  53.757   5.785  -0.640
   33    HB2  LEU   5           HB2      LEU   5  55.350   4.020  -1.099
   34    HB3  LEU   5           HB1      LEU   5  56.354   5.107  -2.080
   35    HG   LEU   5           HG       LEU   5  56.984   6.406  -0.123
   36   HD11  LEU   5          HD11      LEU   5  55.014   6.508   1.211
   37   HD12  LEU   5          HD12      LEU   5  56.139   5.534   2.181
   38   HD13  LEU   5          HD13      LEU   5  54.844   4.738   1.255
   39   HD21  LEU   5          HD21      LEU   5  58.226   4.729   1.109
   40   HD22  LEU   5          HD22      LEU   5  58.128   4.192  -0.585
   41   HD23  LEU   5          HD23      LEU   5  57.070   3.458   0.644
   42    H    ILE   6           HN       ILE   6  55.963   7.204  -3.101
   43    HA   ILE   6           HA       ILE   6  56.234   9.672  -1.395
   44    HB   ILE   6           HB       ILE   6  57.932  10.345  -3.080
   45   HG12  ILE   6          HG12      ILE   6  57.114   7.758  -4.490
   46   HG13  ILE   6          HG11      ILE   6  56.884   9.408  -5.108
   47   HG21  ILE   6          HG21      ILE   6  59.591   8.705  -2.539
   48   HG22  ILE   6          HG22      ILE   6  58.377   7.408  -2.417
   49   HG23  ILE   6          HG23      ILE   6  58.440   8.690  -1.184
   50   HD11  ILE   6           HD1      ILE   6  59.472   9.645  -4.855
   51   HD12  ILE   6           HD2      ILE   6  58.850   8.666  -6.205
   52   HD13  ILE   6           HD3      ILE   6  59.474   7.868  -4.744
   53    H    LYS   7           HN       LYS   7  56.728  11.310  -3.894
   54    HA   LYS   7           HA       LYS   7  55.389  12.981  -4.814
   55    HB2  LYS   7           HB2      LYS   7  53.556  10.571  -5.233
   56    HB3  LYS   7           HB1      LYS   7  53.063  12.214  -5.704
   57    HG2  LYS   7           HG2      LYS   7  55.027  12.409  -7.174
   58    HG3  LYS   7           HG1      LYS   7  55.585  10.795  -6.670
   59    HD2  LYS   7           HD2      LYS   7  53.515   9.787  -7.581
   60    HD3  LYS   7           HD1      LYS   7  52.951  11.399  -8.086
   61    HE2  LYS   7           HE2      LYS   7  55.544  10.100  -9.027
   62    HE3  LYS   7           HE1      LYS   7  54.026  10.111  -9.954
   63    HZ1  LYS   7           HZ1      LYS   7  54.864  12.013 -10.770
   64    HZ2  LYS   7           HZ2      LYS   7  55.922  12.255  -9.464
   65    HZ3  LYS   7           HZ3      LYS   7  54.288  12.700  -9.331
   66    H    GLY   8           HN       GLY   8  55.689  11.996  -2.312
   67    HA2  GLY   8           HA1      GLY   8  54.989  11.815  -0.216
   68    HA3  GLY   8           HA2      GLY   8  54.521  13.542  -0.457
   69    H    ALA   9           HN       ALA   9  53.493  10.205  -0.327
   70    HA   ALA   9           HA       ALA   9  51.432   9.220  -0.073
   71    HB1  ALA   9           HB1      ALA   9  50.747  11.941   1.097
   72    HB2  ALA   9           HB2      ALA   9  51.375  10.531   1.984
   73    HB3  ALA   9           HB3      ALA   9  49.750  10.477   1.259
   74    H    ILE  10           HN       ILE  10  51.982  10.188  -2.605
   75    HA   ILE  10           HA       ILE  10  50.873  10.419  -4.603
   76    HB   ILE  10           HB       ILE  10  48.774   9.477  -2.926
   77   HG12  ILE  10          HG12      ILE  10  48.697   9.979  -5.936
   78   HG13  ILE  10          HG11      ILE  10  49.484   8.591  -5.151
   79   HG21  ILE  10          HG21      ILE  10  47.873  11.838  -2.846
   80   HG22  ILE  10          HG22      ILE  10  46.761  10.668  -3.576
   81   HG23  ILE  10          HG23      ILE  10  47.692  11.774  -4.613
   82   HD11  ILE  10           HD1      ILE  10  47.385   7.691  -5.707
   83   HD12  ILE  10           HD2      ILE  10  46.530   9.219  -5.402
   84   HD13  ILE  10           HD3      ILE  10  47.100   8.230  -4.036
   85    H    HIS  11           HN       HIS  11  49.825  12.572  -1.985
   86    HA   HIS  11           HA       HIS  11  50.671  14.913  -3.498
   87    HB2  HIS  11           HB2      HIS  11  47.705  14.335  -3.123
   88    HB3  HIS  11           HB1      HIS  11  48.324  15.991  -3.319
   89    HD1  HIS  11           HD1      HIS  11  46.778  13.566  -5.303
   90    HD2  HIS  11           HD2      HIS  11  50.369  15.702  -5.780
   91    HE1  HIS  11           HE1      HIS  11  47.346  13.556  -7.794
   92    H    GLY  12           HN       GLY  12  49.514  13.203  -0.762
   93    HA2  GLY  12           HA1      GLY  12  50.763  14.315   1.289
   94    HA3  GLY  12           HA2      GLY  12  49.580  15.610   1.004
   95    H    GLY  13           HN       GLY  13  48.768  12.275   0.325
   96    HA2  GLY  13           HA1      GLY  13  47.251  10.846   1.328
   97    HA3  GLY  13           HA2      GLY  13  47.718  11.562   2.886
   98    H    ARG  14           HN       ARG  14  45.840  12.346  -0.068
   99    HA   ARG  14           HA       ARG  14  43.483  12.969   1.555
  100    HB2  ARG  14           HB2      ARG  14  45.129  15.041   1.585
  101    HB3  ARG  14           HB1      ARG  14  44.542  15.304  -0.072
  102    HG2  ARG  14           HG2      ARG  14  42.800  15.084   2.429
  103    HG3  ARG  14           HG1      ARG  14  43.197  16.587   1.565
  104    HD2  ARG  14           HD2      ARG  14  42.180  15.389  -0.531
  105    HD3  ARG  14           HD1      ARG  14  41.451  14.281   0.657
  106    HE   ARG  14           HE       ARG  14  40.786  16.773   1.643
  107   HH11  ARG  14          HH11      ARG  14  40.378  18.426  -0.378
  108   HH12  ARG  14          HH12      ARG  14  39.023  17.877  -1.307
  109   HH21  ARG  14          HH21      ARG  14  39.094  14.664  -0.001
  110   HH22  ARG  14          HH22      ARG  14  38.295  15.748  -1.092
  111    H    PHE  15           HN       PHE  15  44.994  13.807  -1.606
  112    HA   PHE  15           HA       PHE  15  42.651  13.739  -3.165
  113    HB2  PHE  15           HB2      PHE  15  44.937  14.462  -3.924
  114    HB3  PHE  15           HB1      PHE  15  45.398  12.745  -4.022
  115    HD1  PHE  15           HD1      PHE  15  43.047  15.329  -5.355
  116    HD2  PHE  15           HD2      PHE  15  44.684  11.368  -5.863
  117    HE1  PHE  15           HE1      PHE  15  42.005  15.187  -7.614
  118    HE2  PHE  15           HE2      PHE  15  43.643  11.227  -8.122
  119    HZ   PHE  15           HZ       PHE  15  42.393  13.180  -9.037
  120    H    ILE  16           HN       ILE  16  41.300  12.093  -2.345
  121    HA   ILE  16           HA       ILE  16  40.592   9.897  -1.987
  122    HB   ILE  16           HB       ILE  16  39.760  10.328  -4.186
  123   HG12  ILE  16          HG12      ILE  16  41.039   7.629  -4.711
  124   HG13  ILE  16          HG11      ILE  16  40.041   7.802  -3.249
  125   HG21  ILE  16          HG21      ILE  16  41.150   9.748  -6.233
  126   HG22  ILE  16          HG22      ILE  16  42.556   9.616  -5.156
  127   HG23  ILE  16          HG23      ILE  16  41.705  11.168  -5.319
  128   HD11  ILE  16           HD1      ILE  16  39.158   8.467  -6.094
  129   HD12  ILE  16           HD2      ILE  16  38.159   8.626  -4.632
  130   HD13  ILE  16           HD3      ILE  16  38.695   7.017  -5.172
  131    H    HIS  17           HN       HIS  17  42.567   9.639  -0.577
  132    HA   HIS  17           HA       HIS  17  43.698   7.024  -1.139
  133    HB2  HIS  17           HB2      HIS  17  45.190   8.420  -2.559
  134    HB3  HIS  17           HB1      HIS  17  45.605   9.400  -1.133
  135    HD1  HIS  17           HD1      HIS  17  48.004   8.728  -0.708
  136    HD2  HIS  17           HD2      HIS  17  45.478   5.415  -1.269
  137    HE1  HIS  17           HE1      HIS  17  49.356   6.634  -0.144
  138    H    GLY  18           HN       GLY  18  43.076   9.818   0.720
  139    HA2  GLY  18           HA1      GLY  18  43.475   8.316   3.212
  140    HA3  GLY  18           HA2      GLY  18  44.555   9.711   3.011
  141    H    MET  19           HN       MET  19  41.126   8.976   2.330
  142    HA   MET  19           HA       MET  19  39.978  10.712   4.299
  143    HB2  MET  19           HB2      MET  19  41.031  12.398   2.956
  144    HB3  MET  19           HB1      MET  19  40.215  11.763   1.537
  145    HG2  MET  19           HG2      MET  19  38.039  12.383   2.418
  146    HG3  MET  19           HG1      MET  19  38.750  12.790   3.998
  147    HE1  MET  19           HE1      MET  19  37.206  14.749   3.669
  148    HE2  MET  19           HE2      MET  19  36.854  14.788   1.925
  149    HE3  MET  19           HE3      MET  19  37.568  16.211   2.721
  150    H    ILE  20           HN       ILE  20  39.584   9.966   0.799
  151    HA   ILE  20           HA       ILE  20  36.776   9.222   1.147
  152    HB   ILE  20           HB       ILE  20  38.866   8.603  -1.008
  153   HG12  ILE  20          HG12      ILE  20  37.518  10.064  -2.395
  154   HG13  ILE  20          HG11      ILE  20  36.222  10.114  -1.179
  155   HG21  ILE  20          HG21      ILE  20  36.004   7.602  -0.734
  156   HG22  ILE  20          HG22      ILE  20  37.480   6.639  -0.979
  157   HG23  ILE  20          HG23      ILE  20  36.855   7.657  -2.297
  158   HD11  ILE  20           HD1      ILE  20  37.533  11.426   0.322
  159   HD12  ILE  20           HD2      ILE  20  37.801  12.155  -1.279
  160   HD13  ILE  20           HD3      ILE  20  39.038  11.091  -0.567
  161    H    GLN  21           HN       GLN  21  39.768   8.259   2.098
  162    HA   GLN  21           HA       GLN  21  38.914   5.509   2.866
  163    HB2  GLN  21           HB2      GLN  21  41.651   6.559   2.033
  164    HB3  GLN  21           HB1      GLN  21  41.385   4.990   2.831
  165    HG2  GLN  21           HG2      GLN  21  39.908   4.276   0.995
  166    HG3  GLN  21           HG1      GLN  21  40.102   5.860   0.204
  167   HE21  GLN  21          HE21      GLN  21  42.890   4.502   1.887
  168   HE22  GLN  21          HE22      GLN  21  43.776   4.040   0.430
  169    H    ASN  22           HN       ASN  22  40.229   8.807   3.771
  170    HA   ASN  22           HA       ASN  22  40.598   7.605   6.582
  171    HB2  ASN  22           HB2      ASN  22  42.605   8.742   5.373
  172    HB3  ASN  22           HB1      ASN  22  41.761  10.265   5.726
  173   HD21  ASN  22          HD21      ASN  22  40.630   8.664   8.243
  174   HD22  ASN  22          HD22      ASN  22  41.948   8.857   9.403
  175    H    HIS  23           HN       HIS  23  38.164   8.778   5.051
  176    HA   HIS  23           HA       HIS  23  36.437  10.301   5.487
  177    HB2  HIS  23           HB2      HIS  23  37.060   9.243   8.270
  178    HB3  HIS  23           HB1      HIS  23  35.537  10.023   7.778
  179    HD1  HIS  23           HD1      HIS  23  36.959   6.762   8.195
  180    HD2  HIS  23           HD2      HIS  23  34.549   8.513   5.229
  181    HE1  HIS  23           HE1      HIS  23  35.800   4.864   6.938
  182    H    HIS  24           HN       HIS  24  39.260  11.443   5.749
  183    HA   HIS  24           HA       HIS  24  38.437  14.056   6.664
  184    HB2  HIS  24           HB2      HIS  24  38.702  12.996   8.883
  185    HB3  HIS  24           HB1      HIS  24  40.370  12.538   8.461
  186    HD1  HIS  24           HD1      HIS  24  42.069  14.568   7.957
  187    HD2  HIS  24           HD2      HIS  24  38.466  15.583   9.869
  188    HE1  HIS  24           HE1      HIS  24  42.352  16.918   8.915
  Start of MODEL   26
    1    H1   PHE   1           HT1      PHE   1  58.200  -0.610 -10.977
    2    H2   PHE   1           HT2      PHE   1  57.055  -0.585  -9.721
    3    H3   PHE   1           HT3      PHE   1  58.514   0.271  -9.564
    4    HA   PHE   1           HA       PHE   1  57.895   1.697 -11.391
    5    HB2  PHE   1           HB2      PHE   1  55.566   1.605 -12.211
    6    HB3  PHE   1           HB1      PHE   1  56.434   0.090 -12.557
    7    HD1  PHE   1           HD1      PHE   1  56.107  -1.908 -11.029
    8    HD2  PHE   1           HD2      PHE   1  53.630   1.620 -10.787
    9    HE1  PHE   1           HE1      PHE   1  54.397  -3.195  -9.752
   10    HE2  PHE   1           HE2      PHE   1  51.922   0.332  -9.511
   11    HZ   PHE   1           HZ       PHE   1  52.334  -2.058  -8.941
   12    H    LEU   2           HN       LEU   2  56.284   0.448  -8.530
   13    HA   LEU   2           HA       LEU   2  55.329   1.536  -6.720
   14    HB2  LEU   2           HB2      LEU   2  56.809   4.036  -7.598
   15    HB3  LEU   2           HB1      LEU   2  56.393   3.515  -5.949
   16    HG   LEU   2           HG       LEU   2  58.404   2.195  -7.826
   17   HD11  LEU   2          HD11      LEU   2  58.794   3.498  -5.100
   18   HD12  LEU   2          HD12      LEU   2  59.058   4.344  -6.644
   19   HD13  LEU   2          HD13      LEU   2  60.057   2.935  -6.219
   20   HD21  LEU   2          HD21      LEU   2  58.868   0.801  -5.693
   21   HD22  LEU   2          HD22      LEU   2  57.391   0.404  -6.600
   22   HD23  LEU   2          HD23      LEU   2  57.286   1.375  -5.112
   23    H    GLY   3           HN       GLY   3  53.803   3.198  -6.029
   24    HA2  GLY   3           HA1      GLY   3  52.671   5.026  -7.960
   25    HA3  GLY   3           HA2      GLY   3  51.690   3.553  -7.827
   26    H    ALA   4           HN       ALA   4  53.234   3.954  -4.918
   27    HA   ALA   4           HA       ALA   4  51.562   6.020  -3.743
   28    HB1  ALA   4           HB1      ALA   4  50.854   3.129  -3.134
   29    HB2  ALA   4           HB2      ALA   4  49.854   4.263  -4.074
   30    HB3  ALA   4           HB3      ALA   4  50.167   4.569  -2.348
   31    H    LEU   5           HN       LEU   5  53.859   6.468  -3.252
   32    HA   LEU   5           HA       LEU   5  54.460   5.534  -0.553
   33    HB2  LEU   5           HB2      LEU   5  55.363   3.649  -1.915
   34    HB3  LEU   5           HB1      LEU   5  56.384   4.801  -2.801
   35    HG   LEU   5           HG       LEU   5  57.494   5.438  -0.646
   36   HD11  LEU   5          HD11      LEU   5  57.093   3.603   1.235
   37   HD12  LEU   5          HD12      LEU   5  55.515   3.403   0.438
   38   HD13  LEU   5          HD13      LEU   5  55.983   4.983   1.110
   39   HD21  LEU   5          HD21      LEU   5  58.780   3.338  -0.421
   40   HD22  LEU   5          HD22      LEU   5  58.437   3.689  -2.132
   41   HD23  LEU   5          HD23      LEU   5  57.494   2.451  -1.270
   42    H    ILE   6           HN       ILE   6  55.084   7.410  -3.424
   43    HA   ILE   6           HA       ILE   6  56.275   9.567  -1.706
   44    HB   ILE   6           HB       ILE   6  58.004   9.919  -3.689
   45   HG12  ILE   6          HG12      ILE   6  58.691   7.854  -4.835
   46   HG13  ILE   6          HG11      ILE   6  57.413   6.941  -4.001
   47   HG21  ILE   6          HG21      ILE   6  59.610   8.337  -2.607
   48   HG22  ILE   6          HG22      ILE   6  58.247   7.601  -1.731
   49   HG23  ILE   6          HG23      ILE   6  58.689   9.298  -1.427
   50   HD11  ILE   6           HD1      ILE   6  56.740   9.364  -5.707
   51   HD12  ILE   6           HD2      ILE   6  55.684   8.017  -5.214
   52   HD13  ILE   6           HD3      ILE   6  56.949   7.754  -6.436
   53    H    LYS   7           HN       LYS   7  56.960  11.235  -4.031
   54    HA   LYS   7           HA       LYS   7  55.748  12.941  -5.052
   55    HB2  LYS   7           HB2      LYS   7  54.334  10.457  -5.931
   56    HB3  LYS   7           HB1      LYS   7  53.255  11.865  -5.860
   57    HG2  LYS   7           HG2      LYS   7  54.174  11.768  -8.093
   58    HG3  LYS   7           HG1      LYS   7  54.960  13.131  -7.262
   59    HD2  LYS   7           HD2      LYS   7  56.858  11.533  -6.665
   60    HD3  LYS   7           HD1      LYS   7  56.101  10.350  -7.760
   61    HE2  LYS   7           HE2      LYS   7  57.824  11.585  -8.981
   62    HE3  LYS   7           HE1      LYS   7  56.222  12.043  -9.606
   63    HZ1  LYS   7           HZ1      LYS   7  56.673  14.136  -9.090
   64    HZ2  LYS   7           HZ2      LYS   7  58.193  13.693  -8.472
   65    HZ3  LYS   7           HZ3      LYS   7  56.835  13.723  -7.453
   66    H    GLY   8           HN       GLY   8  55.834  11.883  -2.564
   67    HA2  GLY   8           HA1      GLY   8  54.987  11.685  -0.528
   68    HA3  GLY   8           HA2      GLY   8  54.565  13.422  -0.770
   69    H    ALA   9           HN       ALA   9  53.474  10.134  -0.631
   70    HA   ALA   9           HA       ALA   9  51.377   9.154  -0.785
   71    HB1  ALA   9           HB1      ALA   9  49.775  10.186   0.850
   72    HB2  ALA   9           HB2      ALA   9  50.907  11.550   1.017
   73    HB3  ALA   9           HB3      ALA   9  51.407   9.912   1.503
   74    H    ILE  10           HN       ILE  10  51.821  10.604  -3.084
   75    HA   ILE  10           HA       ILE  10  50.807  11.917  -4.728
   76    HB   ILE  10           HB       ILE  10  48.280  10.991  -5.072
   77   HG12  ILE  10          HG12      ILE  10  49.586   8.924  -3.234
   78   HG13  ILE  10          HG11      ILE  10  48.202   9.947  -2.805
   79   HG21  ILE  10          HG21      ILE  10  50.694   9.152  -5.395
   80   HG22  ILE  10          HG22      ILE  10  50.320  10.501  -6.492
   81   HG23  ILE  10          HG23      ILE  10  49.195   9.137  -6.351
   82   HD11  ILE  10           HD1      ILE  10  48.330   7.644  -4.764
   83   HD12  ILE  10           HD2      ILE  10  47.111   8.923  -4.990
   84   HD13  ILE  10           HD3      ILE  10  47.136   7.969  -3.488
   85    H    HIS  11           HN       HIS  11  47.670  11.546  -3.179
   86    HA   HIS  11           HA       HIS  11  47.004  14.267  -3.413
   87    HB2  HIS  11           HB2      HIS  11  45.295  13.751  -1.608
   88    HB3  HIS  11           HB1      HIS  11  45.271  12.672  -3.020
   89    HD1  HIS  11           HD1      HIS  11  45.353  10.228  -2.521
   90    HD2  HIS  11           HD2      HIS  11  46.852  12.542   0.651
   91    HE1  HIS  11           HE1      HIS  11  45.953   8.624  -0.625
   92    H    GLY  12           HN       GLY  12  49.391  12.917  -1.412
   93    HA2  GLY  12           HA1      GLY  12  49.043  14.519   0.948
   94    HA3  GLY  12           HA2      GLY  12  50.571  13.813   0.381
   95    H    GLY  13           HN       GLY  13  49.453  15.444  -2.189
   96    HA2  GLY  13           HA1      GLY  13  50.066  18.185  -1.439
   97    HA3  GLY  13           HA2      GLY  13  51.399  17.403  -2.315
   98    H    ARG  14           HN       ARG  14  49.581  15.663  -3.853
   99    HA   ARG  14           HA       ARG  14  49.210  17.380  -6.116
  100    HB2  ARG  14           HB2      ARG  14  49.550  14.919  -6.255
  101    HB3  ARG  14           HB1      ARG  14  47.949  14.670  -5.533
  102    HG2  ARG  14           HG2      ARG  14  47.800  14.448  -7.971
  103    HG3  ARG  14           HG1      ARG  14  46.910  15.893  -7.453
  104    HD2  ARG  14           HD2      ARG  14  48.509  17.360  -8.358
  105    HD3  ARG  14           HD1      ARG  14  49.821  16.160  -8.257
  106    HE   ARG  14           HE       ARG  14  47.935  16.466 -10.467
  107   HH11  ARG  14          HH11      ARG  14  47.445  13.667  -9.888
  108   HH12  ARG  14          HH12      ARG  14  48.754  12.843 -10.668
  109   HH21  ARG  14          HH21      ARG  14  50.717  15.685 -10.967
  110   HH22  ARG  14          HH22      ARG  14  50.606  13.985 -11.278
  111    H    PHE  15           HN       PHE  15  46.987  16.154  -3.605
  112    HA   PHE  15           HA       PHE  15  44.497  16.806  -4.547
  113    HB2  PHE  15           HB2      PHE  15  45.063  15.992  -2.241
  114    HB3  PHE  15           HB1      PHE  15  45.500  17.660  -1.809
  115    HD1  PHE  15           HD1      PHE  15  42.736  15.350  -2.622
  116    HD2  PHE  15           HD2      PHE  15  43.788  19.435  -1.707
  117    HE1  PHE  15           HE1      PHE  15  40.338  15.871  -2.192
  118    HE2  PHE  15           HE2      PHE  15  41.390  19.955  -1.276
  119    HZ   PHE  15           HZ       PHE  15  39.661  18.184  -1.560
  120    H    ILE  16           HN       ILE  16  46.775  19.180  -3.092
  121    HA   ILE  16           HA       ILE  16  45.009  21.415  -3.526
  122    HB   ILE  16           HB       ILE  16  48.047  21.589  -3.377
  123   HG12  ILE  16          HG12      ILE  16  46.991  20.120  -1.519
  124   HG13  ILE  16          HG11      ILE  16  47.997  21.484  -1.005
  125   HG21  ILE  16          HG21      ILE  16  45.757  23.467  -2.673
  126   HG22  ILE  16          HG22      ILE  16  47.013  23.688  -3.912
  127   HG23  ILE  16          HG23      ILE  16  47.445  23.750  -2.187
  128   HD11  ILE  16           HD1      ILE  16  46.079  22.809  -0.426
  129   HD12  ILE  16           HD2      ILE  16  45.794  21.191   0.256
  130   HD13  ILE  16           HD3      ILE  16  44.964  21.682  -1.235
  131    H    HIS  17           HN       HIS  17  48.232  21.040  -5.086
  132    HA   HIS  17           HA       HIS  17  47.124  21.116  -7.764
  133    HB2  HIS  17           HB2      HIS  17  46.670  23.473  -7.041
  134    HB3  HIS  17           HB1      HIS  17  48.413  23.683  -6.749
  135    HD1  HIS  17           HD1      HIS  17  46.672  21.902  -9.672
  136    HD2  HIS  17           HD2      HIS  17  49.097  25.256  -8.946
  137    HE1  HIS  17           HE1      HIS  17  47.353  22.855 -11.943
  138    H    GLY  18           HN       GLY  18  48.707  19.259  -7.127
  139    HA2  GLY  18           HA1      GLY  18  50.753  18.291  -7.668
  140    HA3  GLY  18           HA2      GLY  18  51.175  19.765  -8.534
  141    H    MET  19           HN       MET  19  50.532  18.825  -5.185
  142    HA   MET  19           HA       MET  19  51.664  19.575  -3.354
  143    HB2  MET  19           HB2      MET  19  52.934  17.611  -4.209
  144    HB3  MET  19           HB1      MET  19  54.066  18.791  -4.899
  145    HG2  MET  19           HG2      MET  19  54.921  19.402  -2.800
  146    HG3  MET  19           HG1      MET  19  53.419  18.984  -1.942
  147    HE1  MET  19           HE1      MET  19  55.635  16.527  -0.145
  148    HE2  MET  19           HE2      MET  19  54.074  17.377  -0.063
  149    HE3  MET  19           HE3      MET  19  55.563  18.284  -0.419
  150    H    ILE  20           HN       ILE  20  51.445  21.614  -5.590
  151    HA   ILE  20           HA       ILE  20  52.219  23.788  -5.861
  152    HB   ILE  20           HB       ILE  20  53.482  23.588  -3.082
  153   HG12  ILE  20          HG12      ILE  20  51.225  22.881  -2.714
  154   HG13  ILE  20          HG11      ILE  20  51.254  24.601  -2.286
  155   HG21  ILE  20          HG21      ILE  20  52.593  25.868  -4.886
  156   HG22  ILE  20          HG22      ILE  20  54.178  25.582  -4.145
  157   HG23  ILE  20          HG23      ILE  20  52.810  26.093  -3.136
  158   HD11  ILE  20           HD1      ILE  20  50.442  25.062  -4.689
  159   HD12  ILE  20           HD2      ILE  20  49.280  24.280  -3.601
  160   HD13  ILE  20           HD3      ILE  20  50.148  23.313  -4.814
  161    H    GLN  21           HN       GLN  21  53.991  21.012  -5.235
  162    HA   GLN  21           HA       GLN  21  56.599  22.301  -6.147
  163    HB2  GLN  21           HB2      GLN  21  56.533  21.107  -3.879
  164    HB3  GLN  21           HB1      GLN  21  56.272  19.600  -4.786
  165    HG2  GLN  21           HG2      GLN  21  58.641  19.758  -4.439
  166    HG3  GLN  21           HG1      GLN  21  58.364  20.201  -6.140
  167   HE21  GLN  21          HE21      GLN  21  58.359  21.891  -2.906
  168   HE22  GLN  21          HE22      GLN  21  59.262  23.290  -3.494
  169    H    ASN  22           HN       ASN  22  54.235  19.627  -6.646
  170    HA   ASN  22           HA       ASN  22  55.805  18.638  -8.957
  171    HB2  ASN  22           HB2      ASN  22  54.598  16.990  -7.603
  172    HB3  ASN  22           HB1      ASN  22  53.079  17.890  -7.805
  173   HD21  ASN  22          HD21      ASN  22  51.769  16.735  -9.224
  174   HD22  ASN  22          HD22      ASN  22  52.336  16.015 -10.735
  175    H    HIS  23           HN       HIS  23  53.142  20.710  -8.011
  176    HA   HIS  23           HA       HIS  23  51.798  22.131  -9.296
  177    HB2  HIS  23           HB2      HIS  23  54.237  21.970 -11.108
  178    HB3  HIS  23           HB1      HIS  23  52.872  23.073 -11.398
  179    HD1  HIS  23           HD1      HIS  23  52.319  24.814  -9.398
  180    HD2  HIS  23           HD2      HIS  23  56.096  22.973  -9.312
  181    HE1  HIS  23           HE1      HIS  23  53.779  26.149  -7.782
  182    H    HIS  24           HN       HIS  24  50.708  22.447 -11.506
  183    HA   HIS  24           HA       HIS  24  49.255  21.493 -13.046
  184    HB2  HIS  24           HB2      HIS  24  51.620  19.622 -13.472
  185    HB3  HIS  24           HB1      HIS  24  50.250  19.839 -14.589
  186    HD1  HIS  24           HD1      HIS  24  50.873  23.057 -13.108
  187    HD2  HIS  24           HD2      HIS  24  52.773  20.817 -16.116
  188    HE1  HIS  24           HE1      HIS  24  52.237  24.687 -14.525
  Start of MODEL   27
    1    H1   PHE   1           HT1      PHE   1  50.325   1.778  -4.905
    2    H2   PHE   1           HT2      PHE   1  51.567   2.626  -4.113
    3    H3   PHE   1           HT3      PHE   1  50.473   1.683  -3.219
    4    HA   PHE   1           HA       PHE   1  52.485   0.504  -3.355
    5    HB2  PHE   1           HB2      PHE   1  50.335  -0.535  -5.242
    6    HB3  PHE   1           HB1      PHE   1  51.708  -1.508  -4.664
    7    HD1  PHE   1           HD1      PHE   1  48.488   0.033  -3.771
    8    HD2  PHE   1           HD2      PHE   1  51.954  -2.037  -2.241
    9    HE1  PHE   1           HE1      PHE   1  47.263  -0.458  -1.657
   10    HE2  PHE   1           HE2      PHE   1  50.728  -2.526  -0.128
   11    HZ   PHE   1           HZ       PHE   1  48.367  -1.778   0.144
   12    H    LEU   2           HN       LEU   2  52.613   2.796  -5.324
   13    HA   LEU   2           HA       LEU   2  53.654   1.648  -7.796
   14    HB2  LEU   2           HB2      LEU   2  54.221   4.447  -6.767
   15    HB3  LEU   2           HB1      LEU   2  54.078   3.886  -8.450
   16    HG   LEU   2           HG       LEU   2  51.831   4.070  -6.394
   17   HD11  LEU   2          HD11      LEU   2  52.383   5.554  -9.003
   18   HD12  LEU   2          HD12      LEU   2  52.516   6.234  -7.363
   19   HD13  LEU   2          HD13      LEU   2  50.927   5.746  -7.998
   20   HD21  LEU   2          HD21      LEU   2  50.419   3.468  -8.475
   21   HD22  LEU   2          HD22      LEU   2  51.348   2.143  -7.736
   22   HD23  LEU   2          HD23      LEU   2  51.945   2.929  -9.218
   23    H    GLY   3           HN       GLY   3  55.935   2.567  -8.504
   24    HA2  GLY   3           HA1      GLY   3  57.841   1.171  -6.826
   25    HA3  GLY   3           HA2      GLY   3  58.197   2.088  -8.302
   26    H    ALA   4           HN       ALA   4  56.389   3.895  -6.059
   27    HA   ALA   4           HA       ALA   4  58.650   4.841  -4.457
   28    HB1  ALA   4           HB1      ALA   4  59.197   5.988  -6.528
   29    HB2  ALA   4           HB2      ALA   4  58.569   7.168  -5.353
   30    HB3  ALA   4           HB3      ALA   4  57.529   6.588  -6.677
   31    H    LEU   5           HN       LEU   5  57.314   4.432  -2.706
   32    HA   LEU   5           HA       LEU   5  54.609   5.475  -2.559
   33    HB2  LEU   5           HB2      LEU   5  56.576   4.334  -0.545
   34    HB3  LEU   5           HB1      LEU   5  55.009   4.996  -0.026
   35    HG   LEU   5           HG       LEU   5  53.834   3.436  -1.545
   36   HD11  LEU   5          HD11      LEU   5  55.352   3.097  -3.350
   37   HD12  LEU   5          HD12      LEU   5  55.308   1.529  -2.512
   38   HD13  LEU   5          HD13      LEU   5  56.681   2.634  -2.260
   39   HD21  LEU   5          HD21      LEU   5  54.242   1.414  -0.264
   40   HD22  LEU   5          HD22      LEU   5  54.478   2.802   0.827
   41   HD23  LEU   5          HD23      LEU   5  55.887   1.951   0.152
   42    H    ILE   6           HN       ILE   6  54.944   7.679  -3.246
   43    HA   ILE   6           HA       ILE   6  55.403   9.440  -0.903
   44    HB   ILE   6           HB       ILE   6  56.867  10.402  -3.393
   45   HG12  ILE   6          HG12      ILE   6  58.094   8.285  -1.564
   46   HG13  ILE   6          HG11      ILE   6  57.631   8.033  -3.265
   47   HG21  ILE   6          HG21      ILE   6  58.215  11.552  -1.819
   48   HG22  ILE   6          HG22      ILE   6  57.840  10.405  -0.510
   49   HG23  ILE   6          HG23      ILE   6  56.605  11.556  -1.066
   50   HD11  ILE   6           HD1      ILE   6  59.178  10.036  -3.803
   51   HD12  ILE   6           HD2      ILE   6  59.964   8.511  -3.328
   52   HD13  ILE   6           HD3      ILE   6  59.809   9.835  -2.150
   53    H    LYS   7           HN       LYS   7  55.490  11.870  -2.443
   54    HA   LYS   7           HA       LYS   7  53.758  13.312  -3.055
   55    HB2  LYS   7           HB2      LYS   7  52.452  11.038  -4.617
   56    HB3  LYS   7           HB1      LYS   7  52.445  12.780  -4.986
   57    HG2  LYS   7           HG2      LYS   7  54.973  12.596  -5.332
   58    HG3  LYS   7           HG1      LYS   7  54.763  10.829  -5.261
   59    HD2  LYS   7           HD2      LYS   7  53.123  10.966  -7.133
   60    HD3  LYS   7           HD1      LYS   7  53.394  12.723  -7.224
   61    HE2  LYS   7           HE2      LYS   7  55.732  12.398  -7.799
   62    HE3  LYS   7           HE1      LYS   7  55.603  10.644  -7.522
   63    HZ1  LYS   7           HZ1      LYS   7  54.513  10.329  -9.463
   64    HZ2  LYS   7           HZ2      LYS   7  55.347  11.739  -9.914
   65    HZ3  LYS   7           HZ3      LYS   7  53.723  11.829  -9.419
   66    H    GLY   8           HN       GLY   8  54.084  11.477  -1.093
   67    HA2  GLY   8           HA1      GLY   8  53.321  10.369   0.625
   68    HA3  GLY   8           HA2      GLY   8  52.076  11.671   0.755
   69    H    ALA   9           HN       ALA   9  52.808   8.814  -1.270
   70    HA   ALA   9           HA       ALA   9  51.518   7.019  -1.929
   71    HB1  ALA   9           HB1      ALA   9  49.971   6.093  -0.382
   72    HB2  ALA   9           HB2      ALA   9  49.646   7.678   0.360
   73    HB3  ALA   9           HB3      ALA   9  51.224   6.889   0.598
   74    H    ILE  10           HN       ILE  10  50.651  10.079  -2.325
   75    HA   ILE  10           HA       ILE  10  48.562   9.407  -4.245
   76    HB   ILE  10           HB       ILE  10  47.010  11.303  -2.969
   77   HG12  ILE  10          HG12      ILE  10  48.119   9.610  -0.689
   78   HG13  ILE  10          HG11      ILE  10  48.716  11.242  -1.052
   79   HG21  ILE  10          HG21      ILE  10  46.374   8.932  -3.780
   80   HG22  ILE  10          HG22      ILE  10  45.483   9.585  -2.395
   81   HG23  ILE  10          HG23      ILE  10  46.765   8.388  -2.134
   82   HD11  ILE  10           HD1      ILE  10  45.893  10.433  -0.241
   83   HD12  ILE  10           HD2      ILE  10  46.297  12.048  -0.874
   84   HD13  ILE  10           HD3      ILE  10  47.024  11.479   0.646
   85    H    HIS  11           HN       HIS  11  48.607  12.430  -2.428
   86    HA   HIS  11           HA       HIS  11  50.380  13.739  -4.416
   87    HB2  HIS  11           HB2      HIS  11  48.012  13.751  -5.359
   88    HB3  HIS  11           HB1      HIS  11  47.550  14.758  -3.966
   89    HD1  HIS  11           HD1      HIS  11  48.504  17.184  -3.831
   90    HD2  HIS  11           HD2      HIS  11  49.571  15.084  -7.315
   91    HE1  HIS  11           HE1      HIS  11  49.503  18.876  -5.463
   92    H    GLY  12           HN       GLY  12  50.227  13.091  -1.469
   93    HA2  GLY  12           HA1      GLY  12  51.142  14.226   0.359
   94    HA3  GLY  12           HA2      GLY  12  51.078  15.749  -0.550
   95    H    GLY  13           HN       GLY  13  48.548  13.368   0.329
   96    HA2  GLY  13           HA1      GLY  13  46.565  13.657   1.479
   97    HA3  GLY  13           HA2      GLY  13  47.397  14.909   2.421
   98    H    ARG  14           HN       ARG  14  47.673  15.747  -0.777
   99    HA   ARG  14           HA       ARG  14  45.811  17.944  -0.478
  100    HB2  ARG  14           HB2      ARG  14  48.035  17.486  -2.019
  101    HB3  ARG  14           HB1      ARG  14  46.771  17.201  -3.231
  102    HG2  ARG  14           HG2      ARG  14  47.046  19.705  -1.498
  103    HG3  ARG  14           HG1      ARG  14  47.502  19.574  -3.213
  104    HD2  ARG  14           HD2      ARG  14  45.038  18.821  -3.604
  105    HD3  ARG  14           HD1      ARG  14  44.731  19.484  -1.979
  106    HE   ARG  14           HE       ARG  14  44.884  21.632  -2.928
  107   HH11  ARG  14          HH11      ARG  14  46.289  19.237  -4.967
  108   HH12  ARG  14          HH12      ARG  14  46.761  20.365  -6.194
  109   HH21  ARG  14          HH21      ARG  14  45.581  23.136  -4.474
  110   HH22  ARG  14          HH22      ARG  14  46.359  22.573  -5.916
  111    H    PHE  15           HN       PHE  15  45.485  14.673  -1.365
  112    HA   PHE  15           HA       PHE  15  43.452  14.765  -3.340
  113    HB2  PHE  15           HB2      PHE  15  44.647  12.708  -2.566
  114    HB3  PHE  15           HB1      PHE  15  43.701  12.767  -1.059
  115    HD1  PHE  15           HD1      PHE  15  41.339  12.189  -1.026
  116    HD2  PHE  15           HD2      PHE  15  43.528  12.294  -4.745
  117    HE1  PHE  15           HE1      PHE  15  39.452  11.032  -2.168
  118    HE2  PHE  15           HE2      PHE  15  41.639  11.137  -5.888
  119    HZ   PHE  15           HZ       PHE  15  39.621  10.465  -4.590
  120    H    ILE  16           HN       ILE  16  43.138  14.636   0.247
  121    HA   ILE  16           HA       ILE  16  40.242  14.936   0.088
  122    HB   ILE  16           HB       ILE  16  41.885  15.523   2.586
  123   HG12  ILE  16          HG12      ILE  16  41.137  12.786   1.446
  124   HG13  ILE  16          HG11      ILE  16  42.786  13.439   1.576
  125   HG21  ILE  16          HG21      ILE  16  39.892  14.596   3.696
  126   HG22  ILE  16          HG22      ILE  16  39.190  14.162   2.121
  127   HG23  ILE  16          HG23      ILE  16  39.396  15.873   2.563
  128   HD11  ILE  16           HD1      ILE  16  42.177  13.717   4.143
  129   HD12  ILE  16           HD2      ILE  16  42.649  12.121   3.515
  130   HD13  ILE  16           HD3      ILE  16  40.932  12.497   3.777
  131    H    HIS  17           HN       HIS  17  42.451  17.119   1.951
  132    HA   HIS  17           HA       HIS  17  41.632  19.431   0.341
  133    HB2  HIS  17           HB2      HIS  17  40.522  19.038   3.150
  134    HB3  HIS  17           HB1      HIS  17  40.605  20.617   2.340
  135    HD1  HIS  17           HD1      HIS  17  38.474  17.674   2.719
  136    HD2  HIS  17           HD2      HIS  17  39.089  20.604  -0.233
  137    HE1  HIS  17           HE1      HIS  17  36.491  17.565   1.112
  138    H    GLY  18           HN       GLY  18  44.017  19.126   0.253
  139    HA2  GLY  18           HA1      GLY  18  46.125  19.881   0.854
  140    HA3  GLY  18           HA2      GLY  18  45.318  21.066   1.881
  141    H    MET  19           HN       MET  19  44.978  17.593   2.258
  142    HA   MET  19           HA       MET  19  45.725  16.357   4.029
  143    HB2  MET  19           HB2      MET  19  47.975  17.563   3.487
  144    HB3  MET  19           HB1      MET  19  47.628  18.406   5.011
  145    HG2  MET  19           HG2      MET  19  47.551  16.281   6.224
  146    HG3  MET  19           HG1      MET  19  47.753  15.370   4.711
  147    HE1  MET  19           HE1      MET  19  51.088  15.008   6.808
  148    HE2  MET  19           HE2      MET  19  49.801  14.113   5.965
  149    HE3  MET  19           HE3      MET  19  49.401  15.141   7.361
  150    H    ILE  20           HN       ILE  20  44.027  18.979   4.181
  151    HA   ILE  20           HA       ILE  20  42.734  19.938   5.849
  152    HB   ILE  20           HB       ILE  20  43.229  17.209   7.149
  153   HG12  ILE  20          HG12      ILE  20  40.738  17.042   6.795
  154   HG13  ILE  20          HG11      ILE  20  40.786  18.620   5.979
  155   HG21  ILE  20          HG21      ILE  20  41.430  17.977   8.823
  156   HG22  ILE  20          HG22      ILE  20  41.778  19.634   8.279
  157   HG23  ILE  20          HG23      ILE  20  43.054  18.662   9.049
  158   HD11  ILE  20           HD1      ILE  20  42.172  17.756   4.213
  159   HD12  ILE  20           HD2      ILE  20  40.872  16.577   4.455
  160   HD13  ILE  20           HD3      ILE  20  42.493  16.255   5.109
  161    H    GLN  21           HN       GLN  21  45.949  18.999   6.025
  162    HA   GLN  21           HA       GLN  21  46.450  20.744   8.471
  163    HB2  GLN  21           HB2      GLN  21  47.150  18.259   8.503
  164    HB3  GLN  21           HB1      GLN  21  48.351  18.693   7.267
  165    HG2  GLN  21           HG2      GLN  21  49.407  20.293   8.769
  166    HG3  GLN  21           HG1      GLN  21  48.119  20.077   9.979
  167   HE21  GLN  21          HE21      GLN  21  47.789  17.335  10.141
  168   HE22  GLN  21          HE22      GLN  21  49.305  16.573  10.630
  169    H    ASN  22           HN       ASN  22  46.416  20.705   5.115
  170    HA   ASN  22           HA       ASN  22  48.551  22.821   5.024
  171    HB2  ASN  22           HB2      ASN  22  48.769  20.319   3.785
  172    HB3  ASN  22           HB1      ASN  22  48.006  21.286   2.502
  173   HD21  ASN  22          HD21      ASN  22  49.187  23.178   1.661
  174   HD22  ASN  22          HD22      ASN  22  50.925  23.329   1.937
  175    H    HIS  23           HN       HIS  23  45.475  21.361   4.080
  176    HA   HIS  23           HA       HIS  23  43.598  22.354   3.070
  177    HB2  HIS  23           HB2      HIS  23  44.761  24.736   4.557
  178    HB3  HIS  23           HB1      HIS  23  43.170  24.762   3.761
  179    HD1  HIS  23           HD1      HIS  23  44.495  24.330   7.000
  180    HD2  HIS  23           HD2      HIS  23  41.660  22.199   4.739
  181    HE1  HIS  23           HE1      HIS  23  43.112  22.931   8.631
  182    H    HIS  24           HN       HIS  24  46.480  22.675   1.811
  183    HA   HIS  24           HA       HIS  24  45.498  23.906  -0.627
  184    HB2  HIS  24           HB2      HIS  24  45.946  25.940   0.792
  185    HB3  HIS  24           HB1      HIS  24  47.654  25.445   0.870
  186    HD1  HIS  24           HD1      HIS  24  44.958  26.260  -1.743
  187    HD2  HIS  24           HD2      HIS  24  49.139  26.329  -1.292
  188    HE1  HIS  24           HE1      HIS  24  45.936  27.297  -3.864
  Start of MODEL   28
    1    H1   PHE   1           HT1      PHE   1  62.406   6.521   4.164
    2    H2   PHE   1           HT2      PHE   1  62.076   4.863   3.998
    3    H3   PHE   1           HT3      PHE   1  63.404   5.381   4.923
    4    HA   PHE   1           HA       PHE   1  61.998   4.988   6.591
    5    HB2  PHE   1           HB2      PHE   1  60.937   7.703   5.730
    6    HB3  PHE   1           HB1      PHE   1  61.097   7.062   7.382
    7    HD1  PHE   1           HD1      PHE   1  63.407   6.607   8.322
    8    HD2  PHE   1           HD2      PHE   1  62.795   8.757   4.630
    9    HE1  PHE   1           HE1      PHE   1  65.728   7.504   8.459
   10    HE2  PHE   1           HE2      PHE   1  65.116   9.655   4.768
   11    HZ   PHE   1           HZ       PHE   1  66.564   9.067   6.709
   12    H    LEU   2           HN       LEU   2  59.846   6.883   4.423
   13    HA   LEU   2           HA       LEU   2  57.535   5.317   5.238
   14    HB2  LEU   2           HB2      LEU   2  57.693   7.085   2.775
   15    HB3  LEU   2           HB1      LEU   2  56.285   6.739   3.808
   16    HG   LEU   2           HG       LEU   2  58.758   8.354   4.574
   17   HD11  LEU   2          HD11      LEU   2  57.228  10.234   4.661
   18   HD12  LEU   2          HD12      LEU   2  55.826   9.171   4.387
   19   HD13  LEU   2          HD13      LEU   2  57.012   9.436   3.086
   20   HD21  LEU   2          HD21      LEU   2  57.328   8.785   6.688
   21   HD22  LEU   2          HD22      LEU   2  58.097   7.188   6.561
   22   HD23  LEU   2          HD23      LEU   2  56.365   7.372   6.190
   23    H    GLY   3           HN       GLY   3  59.547   5.501   2.281
   24    HA2  GLY   3           HA1      GLY   3  59.915   3.887   0.658
   25    HA3  GLY   3           HA2      GLY   3  59.121   2.702   1.713
   26    H    ALA   4           HN       ALA   4  56.885   5.016   1.604
   27    HA   ALA   4           HA       ALA   4  55.095   3.594  -0.067
   28    HB1  ALA   4           HB1      ALA   4  55.111   6.548   0.645
   29    HB2  ALA   4           HB2      ALA   4  54.373   5.239   1.600
   30    HB3  ALA   4           HB3      ALA   4  53.720   5.648  -0.006
   31    H    LEU   5           HN       LEU   5  53.904   5.107  -1.894
   32    HA   LEU   5           HA       LEU   5  55.804   5.031  -4.112
   33    HB2  LEU   5           HB2      LEU   5  53.016   6.229  -4.196
   34    HB3  LEU   5           HB1      LEU   5  53.926   5.434  -5.503
   35    HG   LEU   5           HG       LEU   5  52.807   4.101  -2.996
   36   HD11  LEU   5          HD11      LEU   5  51.357   2.920  -4.585
   37   HD12  LEU   5          HD12      LEU   5  52.135   3.752  -5.952
   38   HD13  LEU   5          HD13      LEU   5  51.157   4.675  -4.786
   39   HD21  LEU   5          HD21      LEU   5  54.588   3.084  -5.250
   40   HD22  LEU   5          HD22      LEU   5  53.586   1.987  -4.268
   41   HD23  LEU   5          HD23      LEU   5  54.855   2.963  -3.495
   42    H    ILE   6           HN       ILE   6  55.910   7.073  -1.747
   43    HA   ILE   6           HA       ILE   6  56.332   9.358  -1.445
   44    HB   ILE   6           HB       ILE   6  57.579   9.548  -4.220
   45   HG12  ILE   6          HG12      ILE   6  58.037   7.170  -3.561
   46   HG13  ILE   6          HG11      ILE   6  59.499   8.166  -3.637
   47   HG21  ILE   6          HG21      ILE   6  58.500  10.225  -1.386
   48   HG22  ILE   6          HG22      ILE   6  57.935  11.361  -2.627
   49   HG23  ILE   6          HG23      ILE   6  59.468  10.492  -2.852
   50   HD11  ILE   6           HD1      ILE   6  59.175   6.577  -1.580
   51   HD12  ILE   6           HD2      ILE   6  58.035   7.808  -1.000
   52   HD13  ILE   6           HD3      ILE   6  59.738   8.237  -1.287
   53    H    LYS   7           HN       LYS   7  56.694  11.224  -3.868
   54    HA   LYS   7           HA       LYS   7  55.250  12.909  -4.577
   55    HB2  LYS   7           HB2      LYS   7  54.356  10.781  -5.976
   56    HB3  LYS   7           HB1      LYS   7  52.968  10.918  -4.875
   57    HG2  LYS   7           HG2      LYS   7  52.273  12.289  -6.654
   58    HG3  LYS   7           HG1      LYS   7  53.021  13.485  -5.573
   59    HD2  LYS   7           HD2      LYS   7  55.120  13.372  -6.876
   60    HD3  LYS   7           HD1      LYS   7  54.413  12.122  -7.927
   61    HE2  LYS   7           HE2      LYS   7  53.189  14.885  -7.563
   62    HE3  LYS   7           HE1      LYS   7  54.332  14.486  -8.868
   63    HZ1  LYS   7           HZ1      LYS   7  52.816  13.204  -9.923
   64    HZ2  LYS   7           HZ2      LYS   7  51.712  14.215  -9.117
   65    HZ3  LYS   7           HZ3      LYS   7  52.071  12.676  -8.494
   66    H    GLY   8           HN       GLY   8  55.707  11.756  -2.172
   67    HA2  GLY   8           HA1      GLY   8  55.114  11.390  -0.061
   68    HA3  GLY   8           HA2      GLY   8  54.611  13.122  -0.144
   69    H    ALA   9           HN       ALA   9  53.604   9.762  -0.358
   70    HA   ALA   9           HA       ALA   9  51.556   8.733  -0.105
   71    HB1  ALA   9           HB1      ALA   9  50.017   9.729   1.540
   72    HB2  ALA   9           HB2      ALA   9  50.929  11.257   1.474
   73    HB3  ALA   9           HB3      ALA   9  51.698   9.788   2.122
   74    H    ILE  10           HN       ILE  10  51.443   9.198  -2.479
   75    HA   ILE  10           HA       ILE  10  50.147   9.755  -4.307
   76    HB   ILE  10           HB       ILE  10  48.143  10.121  -2.061
   77   HG12  ILE  10          HG12      ILE  10  46.876   8.495  -3.428
   78   HG13  ILE  10          HG11      ILE  10  48.112   8.602  -4.705
   79   HG21  ILE  10          HG21      ILE  10  47.455  12.052  -3.240
   80   HG22  ILE  10          HG22      ILE  10  46.408  10.765  -3.880
   81   HG23  ILE  10          HG23      ILE  10  47.810  11.322  -4.826
   82   HD11  ILE  10           HD1      ILE  10  48.758   7.811  -1.835
   83   HD12  ILE  10           HD2      ILE  10  49.798   7.652  -3.272
   84   HD13  ILE  10           HD3      ILE  10  48.354   6.625  -3.100
   85    H    HIS  11           HN       HIS  11  49.189  12.337  -2.004
   86    HA   HIS  11           HA       HIS  11  50.882  14.299  -3.406
   87    HB2  HIS  11           HB2      HIS  11  47.838  14.379  -3.550
   88    HB3  HIS  11           HB1      HIS  11  48.872  15.797  -3.846
   89    HD1  HIS  11           HD1      HIS  11  47.106  13.424  -5.729
   90    HD2  HIS  11           HD2      HIS  11  51.059  14.844  -5.894
   91    HE1  HIS  11           HE1      HIS  11  48.020  12.864  -8.047
   92    H    GLY  12           HN       GLY  12  49.742  12.913  -0.782
   93    HA2  GLY  12           HA1      GLY  12  50.241  13.693   1.428
   94    HA3  GLY  12           HA2      GLY  12  50.078  15.376   0.885
   95    H    GLY  13           HN       GLY  13  47.898  12.585   0.400
   96    HA2  GLY  13           HA1      GLY  13  45.686  12.292   1.004
   97    HA3  GLY  13           HA2      GLY  13  46.042  13.259   2.450
   98    H    ARG  14           HN       ARG  14  46.670  14.684  -0.642
   99    HA   ARG  14           HA       ARG  14  44.592  16.714  -0.131
  100    HB2  ARG  14           HB2      ARG  14  46.804  17.411  -0.932
  101    HB3  ARG  14           HB1      ARG  14  46.639  16.375  -2.367
  102    HG2  ARG  14           HG2      ARG  14  46.150  18.781  -2.851
  103    HG3  ARG  14           HG1      ARG  14  44.759  17.730  -3.182
  104    HD2  ARG  14           HD2      ARG  14  43.570  18.501  -1.294
  105    HD3  ARG  14           HD1      ARG  14  45.045  19.059  -0.466
  106    HE   ARG  14           HE       ARG  14  43.493  20.574  -2.429
  107   HH11  ARG  14          HH11      ARG  14  45.318  21.580  -3.908
  108   HH12  ARG  14          HH12      ARG  14  46.463  22.484  -2.975
  109   HH21  ARG  14          HH21      ARG  14  45.516  21.074   0.047
  110   HH22  ARG  14          HH22      ARG  14  46.575  22.198  -0.736
  111    H    PHE  15           HN       PHE  15  44.959  13.786  -1.919
  112    HA   PHE  15           HA       PHE  15  43.059  14.396  -4.027
  113    HB2  PHE  15           HB2      PHE  15  44.791  12.588  -4.151
  114    HB3  PHE  15           HB1      PHE  15  43.873  11.679  -2.928
  115    HD1  PHE  15           HD1      PHE  15  41.643  10.751  -3.445
  116    HD2  PHE  15           HD2      PHE  15  43.943  12.862  -6.426
  117    HE1  PHE  15           HE1      PHE  15  40.149   9.861  -5.230
  118    HE2  PHE  15           HE2      PHE  15  42.448  11.972  -8.210
  119    HZ   PHE  15           HZ       PHE  15  40.599  10.411  -7.619
  120    H    ILE  16           HN       ILE  16  42.860  13.099  -0.739
  121    HA   ILE  16           HA       ILE  16  40.117  12.185  -1.005
  122    HB   ILE  16           HB       ILE  16  41.864  12.829   1.408
  123   HG12  ILE  16          HG12      ILE  16  41.730  10.348   1.707
  124   HG13  ILE  16          HG11      ILE  16  40.750  10.239   0.229
  125   HG21  ILE  16          HG21      ILE  16  39.639  13.269   2.201
  126   HG22  ILE  16          HG22      ILE  16  39.985  11.597   2.693
  127   HG23  ILE  16          HG23      ILE  16  38.960  11.913   1.272
  128   HD11  ILE  16           HD1      ILE  16  42.558  10.804  -1.171
  129   HD12  ILE  16           HD2      ILE  16  43.354   9.830   0.084
  130   HD13  ILE  16           HD3      ILE  16  43.459  11.605   0.139
  131    H    HIS  17           HN       HIS  17  41.183  14.762   1.296
  132    HA   HIS  17           HA       HIS  17  39.210  16.624   0.019
  133    HB2  HIS  17           HB2      HIS  17  39.086  15.791   2.947
  134    HB3  HIS  17           HB1      HIS  17  38.117  17.075   2.184
  135    HD1  HIS  17           HD1      HIS  17  37.708  13.737   3.231
  136    HD2  HIS  17           HD2      HIS  17  36.755  15.783  -0.317
  137    HE1  HIS  17           HE1      HIS  17  35.949  12.351   1.999
  138    H    GLY  18           HN       GLY  18  42.131  15.951   1.591
  139    HA2  GLY  18           HA1      GLY  18  43.285  18.455   1.241
  140    HA3  GLY  18           HA2      GLY  18  42.532  18.537   2.852
  141    H    MET  19           HN       MET  19  42.874  16.460   4.137
  142    HA   MET  19           HA       MET  19  45.274  15.019   3.843
  143    HB2  MET  19           HB2      MET  19  46.122  17.402   4.421
  144    HB3  MET  19           HB1      MET  19  45.485  17.041   6.040
  145    HG2  MET  19           HG2      MET  19  46.975  15.128   6.266
  146    HG3  MET  19           HG1      MET  19  47.496  15.273   4.572
  147    HE1  MET  19           HE1      MET  19  49.032  15.718   7.909
  148    HE2  MET  19           HE2      MET  19  50.478  16.198   6.991
  149    HE3  MET  19           HE3      MET  19  49.465  14.854   6.415
  150    H    ILE  20           HN       ILE  20  42.469  14.866   4.338
  151    HA   ILE  20           HA       ILE  20  41.053  13.743   5.792
  152    HB   ILE  20           HB       ILE  20  43.694  12.535   6.777
  153   HG12  ILE  20          HG12      ILE  20  42.893  10.533   5.639
  154   HG13  ILE  20          HG11      ILE  20  41.329  11.308   5.294
  155   HG21  ILE  20          HG21      ILE  20  42.334  12.412   8.719
  156   HG22  ILE  20          HG22      ILE  20  42.072  10.848   7.917
  157   HG23  ILE  20          HG23      ILE  20  40.852  12.136   7.772
  158   HD11  ILE  20           HD1      ILE  20  42.279  12.794   3.711
  159   HD12  ILE  20           HD2      ILE  20  43.109  11.254   3.391
  160   HD13  ILE  20           HD3      ILE  20  43.933  12.531   4.312
  161    H    GLN  21           HN       GLN  21  43.389  16.000   6.400
  162    HA   GLN  21           HA       GLN  21  42.124  16.692   9.102
  163    HB2  GLN  21           HB2      GLN  21  44.451  15.657   9.275
  164    HB3  GLN  21           HB1      GLN  21  45.057  17.091   8.416
  165    HG2  GLN  21           HG2      GLN  21  45.301  17.544  10.768
  166    HG3  GLN  21           HG1      GLN  21  43.913  18.507  10.213
  167   HE21  GLN  21          HE21      GLN  21  43.013  18.503  12.426
  168   HE22  GLN  21          HE22      GLN  21  42.241  17.044  13.056
  169    H    ASN  22           HN       ASN  22  43.481  17.767   5.989
  170    HA   ASN  22           HA       ASN  22  43.162  20.616   6.798
  171    HB2  ASN  22           HB2      ASN  22  44.217  19.185   4.341
  172    HB3  ASN  22           HB1      ASN  22  43.864  20.927   4.304
  173   HD21  ASN  22          HD21      ASN  22  46.438  20.651   3.883
  174   HD22  ASN  22          HD22      ASN  22  47.413  20.820   5.346
  175    H    HIS  23           HN       HIS  23  41.552  18.095   4.909
  176    HA   HIS  23           HA       HIS  23  39.551  18.152   3.722
  177    HB2  HIS  23           HB2      HIS  23  38.891  18.515   6.174
  178    HB3  HIS  23           HB1      HIS  23  38.708  20.238   5.768
  179    HD1  HIS  23           HD1      HIS  23  36.547  20.953   4.695
  180    HD2  HIS  23           HD2      HIS  23  37.082  16.783   4.620
  181    HE1  HIS  23           HE1      HIS  23  34.401  19.926   3.764
  182    H    HIS  24           HN       HIS  24  37.679  19.875   2.983
  183    HA   HIS  24           HA       HIS  24  37.247  21.537   1.427
  184    HB2  HIS  24           HB2      HIS  24  39.526  23.027   2.786
  185    HB3  HIS  24           HB1      HIS  24  38.191  23.729   1.840
  186    HD1  HIS  24           HD1      HIS  24  39.169  22.995   5.251
  187    HD2  HIS  24           HD2      HIS  24  35.534  22.924   3.139
  188    HE1  HIS  24           HE1      HIS  24  37.285  23.094   6.974
  Start of MODEL   29
    1    H1   PHE   1           HT1      PHE   1  62.788   6.986   5.114
    2    H2   PHE   1           HT2      PHE   1  63.802   5.819   5.820
    3    H3   PHE   1           HT3      PHE   1  63.432   7.250   6.659
    4    HA   PHE   1           HA       PHE   1  62.095   4.809   6.673
    5    HB2  PHE   1           HB2      PHE   1  61.576   7.517   7.960
    6    HB3  PHE   1           HB1      PHE   1  60.731   6.014   8.403
    7    HD1  PHE   1           HD1      PHE   1  61.842   4.268   9.671
    8    HD2  PHE   1           HD2      PHE   1  64.027   7.745   8.342
    9    HE1  PHE   1           HE1      PHE   1  63.743   3.641  11.155
   10    HE2  PHE   1           HE2      PHE   1  65.928   7.117   9.827
   11    HZ   PHE   1           HZ       PHE   1  65.799   5.046  11.206
   12    H    LEU   2           HN       LEU   2  61.714   5.594   4.073
   13    HA   LEU   2           HA       LEU   2  59.190   7.012   3.741
   14    HB2  LEU   2           HB2      LEU   2  60.469   5.123   1.736
   15    HB3  LEU   2           HB1      LEU   2  59.431   6.534   1.422
   16    HG   LEU   2           HG       LEU   2  62.248   6.589   2.594
   17   HD11  LEU   2          HD11      LEU   2  62.043   6.121   0.130
   18   HD12  LEU   2          HD12      LEU   2  62.854   7.665   0.489
   19   HD13  LEU   2          HD13      LEU   2  61.157   7.655  -0.047
   20   HD21  LEU   2          HD21      LEU   2  61.080   8.405   3.614
   21   HD22  LEU   2          HD22      LEU   2  60.150   8.750   2.135
   22   HD23  LEU   2          HD23      LEU   2  61.887   9.134   2.207
   23    H    GLY   3           HN       GLY   3  57.763   5.520   1.939
   24    HA2  GLY   3           HA1      GLY   3  57.243   2.839   2.878
   25    HA3  GLY   3           HA2      GLY   3  56.077   3.986   3.565
   26    H    ALA   4           HN       ALA   4  55.041   5.507   1.934
   27    HA   ALA   4           HA       ALA   4  53.836   3.845  -0.132
   28    HB1  ALA   4           HB1      ALA   4  52.484   5.801  -0.613
   29    HB2  ALA   4           HB2      ALA   4  53.592   6.839   0.316
   30    HB3  ALA   4           HB3      ALA   4  52.617   5.603   1.150
   31    H    LEU   5           HN       LEU   5  53.431   5.362  -2.301
   32    HA   LEU   5           HA       LEU   5  56.034   5.206  -3.641
   33    HB2  LEU   5           HB2      LEU   5  53.214   5.931  -4.508
   34    HB3  LEU   5           HB1      LEU   5  54.599   6.096  -5.612
   35    HG   LEU   5           HG       LEU   5  55.152   3.688  -5.240
   36   HD11  LEU   5          HD11      LEU   5  52.676   3.857  -3.479
   37   HD12  LEU   5          HD12      LEU   5  54.274   3.171  -3.093
   38   HD13  LEU   5          HD13      LEU   5  53.189   2.317  -4.210
   39   HD21  LEU   5          HD21      LEU   5  53.712   4.432  -7.136
   40   HD22  LEU   5          HD22      LEU   5  52.273   4.197  -6.116
   41   HD23  LEU   5          HD23      LEU   5  53.277   2.801  -6.574
   42    H    ILE   6           HN       ILE   6  55.911   7.139  -1.492
   43    HA   ILE   6           HA       ILE   6  56.319   9.414  -1.044
   44    HB   ILE   6           HB       ILE   6  57.650   9.654  -3.787
   45   HG12  ILE   6          HG12      ILE   6  58.621   7.878  -1.498
   46   HG13  ILE   6          HG11      ILE   6  58.161   7.342  -3.133
   47   HG21  ILE   6          HG21      ILE   6  59.217  10.993  -2.611
   48   HG22  ILE   6          HG22      ILE   6  58.803  10.271  -1.037
   49   HG23  ILE   6          HG23      ILE   6  57.672  11.392  -1.826
   50   HD11  ILE   6           HD1      ILE   6  60.548   7.481  -3.159
   51   HD12  ILE   6           HD2      ILE   6  60.543   9.050  -2.320
   52   HD13  ILE   6           HD3      ILE   6  59.982   8.939  -4.007
   53    H    LYS   7           HN       LYS   7  56.787  11.371  -3.386
   54    HA   LYS   7           HA       LYS   7  55.396  13.113  -4.074
   55    HB2  LYS   7           HB2      LYS   7  54.548  11.227  -5.681
   56    HB3  LYS   7           HB1      LYS   7  53.188  11.055  -4.545
   57    HG2  LYS   7           HG2      LYS   7  52.804  13.569  -4.811
   58    HG3  LYS   7           HG1      LYS   7  53.976  13.521  -6.151
   59    HD2  LYS   7           HD2      LYS   7  51.388  11.914  -5.966
   60    HD3  LYS   7           HD1      LYS   7  51.680  13.315  -7.022
   61    HE2  LYS   7           HE2      LYS   7  53.699  11.918  -7.943
   62    HE3  LYS   7           HE1      LYS   7  52.873  10.530  -7.191
   63    HZ1  LYS   7           HZ1      LYS   7  52.347  11.307  -9.640
   64    HZ2  LYS   7           HZ2      LYS   7  51.269  12.346  -8.837
   65    HZ3  LYS   7           HZ3      LYS   7  51.143  10.665  -8.633
   66    H    GLY   8           HN       GLY   8  55.745  11.854  -1.704
   67    HA2  GLY   8           HA1      GLY   8  55.069  11.409   0.364
   68    HA3  GLY   8           HA2      GLY   8  54.613  13.158   0.336
   69    H    ALA   9           HN       ALA   9  53.452   9.912  -0.535
   70    HA   ALA   9           HA       ALA   9  51.429   8.890  -0.137
   71    HB1  ALA   9           HB1      ALA   9  49.973   9.643   1.536
   72    HB2  ALA   9           HB2      ALA   9  50.296  11.359   1.200
   73    HB3  ALA   9           HB3      ALA   9  51.520  10.367   2.025
   74    H    ILE  10           HN       ILE  10  51.541   9.270  -2.508
   75    HA   ILE  10           HA       ILE  10  50.703  10.172  -4.508
   76    HB   ILE  10           HB       ILE  10  48.065   9.781  -4.490
   77   HG12  ILE  10          HG12      ILE  10  48.949   8.407  -1.903
   78   HG13  ILE  10          HG11      ILE  10  47.958   9.877  -1.964
   79   HG21  ILE  10          HG21      ILE  10  49.964   7.472  -3.872
   80   HG22  ILE  10          HG22      ILE  10  49.816   8.247  -5.467
   81   HG23  ILE  10          HG23      ILE  10  48.431   7.383  -4.767
   82   HD11  ILE  10           HD1      ILE  10  46.386   8.432  -3.532
   83   HD12  ILE  10           HD2      ILE  10  46.323   8.196  -1.770
   84   HD13  ILE  10           HD3      ILE  10  47.230   7.053  -2.785
   85    H    HIS  11           HN       HIS  11  47.661  11.097  -3.111
   86    HA   HIS  11           HA       HIS  11  47.375  13.522  -4.313
   87    HB2  HIS  11           HB2      HIS  11  45.911  14.208  -2.451
   88    HB3  HIS  11           HB1      HIS  11  45.623  12.529  -2.962
   89    HD1  HIS  11           HD1      HIS  11  47.676  14.449  -0.334
   90    HD2  HIS  11           HD2      HIS  11  45.882  10.688  -0.898
   91    HE1  HIS  11           HE1      HIS  11  47.897  13.162   1.862
   92    H    GLY  12           HN       GLY  12  49.715  12.853  -1.841
   93    HA2  GLY  12           HA1      GLY  12  50.053  15.358  -0.622
   94    HA3  GLY  12           HA2      GLY  12  51.384  14.253  -1.023
   95    H    GLY  13           HN       GLY  13  50.246  14.553  -3.916
   96    HA2  GLY  13           HA1      GLY  13  51.159  17.292  -4.577
   97    HA3  GLY  13           HA2      GLY  13  52.139  15.947  -5.201
   98    H    ARG  14           HN       ARG  14  50.281  14.045  -5.873
   99    HA   ARG  14           HA       ARG  14  49.486  14.672  -8.429
  100    HB2  ARG  14           HB2      ARG  14  49.305  12.424  -7.324
  101    HB3  ARG  14           HB1      ARG  14  47.819  12.981  -6.532
  102    HG2  ARG  14           HG2      ARG  14  47.209  11.731  -8.530
  103    HG3  ARG  14           HG1      ARG  14  46.823  13.442  -8.792
  104    HD2  ARG  14           HD2      ARG  14  48.550  13.729 -10.355
  105    HD3  ARG  14           HD1      ARG  14  49.535  12.412  -9.670
  106    HE   ARG  14           HE       ARG  14  47.099  11.332 -10.741
  107   HH11  ARG  14          HH11      ARG  14  47.359  12.688 -13.146
  108   HH12  ARG  14          HH12      ARG  14  48.649  11.921 -14.009
  109   HH21  ARG  14          HH21      ARG  14  49.955  10.361 -11.200
  110   HH22  ARG  14          HH22      ARG  14  50.118  10.603 -12.908
  111    H    PHE  15           HN       PHE  15  47.379  15.073  -5.524
  112    HA   PHE  15           HA       PHE  15  45.130  16.111  -6.833
  113    HB2  PHE  15           HB2      PHE  15  45.560  15.595  -4.315
  114    HB3  PHE  15           HB1      PHE  15  46.114  17.279  -4.208
  115    HD1  PHE  15           HD1      PHE  15  43.225  15.059  -4.438
  116    HD2  PHE  15           HD2      PHE  15  44.524  19.148  -4.907
  117    HE1  PHE  15           HE1      PHE  15  40.860  15.828  -4.300
  118    HE2  PHE  15           HE2      PHE  15  42.160  19.916  -4.762
  119    HZ   PHE  15           HZ       PHE  15  40.327  18.256  -4.461
  120    H    ILE  16           HN       ILE  16  47.909  17.993  -5.492
  121    HA   ILE  16           HA       ILE  16  47.039  20.304  -7.230
  122    HB   ILE  16           HB       ILE  16  48.441  21.706  -5.732
  123   HG12  ILE  16          HG12      ILE  16  48.704  19.102  -4.150
  124   HG13  ILE  16          HG11      ILE  16  50.026  19.982  -4.951
  125   HG21  ILE  16          HG21      ILE  16  46.488  20.108  -4.031
  126   HG22  ILE  16          HG22      ILE  16  45.925  21.167  -5.347
  127   HG23  ILE  16          HG23      ILE  16  46.834  21.851  -3.981
  128   HD11  ILE  16           HD1      ILE  16  50.161  20.639  -2.666
  129   HD12  ILE  16           HD2      ILE  16  48.397  20.827  -2.529
  130   HD13  ILE  16           HD3      ILE  16  49.348  21.998  -3.475
  131    H    HIS  17           HN       HIS  17  48.395  18.210  -8.474
  132    HA   HIS  17           HA       HIS  17  50.920  19.640  -9.219
  133    HB2  HIS  17           HB2      HIS  17  51.637  17.816  -7.713
  134    HB3  HIS  17           HB1      HIS  17  50.735  16.641  -8.701
  135    HD1  HIS  17           HD1      HIS  17  53.349  19.399  -9.357
  136    HD2  HIS  17           HD2      HIS  17  52.393  15.484 -10.567
  137    HE1  HIS  17           HE1      HIS  17  55.136  18.660 -11.027
  138    H    GLY  18           HN       GLY  18  48.282  17.388  -9.865
  139    HA2  GLY  18           HA1      GLY  18  48.780  16.604 -12.499
  140    HA3  GLY  18           HA2      GLY  18  47.170  17.035 -11.877
  141    H    MET  19           HN       MET  19  48.054  19.699 -11.191
  142    HA   MET  19           HA       MET  19  48.984  21.499 -12.771
  143    HB2  MET  19           HB2      MET  19  46.797  20.320 -14.401
  144    HB3  MET  19           HB1      MET  19  47.115  22.048 -14.538
  145    HG2  MET  19           HG2      MET  19  49.093  21.751 -15.684
  146    HG3  MET  19           HG1      MET  19  49.561  20.318 -14.744
  147    HE1  MET  19           HE1      MET  19  49.556  19.363 -18.557
  148    HE2  MET  19           HE2      MET  19  50.421  18.987 -17.048
  149    HE3  MET  19           HE3      MET  19  50.189  20.681 -17.542
  150    H    ILE  20           HN       ILE  20  47.257  20.587 -10.461
  151    HA   ILE  20           HA       ILE  20  45.783  21.620  -9.012
  152    HB   ILE  20           HB       ILE  20  46.736  24.138 -10.483
  153   HG12  ILE  20          HG12      ILE  20  47.788  24.599  -8.269
  154   HG13  ILE  20          HG11      ILE  20  47.154  23.052  -7.661
  155   HG21  ILE  20          HG21      ILE  20  44.529  24.734  -9.826
  156   HG22  ILE  20          HG22      ILE  20  45.553  25.320  -8.498
  157   HG23  ILE  20          HG23      ILE  20  44.636  23.805  -8.312
  158   HD11  ILE  20           HD1      ILE  20  49.613  23.120  -8.547
  159   HD12  ILE  20           HD2      ILE  20  48.874  23.147 -10.166
  160   HD13  ILE  20           HD3      ILE  20  48.571  21.778  -9.068
  161    H    GLN  21           HN       GLN  21  45.699  21.336 -12.313
  162    HA   GLN  21           HA       GLN  21  42.703  21.935 -12.410
  163    HB2  GLN  21           HB2      GLN  21  44.083  23.520 -13.761
  164    HB3  GLN  21           HB1      GLN  21  44.717  22.135 -14.682
  165    HG2  GLN  21           HG2      GLN  21  42.490  21.560 -15.471
  166    HG3  GLN  21           HG1      GLN  21  41.752  22.785 -14.413
  167   HE21  GLN  21          HE21      GLN  21  42.620  25.137 -14.812
  168   HE22  GLN  21          HE22      GLN  21  42.894  25.572 -16.503
  169    H    ASN  22           HN       ASN  22  45.341  19.635 -13.040
  170    HA   ASN  22           HA       ASN  22  43.391  17.841 -14.465
  171    HB2  ASN  22           HB2      ASN  22  45.916  18.384 -15.200
  172    HB3  ASN  22           HB1      ASN  22  46.298  17.119 -14.021
  173   HD21  ASN  22          HD21      ASN  22  46.808  15.349 -15.364
  174   HD22  ASN  22          HD22      ASN  22  45.693  14.700 -16.571
  175    H    HIS  23           HN       HIS  23  45.394  18.227 -11.579
  176    HA   HIS  23           HA       HIS  23  45.557  16.920  -9.659
  177    HB2  HIS  23           HB2      HIS  23  42.595  16.650 -10.293
  178    HB3  HIS  23           HB1      HIS  23  43.336  16.204  -8.737
  179    HD1  HIS  23           HD1      HIS  23  42.978  18.016  -7.065
  180    HD2  HIS  23           HD2      HIS  23  43.827  19.546 -10.884
  181    HE1  HIS  23           HE1      HIS  23  42.983  20.565  -6.884
  182    H    HIS  24           HN       HIS  24  42.886  14.885 -10.630
  183    HA   HIS  24           HA       HIS  24  42.800  12.586 -10.919
  184    HB2  HIS  24           HB2      HIS  24  43.772  13.388 -13.126
  185    HB3  HIS  24           HB1      HIS  24  45.378  12.962 -12.489
  186    HD1  HIS  24           HD1      HIS  24  42.217  10.950 -11.808
  187    HD2  HIS  24           HD2      HIS  24  45.697  10.688 -14.152
  188    HE1  HIS  24           HE1      HIS  24  42.328   8.575 -12.744
  Start of MODEL   30
    1    H1   PHE   1           HT1      PHE   1  49.431   3.424  -9.298
    2    H2   PHE   1           HT2      PHE   1  48.660   2.892  -7.880
    3    H3   PHE   1           HT3      PHE   1  47.936   2.631  -9.395
    4    HA   PHE   1           HA       PHE   1  49.119   0.712  -8.243
    5    HB2  PHE   1           HB2      PHE   1  49.936  -0.085 -10.501
    6    HB3  PHE   1           HB1      PHE   1  48.257   0.508 -10.485
    7    HD1  PHE   1           HD1      PHE   1  47.770   2.878 -11.254
    8    HD2  PHE   1           HD2      PHE   1  51.609   0.996 -11.840
    9    HE1  PHE   1           HE1      PHE   1  48.337   4.576 -12.987
   10    HE2  PHE   1           HE2      PHE   1  52.176   2.694 -13.574
   11    HZ   PHE   1           HZ       PHE   1  50.518   4.450 -14.186
   12    H    LEU   2           HN       LEU   2  50.647   3.170  -7.545
   13    HA   LEU   2           HA       LEU   2  53.345   2.827  -8.552
   14    HB2  LEU   2           HB2      LEU   2  52.351   4.950  -7.555
   15    HB3  LEU   2           HB1      LEU   2  52.470   4.165  -5.966
   16    HG   LEU   2           HG       LEU   2  55.003   3.766  -6.624
   17   HD11  LEU   2          HD11      LEU   2  54.190   6.026  -8.512
   18   HD12  LEU   2          HD12      LEU   2  54.936   4.472  -8.952
   19   HD13  LEU   2          HD13      LEU   2  55.868   5.679  -8.043
   20   HD21  LEU   2          HD21      LEU   2  53.923   6.545  -5.972
   21   HD22  LEU   2          HD22      LEU   2  55.595   5.999  -5.701
   22   HD23  LEU   2          HD23      LEU   2  54.256   5.249  -4.799
   23    H    GLY   3           HN       GLY   3  54.999   1.612  -7.826
   24    HA2  GLY   3           HA1      GLY   3  54.391  -0.519  -5.932
   25    HA3  GLY   3           HA2      GLY   3  55.938  -0.229  -6.753
   26    H    ALA   4           HN       ALA   4  54.290   2.268  -4.903
   27    HA   ALA   4           HA       ALA   4  55.735   1.758  -2.432
   28    HB1  ALA   4           HB1      ALA   4  56.673   4.119  -4.094
   29    HB2  ALA   4           HB2      ALA   4  57.564   2.587  -3.946
   30    HB3  ALA   4           HB3      ALA   4  57.290   3.599  -2.508
   31    H    LEU   5           HN       LEU   5  55.946   4.859  -2.216
   32    HA   LEU   5           HA       LEU   5  53.155   5.724  -2.330
   33    HB2  LEU   5           HB2      LEU   5  52.712   5.910   0.015
   34    HB3  LEU   5           HB1      LEU   5  53.231   4.237  -0.278
   35    HG   LEU   5           HG       LEU   5  54.908   6.504   0.894
   36   HD11  LEU   5          HD11      LEU   5  54.048   3.809   2.025
   37   HD12  LEU   5          HD12      LEU   5  53.258   5.361   2.392
   38   HD13  LEU   5          HD13      LEU   5  54.947   5.083   2.880
   39   HD21  LEU   5          HD21      LEU   5  56.459   5.273  -0.440
   40   HD22  LEU   5          HD22      LEU   5  55.663   3.719  -0.084
   41   HD23  LEU   5          HD23      LEU   5  56.605   4.548   1.177
   42    H    ILE   6           HN       ILE   6  55.992   6.457  -3.101
   43    HA   ILE   6           HA       ILE   6  56.577   8.883  -1.526
   44    HB   ILE   6           HB       ILE   6  58.164   7.318  -3.044
   45   HG12  ILE   6          HG12      ILE   6  58.467  10.357  -2.916
   46   HG13  ILE   6          HG11      ILE   6  58.939   9.196  -1.659
   47   HG21  ILE   6          HG21      ILE   6  57.846   9.478  -5.131
   48   HG22  ILE   6          HG22      ILE   6  56.683   8.133  -5.138
   49   HG23  ILE   6          HG23      ILE   6  58.422   7.807  -5.295
   50   HD11  ILE   6           HD1      ILE   6  60.939   9.699  -2.887
   51   HD12  ILE   6           HD2      ILE   6  60.113   9.496  -4.450
   52   HD13  ILE   6           HD3      ILE   6  60.425   8.081  -3.417
   53    H    LYS   7           HN       LYS   7  57.143  10.610  -3.923
   54    HA   LYS   7           HA       LYS   7  55.963  12.461  -4.698
   55    HB2  LYS   7           HB2      LYS   7  54.813  10.621  -6.171
   56    HB3  LYS   7           HB1      LYS   7  53.515  10.647  -4.958
   57    HG2  LYS   7           HG2      LYS   7  52.692  12.213  -6.495
   58    HG3  LYS   7           HG1      LYS   7  53.571  13.283  -5.381
   59    HD2  LYS   7           HD2      LYS   7  55.607  12.947  -6.966
   60    HD3  LYS   7           HD1      LYS   7  54.434  12.276  -8.121
   61    HE2  LYS   7           HE2      LYS   7  54.370  15.060  -6.877
   62    HE3  LYS   7           HE1      LYS   7  54.729  14.663  -8.573
   63    HZ1  LYS   7           HZ1      LYS   7  52.560  14.157  -9.008
   64    HZ2  LYS   7           HZ2      LYS   7  52.332  15.356  -7.827
   65    HZ3  LYS   7           HZ3      LYS   7  52.202  13.715  -7.410
   66    H    GLY   8           HN       GLY   8  56.256  11.301  -2.271
   67    HA2  GLY   8           HA1      GLY   8  55.610  11.057  -0.158
   68    HA3  GLY   8           HA2      GLY   8  55.362  12.843  -0.272
   69    H    ALA   9           HN       ALA   9  53.812   9.714  -0.910
   70    HA   ALA   9           HA       ALA   9  51.695   8.946  -0.443
   71    HB1  ALA   9           HB1      ALA   9  51.986  10.496   1.647
   72    HB2  ALA   9           HB2      ALA   9  50.350   9.960   1.194
   73    HB3  ALA   9           HB3      ALA   9  50.894  11.601   0.781
   74    H    ILE  10           HN       ILE  10  51.806   9.179  -2.835
   75    HA   ILE  10           HA       ILE  10  51.056  10.051  -4.865
   76    HB   ILE  10           HB       ILE  10  48.460  10.208  -4.918
   77   HG12  ILE  10          HG12      ILE  10  48.830   9.159  -2.070
   78   HG13  ILE  10          HG11      ILE  10  48.185  10.764  -2.493
   79   HG21  ILE  10          HG21      ILE  10  49.836   8.164  -5.472
   80   HG22  ILE  10          HG22      ILE  10  48.234   7.788  -4.806
   81   HG23  ILE  10          HG23      ILE  10  49.678   7.657  -3.775
   82   HD11  ILE  10           HD1      ILE  10  46.479   9.347  -3.969
   83   HD12  ILE  10           HD2      ILE  10  46.209   9.526  -2.221
   84   HD13  ILE  10           HD3      ILE  10  46.932   8.033  -2.859
   85    H    HIS  11           HN       HIS  11  48.277  11.777  -4.121
   86    HA   HIS  11           HA       HIS  11  49.668  14.306  -4.771
   87    HB2  HIS  11           HB2      HIS  11  47.447  13.633  -5.772
   88    HB3  HIS  11           HB1      HIS  11  46.727  13.831  -4.159
   89    HD1  HIS  11           HD1      HIS  11  45.400  15.722  -5.830
   90    HD2  HIS  11           HD2      HIS  11  49.232  16.595  -4.342
   91    HE1  HIS  11           HE1      HIS  11  45.737  18.246  -6.028
   92    H    GLY  12           HN       GLY  12  50.399  13.107  -2.274
   93    HA2  GLY  12           HA1      GLY  12  50.769  13.810  -0.098
   94    HA3  GLY  12           HA2      GLY  12  50.084  15.387  -0.550
   95    H    GLY  13           HN       GLY  13  48.567  12.163  -0.683
   96    HA2  GLY  13           HA1      GLY  13  46.623  11.387   0.308
   97    HA3  GLY  13           HA2      GLY  13  47.093  12.335   1.736
   98    H    ARG  14           HN       ARG  14  46.077  13.116  -1.620
   99    HA   ARG  14           HA       ARG  14  43.681  14.510  -0.527
  100    HB2  ARG  14           HB2      ARG  14  45.380  16.270  -0.482
  101    HB3  ARG  14           HB1      ARG  14  45.854  15.899  -2.153
  102    HG2  ARG  14           HG2      ARG  14  44.366  17.905  -1.988
  103    HG3  ARG  14           HG1      ARG  14  43.657  16.619  -2.983
  104    HD2  ARG  14           HD2      ARG  14  42.147  17.799  -1.194
  105    HD3  ARG  14           HD1      ARG  14  42.082  16.026  -1.309
  106    HE   ARG  14           HE       ARG  14  43.007  15.941   0.859
  107   HH11  ARG  14          HH11      ARG  14  42.512  19.148   0.103
  108   HH12  ARG  14          HH12      ARG  14  43.721  19.782   1.169
  109   HH21  ARG  14          HH21      ARG  14  45.063  16.676   1.926
  110   HH22  ARG  14          HH22      ARG  14  45.165  18.383   2.202
  111    H    PHE  15           HN       PHE  15  45.455  12.865  -2.992
  112    HA   PHE  15           HA       PHE  15  44.141  13.428  -5.368
  113    HB2  PHE  15           HB2      PHE  15  45.901  11.613  -4.865
  114    HB3  PHE  15           HB1      PHE  15  44.533  10.567  -4.419
  115    HD1  PHE  15           HD1      PHE  15  45.633  12.888  -7.184
  116    HD2  PHE  15           HD2      PHE  15  43.511   9.279  -6.125
  117    HE1  PHE  15           HE1      PHE  15  45.248  12.404  -9.598
  118    HE2  PHE  15           HE2      PHE  15  43.128   8.798  -8.538
  119    HZ   PHE  15           HZ       PHE  15  44.050  10.327 -10.276
  120    H    ILE  16           HN       ILE  16  42.787  12.134  -2.464
  121    HA   ILE  16           HA       ILE  16  40.091  12.097  -3.735
  122    HB   ILE  16           HB       ILE  16  40.973   9.805  -1.923
  123   HG12  ILE  16          HG12      ILE  16  40.910   9.942  -4.975
  124   HG13  ILE  16          HG11      ILE  16  42.349   9.704  -3.956
  125   HG21  ILE  16          HG21      ILE  16  38.683  10.020  -3.925
  126   HG22  ILE  16          HG22      ILE  16  38.518  10.457  -2.207
  127   HG23  ILE  16          HG23      ILE  16  38.914   8.784  -2.666
  128   HD11  ILE  16           HD1      ILE  16  40.051   7.790  -4.471
  129   HD12  ILE  16           HD2      ILE  16  41.069   7.618  -3.019
  130   HD13  ILE  16           HD3      ILE  16  41.798   7.506  -4.639
  131    H    HIS  17           HN       HIS  17  41.451  10.982  -0.579
  132    HA   HIS  17           HA       HIS  17  40.658  13.394   0.821
  133    HB2  HIS  17           HB2      HIS  17  38.811  10.977   0.882
  134    HB3  HIS  17           HB1      HIS  17  38.932  12.063   2.286
  135    HD1  HIS  17           HD1      HIS  17  38.977  14.817   1.180
  136    HD2  HIS  17           HD2      HIS  17  36.561  11.802  -0.480
  137    HE1  HIS  17           HE1      HIS  17  37.118  15.971  -0.140
  138    H    GLY  18           HN       GLY  18  43.050  12.564   0.904
  139    HA2  GLY  18           HA1      GLY  18  44.729  11.724   2.275
  140    HA3  GLY  18           HA2      GLY  18  43.526  11.634   3.563
  141    H    MET  19           HN       MET  19  43.963  10.069   0.424
  142    HA   MET  19           HA       MET  19  43.638   7.854  -0.014
  143    HB2  MET  19           HB2      MET  19  45.480   7.635   2.296
  144    HB3  MET  19           HB1      MET  19  45.163   6.305   1.156
  145    HG2  MET  19           HG2      MET  19  46.057   7.599  -0.698
  146    HG3  MET  19           HG1      MET  19  46.208   9.045   0.327
  147    HE1  MET  19           HE1      MET  19  47.242   5.214   1.522
  148    HE2  MET  19           HE2      MET  19  48.614   5.163   0.390
  149    HE3  MET  19           HE3      MET  19  46.970   5.466  -0.218
  150    H    ILE  20           HN       ILE  20  41.805   9.029   2.063
  151    HA   ILE  20           HA       ILE  20  40.121   8.175   3.423
  152    HB   ILE  20           HB       ILE  20  40.581   5.744   1.620
  153   HG12  ILE  20          HG12      ILE  20  38.314   6.321   0.835
  154   HG13  ILE  20          HG11      ILE  20  38.221   7.632   2.034
  155   HG21  ILE  20          HG21      ILE  20  38.432   4.848   2.718
  156   HG22  ILE  20          HG22      ILE  20  38.747   6.006   4.034
  157   HG23  ILE  20          HG23      ILE  20  39.920   4.714   3.683
  158   HD11  ILE  20           HD1      ILE  20  38.882   8.301  -0.362
  159   HD12  ILE  20           HD2      ILE  20  40.439   7.502  -0.043
  160   HD13  ILE  20           HD3      ILE  20  39.929   8.892   0.945
  161    H    GLN  21           HN       GLN  21  43.306   7.173   3.219
  162    HA   GLN  21           HA       GLN  21  43.176   5.579   5.808
  163    HB2  GLN  21           HB2      GLN  21  44.325   4.612   3.734
  164    HB3  GLN  21           HB1      GLN  21  45.537   5.901   3.913
  165    HG2  GLN  21           HG2      GLN  21  46.424   3.993   5.072
  166    HG3  GLN  21           HG1      GLN  21  45.841   5.107   6.332
  167   HE21  GLN  21          HE21      GLN  21  44.460   4.215   7.871
  168   HE22  GLN  21          HE22      GLN  21  43.550   2.718   7.638
  169    H    ASN  22           HN       ASN  22  44.790   8.317   4.114
  170    HA   ASN  22           HA       ASN  22  46.130   9.150   6.608
  171    HB2  ASN  22           HB2      ASN  22  45.937  10.203   3.755
  172    HB3  ASN  22           HB1      ASN  22  46.641  11.194   5.060
  173   HD21  ASN  22          HD21      ASN  22  48.731  11.004   3.802
  174   HD22  ASN  22          HD22      ASN  22  49.689   9.532   3.995
  175    H    HIS  23           HN       HIS  23  43.272   9.739   4.619
  176    HA   HIS  23           HA       HIS  23  41.428  11.121   5.008
  177    HB2  HIS  23           HB2      HIS  23  41.341   9.637   7.036
  178    HB3  HIS  23           HB1      HIS  23  42.226  10.893   7.934
  179    HD1  HIS  23           HD1      HIS  23  40.874  12.760   8.933
  180    HD2  HIS  23           HD2      HIS  23  38.771  10.699   5.928
  181    HE1  HIS  23           HE1      HIS  23  38.482  13.661   8.920
  182    H    HIS  24           HN       HIS  24  44.433  12.223   5.210
  183    HA   HIS  24           HA       HIS  24  43.651  14.992   5.163
  184    HB2  HIS  24           HB2      HIS  24  44.931  15.700   7.222
  185    HB3  HIS  24           HB1      HIS  24  43.418  14.825   7.561
  186    HD1  HIS  24           HD1      HIS  24  46.802  13.341   6.536
  187    HD2  HIS  24           HD2      HIS  24  44.197  13.406   9.837
  188    HE1  HIS  24           HE1      HIS  24  47.690  11.658   8.240
  Start of MODEL   31
    1    H1   PHE   1           HT1      PHE   1  54.480   6.314 -11.872
    2    H2   PHE   1           HT2      PHE   1  54.259   5.439 -13.312
    3    H3   PHE   1           HT3      PHE   1  55.762   6.151 -12.968
    4    HA   PHE   1           HA       PHE   1  54.585   3.697 -12.007
    5    HB2  PHE   1           HB2      PHE   1  57.469   4.634 -12.261
    6    HB3  PHE   1           HB1      PHE   1  56.892   2.959 -12.082
    7    HD1  PHE   1           HD1      PHE   1  57.007   5.909 -14.357
    8    HD2  PHE   1           HD2      PHE   1  55.975   1.736 -13.964
    9    HE1  PHE   1           HE1      PHE   1  56.760   5.738 -16.830
   10    HE2  PHE   1           HE2      PHE   1  55.728   1.566 -16.438
   11    HZ   PHE   1           HZ       PHE   1  56.087   3.575 -17.867
   12    H    LEU   2           HN       LEU   2  55.855   2.721 -10.084
   13    HA   LEU   2           HA       LEU   2  56.815   4.499  -8.037
   14    HB2  LEU   2           HB2      LEU   2  54.817   4.008  -6.434
   15    HB3  LEU   2           HB1      LEU   2  54.635   5.302  -7.638
   16    HG   LEU   2           HG       LEU   2  53.457   3.700  -9.155
   17   HD11  LEU   2          HD11      LEU   2  54.230   1.537  -8.581
   18   HD12  LEU   2          HD12      LEU   2  52.594   1.560  -7.891
   19   HD13  LEU   2          HD13      LEU   2  54.007   1.811  -6.837
   20   HD21  LEU   2          HD21      LEU   2  52.198   5.158  -7.601
   21   HD22  LEU   2          HD22      LEU   2  52.307   3.911  -6.337
   22   HD23  LEU   2          HD23      LEU   2  51.373   3.597  -7.818
   23    H    GLY   3           HN       GLY   3  56.714   3.265  -5.793
   24    HA2  GLY   3           HA1      GLY   3  56.430   0.498  -5.609
   25    HA3  GLY   3           HA2      GLY   3  58.046   0.739  -6.300
   26    H    ALA   4           HN       ALA   4  56.642   3.112  -4.141
   27    HA   ALA   4           HA       ALA   4  57.761   2.002  -1.707
   28    HB1  ALA   4           HB1      ALA   4  59.619   3.514  -1.391
   29    HB2  ALA   4           HB2      ALA   4  59.268   4.338  -2.929
   30    HB3  ALA   4           HB3      ALA   4  59.850   2.655  -2.932
   31    H    LEU   5           HN       LEU   5  55.580   3.735  -3.267
   32    HA   LEU   5           HA       LEU   5  54.066   5.388  -2.665
   33    HB2  LEU   5           HB2      LEU   5  54.930   4.911   0.208
   34    HB3  LEU   5           HB1      LEU   5  53.331   5.398  -0.401
   35    HG   LEU   5           HG       LEU   5  54.683   2.704  -0.891
   36   HD11  LEU   5          HD11      LEU   5  53.888   3.010   1.431
   37   HD12  LEU   5          HD12      LEU   5  52.867   1.839   0.561
   38   HD13  LEU   5          HD13      LEU   5  52.289   3.503   0.825
   39   HD21  LEU   5          HD21      LEU   5  52.296   2.158  -1.737
   40   HD22  LEU   5          HD22      LEU   5  53.308   3.166  -2.798
   41   HD23  LEU   5          HD23      LEU   5  52.039   3.919  -1.800
   42    H    ILE   6           HN       ILE   6  54.849   7.264  -3.491
   43    HA   ILE   6           HA       ILE   6  56.115   9.126  -1.518
   44    HB   ILE   6           HB       ILE   6  57.920   9.780  -3.108
   45   HG12  ILE   6          HG12      ILE   6  56.927   7.399  -4.749
   46   HG13  ILE   6          HG11      ILE   6  56.805   9.109  -5.221
   47   HG21  ILE   6          HG21      ILE   6  58.214   7.939  -1.353
   48   HG22  ILE   6          HG22      ILE   6  59.391   7.936  -2.686
   49   HG23  ILE   6          HG23      ILE   6  58.045   6.770  -2.684
   50   HD11  ILE   6           HD1      ILE   6  59.291   7.384  -4.975
   51   HD12  ILE   6           HD2      ILE   6  59.400   9.162  -4.924
   52   HD13  ILE   6           HD3      ILE   6  58.738   8.349  -6.362
   53    H    LYS   7           HN       LYS   7  56.858  10.923  -3.860
   54    HA   LYS   7           HA       LYS   7  55.741  12.820  -4.619
   55    HB2  LYS   7           HB2      LYS   7  53.582  10.738  -5.233
   56    HB3  LYS   7           HB1      LYS   7  53.393  12.462  -5.626
   57    HG2  LYS   7           HG2      LYS   7  55.500  12.347  -6.977
   58    HG3  LYS   7           HG1      LYS   7  55.577  10.598  -6.652
   59    HD2  LYS   7           HD2      LYS   7  53.232  10.422  -7.642
   60    HD3  LYS   7           HD1      LYS   7  53.416  12.111  -8.173
   61    HE2  LYS   7           HE2      LYS   7  54.052  10.554  -9.985
   62    HE3  LYS   7           HE1      LYS   7  55.464  11.486  -9.433
   63    HZ1  LYS   7           HZ1      LYS   7  54.891   8.912  -8.139
   64    HZ2  LYS   7           HZ2      LYS   7  56.382   9.675  -8.429
   65    HZ3  LYS   7           HZ3      LYS   7  55.564   8.891  -9.696
   66    H    GLY   8           HN       GLY   8  55.887  11.587  -2.215
   67    HA2  GLY   8           HA1      GLY   8  55.108  11.281  -0.151
   68    HA3  GLY   8           HA2      GLY   8  54.895  13.074  -0.221
   69    H    ALA   9           HN       ALA   9  53.357   9.958  -0.872
   70    HA   ALA   9           HA       ALA   9  51.186   9.238  -0.683
   71    HB1  ALA   9           HB1      ALA   9  51.395  10.520   1.547
   72    HB2  ALA   9           HB2      ALA   9  49.752  10.223   0.926
   73    HB3  ALA   9           HB3      ALA   9  50.499  11.827   0.741
   74    H    ILE  10           HN       ILE  10  51.379   9.654  -3.037
   75    HA   ILE  10           HA       ILE  10  50.730  10.699  -5.012
   76    HB   ILE  10           HB       ILE  10  48.042  11.234  -4.848
   77   HG12  ILE  10          HG12      ILE  10  48.639   9.352  -2.507
   78   HG13  ILE  10          HG11      ILE  10  47.946  10.986  -2.391
   79   HG21  ILE  10          HG21      ILE  10  49.235   9.404  -6.171
   80   HG22  ILE  10          HG22      ILE  10  47.633   8.961  -5.554
   81   HG23  ILE  10          HG23      ILE  10  49.095   8.374  -4.728
   82   HD11  ILE  10           HD1      ILE  10  46.107  10.039  -4.027
   83   HD12  ILE  10           HD2      ILE  10  46.030   9.628  -2.298
   84   HD13  ILE  10           HD3      ILE  10  46.682   8.452  -3.461
   85    H    HIS  11           HN       HIS  11  48.302  12.537  -3.204
   86    HA   HIS  11           HA       HIS  11  49.903  15.045  -3.706
   87    HB2  HIS  11           HB2      HIS  11  48.042  14.721  -5.391
   88    HB3  HIS  11           HB1      HIS  11  46.890  14.767  -4.034
   89    HD1  HIS  11           HD1      HIS  11  46.425  16.985  -5.925
   90    HD2  HIS  11           HD2      HIS  11  49.429  17.267  -2.996
   91    HE1  HIS  11           HE1      HIS  11  46.885  19.469  -5.541
   92    H    GLY  12           HN       GLY  12  49.924  13.569  -1.318
   93    HA2  GLY  12           HA1      GLY  12  49.749  14.061   0.948
   94    HA3  GLY  12           HA2      GLY  12  49.030  15.626   0.518
   95    H    GLY  13           HN       GLY  13  47.725  12.597  -0.672
   96    HA2  GLY  13           HA1      GLY  13  45.774  11.460  -0.135
   97    HA3  GLY  13           HA2      GLY  13  45.778  12.263   1.449
   98    H    ARG  14           HN       ARG  14  45.998  14.228  -1.403
   99    HA   ARG  14           HA       ARG  14  43.197  15.199  -0.895
  100    HB2  ARG  14           HB2      ARG  14  45.484  16.513  -2.418
  101    HB3  ARG  14           HB1      ARG  14  43.906  17.242  -2.036
  102    HG2  ARG  14           HG2      ARG  14  45.980  16.305   0.000
  103    HG3  ARG  14           HG1      ARG  14  45.639  17.995  -0.436
  104    HD2  ARG  14           HD2      ARG  14  43.137  17.338   0.229
  105    HD3  ARG  14           HD1      ARG  14  43.951  16.057   1.160
  106    HE   ARG  14           HE       ARG  14  45.224  18.587   1.674
  107   HH11  ARG  14          HH11      ARG  14  41.950  17.998   1.781
  108   HH12  ARG  14          HH12      ARG  14  41.771  18.229   3.489
  109   HH21  ARG  14          HH21      ARG  14  45.183  18.363   4.094
  110   HH22  ARG  14          HH22      ARG  14  43.603  18.434   4.798
  111    H    PHE  15           HN       PHE  15  45.390  13.934  -3.398
  112    HA   PHE  15           HA       PHE  15  43.690  14.436  -5.635
  113    HB2  PHE  15           HB2      PHE  15  45.993  13.591  -5.882
  114    HB3  PHE  15           HB1      PHE  15  45.521  12.052  -5.122
  115    HD1  PHE  15           HD1      PHE  15  44.589  10.302  -6.444
  116    HD2  PHE  15           HD2      PHE  15  44.719  14.323  -8.009
  117    HE1  PHE  15           HE1      PHE  15  43.813   9.465  -8.658
  118    HE2  PHE  15           HE2      PHE  15  43.943  13.486 -10.223
  119    HZ   PHE  15           HZ       PHE  15  43.391  11.073 -10.515
  120    H    ILE  16           HN       ILE  16  41.546  14.186  -4.970
  121    HA   ILE  16           HA       ILE  16  39.644  13.045  -4.258
  122    HB   ILE  16           HB       ILE  16  39.097  11.045  -5.730
  123   HG12  ILE  16          HG12      ILE  16  41.758  11.766  -7.055
  124   HG13  ILE  16          HG11      ILE  16  41.503  10.320  -6.055
  125   HG21  ILE  16          HG21      ILE  16  38.621  13.479  -6.300
  126   HG22  ILE  16          HG22      ILE  16  38.777  12.405  -7.704
  127   HG23  ILE  16          HG23      ILE  16  40.124  13.478  -7.253
  128   HD11  ILE  16           HD1      ILE  16  39.514   9.820  -7.692
  129   HD12  ILE  16           HD2      ILE  16  41.175   9.519  -8.252
  130   HD13  ILE  16           HD3      ILE  16  40.320  10.990  -8.766
  131    H    HIS  17           HN       HIS  17  41.001  12.702  -2.189
  132    HA   HIS  17           HA       HIS  17  40.592   9.856  -1.445
  133    HB2  HIS  17           HB2      HIS  17  43.294  11.245  -1.457
  134    HB3  HIS  17           HB1      HIS  17  42.937   9.975  -0.262
  135    HD1  HIS  17           HD1      HIS  17  44.339  10.389  -3.548
  136    HD2  HIS  17           HD2      HIS  17  41.885   7.503  -1.724
  137    HE1  HIS  17           HE1      HIS  17  44.457   8.276  -4.979
  138    H    GLY  18           HN       GLY  18  41.224  13.244  -0.718
  139    HA2  GLY  18           HA1      GLY  18  41.232  13.301   2.067
  140    HA3  GLY  18           HA2      GLY  18  40.386  14.502   1.058
  141    H    MET  19           HN       MET  19  38.650  12.652  -0.158
  142    HA   MET  19           HA       MET  19  37.001  11.029   1.080
  143    HB2  MET  19           HB2      MET  19  36.733  13.626   2.519
  144    HB3  MET  19           HB1      MET  19  35.242  12.733   2.190
  145    HG2  MET  19           HG2      MET  19  35.734  11.048   3.697
  146    HG3  MET  19           HG1      MET  19  37.479  11.099   3.378
  147    HE1  MET  19           HE1      MET  19  35.994  10.963   6.464
  148    HE2  MET  19           HE2      MET  19  37.483  11.688   7.115
  149    HE3  MET  19           HE3      MET  19  37.572  10.540   5.758
  150    H    ILE  20           HN       ILE  20  37.844  12.823  -1.226
  151    HA   ILE  20           HA       ILE  20  36.813  13.504  -3.188
  152    HB   ILE  20           HB       ILE  20  34.221  12.151  -2.286
  153   HG12  ILE  20          HG12      ILE  20  35.899  10.446  -1.967
  154   HG13  ILE  20          HG11      ILE  20  35.084  10.091  -3.501
  155   HG21  ILE  20          HG21      ILE  20  33.828  13.375  -4.256
  156   HG22  ILE  20          HG22      ILE  20  34.158  11.739  -4.865
  157   HG23  ILE  20          HG23      ILE  20  35.416  12.989  -4.950
  158   HD11  ILE  20           HD1      ILE  20  37.450   9.814  -3.873
  159   HD12  ILE  20           HD2      ILE  20  37.823  11.371  -3.102
  160   HD13  ILE  20           HD3      ILE  20  36.990  11.330  -4.673
  161    H    GLN  21           HN       GLN  21  35.932  13.979  -0.001
  162    HA   GLN  21           HA       GLN  21  34.159  16.371  -0.678
  163    HB2  GLN  21           HB2      GLN  21  33.240  14.552   0.841
  164    HB3  GLN  21           HB1      GLN  21  34.511  14.986   2.009
  165    HG2  GLN  21           HG2      GLN  21  33.677  17.303   2.094
  166    HG3  GLN  21           HG1      GLN  21  32.435  16.915   0.878
  167   HE21  GLN  21          HE21      GLN  21  30.492  16.993   2.056
  168   HE22  GLN  21          HE22      GLN  21  30.212  16.061   3.530
  169    H    ASN  22           HN       ASN  22  37.086  15.216   1.016
  170    HA   ASN  22           HA       ASN  22  37.706  18.055   1.799
  171    HB2  ASN  22           HB2      ASN  22  37.843  16.447   3.631
  172    HB3  ASN  22           HB1      ASN  22  38.885  15.380   2.665
  173   HD21  ASN  22          HD21      ASN  22  40.685  15.567   4.189
  174   HD22  ASN  22          HD22      ASN  22  41.602  17.071   4.314
  175    H    HIS  23           HN       HIS  23  38.257  15.607  -0.488
  176    HA   HIS  23           HA       HIS  23  40.906  15.722  -1.256
  177    HB2  HIS  23           HB2      HIS  23  40.114  15.398  -3.573
  178    HB3  HIS  23           HB1      HIS  23  39.149  14.439  -2.425
  179    HD1  HIS  23           HD1      HIS  23  37.641  17.236  -1.445
  180    HD2  HIS  23           HD2      HIS  23  37.776  15.528  -5.288
  181    HE1  HIS  23           HE1      HIS  23  35.630  18.127  -2.746
  182    H    HIS  24           HN       HIS  24  38.596  18.334  -1.303
  183    HA   HIS  24           HA       HIS  24  40.697  20.258  -1.910
  184    HB2  HIS  24           HB2      HIS  24  40.128  19.369  -4.201
  185    HB3  HIS  24           HB1      HIS  24  38.469  19.968  -3.963
  186    HD1  HIS  24           HD1      HIS  24  39.701  22.552  -2.265
  187    HD2  HIS  24           HD2      HIS  24  40.418  21.421  -6.252
  188    HE1  HIS  24           HE1      HIS  24  40.513  24.628  -3.510
  Start of MODEL   32
    1    H1   PHE   1           HT1      PHE   1  57.435   2.049 -12.432
    2    H2   PHE   1           HT2      PHE   1  56.985   2.424 -14.028
    3    H3   PHE   1           HT3      PHE   1  56.174   1.196 -13.178
    4    HA   PHE   1           HA       PHE   1  56.192   4.050 -12.433
    5    HB2  PHE   1           HB2      PHE   1  55.006   3.538 -14.595
    6    HB3  PHE   1           HB1      PHE   1  53.959   2.413 -13.695
    7    HD1  PHE   1           HD1      PHE   1  54.901   5.970 -14.182
    8    HD2  PHE   1           HD2      PHE   1  52.294   3.229 -12.104
    9    HE1  PHE   1           HE1      PHE   1  53.466   7.877 -13.469
   10    HE2  PHE   1           HE2      PHE   1  50.857   5.136 -11.391
   11    HZ   PHE   1           HZ       PHE   1  51.490   7.467 -12.005
   12    H    LEU   2           HN       LEU   2  56.216   3.976 -10.259
   13    HA   LEU   2           HA       LEU   2  55.048   1.797  -8.749
   14    HB2  LEU   2           HB2      LEU   2  55.624   4.587  -7.695
   15    HB3  LEU   2           HB1      LEU   2  55.659   3.042  -6.814
   16    HG   LEU   2           HG       LEU   2  57.573   3.918  -9.022
   17   HD11  LEU   2          HD11      LEU   2  57.856   4.936  -6.723
   18   HD12  LEU   2          HD12      LEU   2  59.240   3.951  -7.256
   19   HD13  LEU   2          HD13      LEU   2  58.078   3.291  -6.081
   20   HD21  LEU   2          HD21      LEU   2  58.765   1.735  -8.266
   21   HD22  LEU   2          HD22      LEU   2  57.324   1.557  -9.292
   22   HD23  LEU   2          HD23      LEU   2  57.206   1.283  -7.537
   23    H    GLY   3           HN       GLY   3  53.824   3.527  -6.700
   24    HA2  GLY   3           HA1      GLY   3  51.546   4.863  -7.873
   25    HA3  GLY   3           HA2      GLY   3  51.122   3.219  -7.353
   26    H    ALA   4           HN       ALA   4  53.609   4.102  -5.409
   27    HA   ALA   4           HA       ALA   4  52.215   5.866  -3.552
   28    HB1  ALA   4           HB1      ALA   4  52.598   2.980  -2.694
   29    HB2  ALA   4           HB2      ALA   4  51.037   3.666  -3.208
   30    HB3  ALA   4           HB3      ALA   4  51.855   4.300  -1.759
   31    H    LEU   5           HN       LEU   5  53.498   4.997  -1.191
   32    HA   LEU   5           HA       LEU   5  55.552   4.973  -0.125
   33    HB2  LEU   5           HB2      LEU   5  56.170   3.480  -2.260
   34    HB3  LEU   5           HB1      LEU   5  57.114   4.907  -2.715
   35    HG   LEU   5           HG       LEU   5  58.603   3.474  -1.521
   36   HD11  LEU   5          HD11      LEU   5  59.353   4.869   0.258
   37   HD12  LEU   5          HD12      LEU   5  57.719   5.481   0.588
   38   HD13  LEU   5          HD13      LEU   5  58.561   5.950  -0.907
   39   HD21  LEU   5          HD21      LEU   5  56.812   3.375   0.939
   40   HD22  LEU   5          HD22      LEU   5  58.159   2.314   0.485
   41   HD23  LEU   5          HD23      LEU   5  56.612   2.196  -0.376
   42    H    ILE   6           HN       ILE   6  55.653   6.800  -3.215
   43    HA   ILE   6           HA       ILE   6  56.386   9.260  -1.611
   44    HB   ILE   6           HB       ILE   6  58.403   8.038  -2.853
   45   HG12  ILE   6          HG12      ILE   6  59.142  10.502  -3.693
   46   HG13  ILE   6          HG11      ILE   6  57.675  10.982  -2.813
   47   HG21  ILE   6          HG21      ILE   6  58.591   8.130  -5.156
   48   HG22  ILE   6          HG22      ILE   6  57.644   9.623  -5.302
   49   HG23  ILE   6          HG23      ILE   6  56.817   8.067  -5.060
   50   HD11  ILE   6           HD1      ILE   6  58.602   9.569  -0.851
   51   HD12  ILE   6           HD2      ILE   6  59.416  11.112  -1.201
   52   HD13  ILE   6           HD3      ILE   6  60.144   9.581  -1.739
   53    H    LYS   7           HN       LYS   7  56.706  10.734  -4.231
   54    HA   LYS   7           HA       LYS   7  55.210  12.192  -5.257
   55    HB2  LYS   7           HB2      LYS   7  54.476   9.978  -6.454
   56    HB3  LYS   7           HB1      LYS   7  53.160   9.926  -5.263
   57    HG2  LYS   7           HG2      LYS   7  52.123  11.065  -7.039
   58    HG3  LYS   7           HG1      LYS   7  52.708  12.423  -6.051
   59    HD2  LYS   7           HD2      LYS   7  54.696  12.647  -7.494
   60    HD3  LYS   7           HD1      LYS   7  54.194  11.227  -8.440
   61    HE2  LYS   7           HE2      LYS   7  52.635  13.834  -8.163
   62    HE3  LYS   7           HE1      LYS   7  53.549  13.309  -9.597
   63    HZ1  LYS   7           HZ1      LYS   7  51.995  11.182  -9.173
   64    HZ2  LYS   7           HZ2      LYS   7  51.561  12.472 -10.189
   65    HZ3  LYS   7           HZ3      LYS   7  50.971  12.404  -8.597
   66    H    GLY   8           HN       GLY   8  55.657  11.459  -2.691
   67    HA2  GLY   8           HA1      GLY   8  55.018  11.395  -0.563
   68    HA3  GLY   8           HA2      GLY   8  54.430  13.062  -0.931
   69    H    ALA   9           HN       ALA   9  53.624   9.695  -0.492
   70    HA   ALA   9           HA       ALA   9  51.618   8.574  -0.264
   71    HB1  ALA   9           HB1      ALA   9  50.002   9.706   1.277
   72    HB2  ALA   9           HB2      ALA   9  50.993  11.177   1.167
   73    HB3  ALA   9           HB3      ALA   9  51.675   9.698   1.879
   74    H    ILE  10           HN       ILE  10  51.512   8.912  -2.681
   75    HA   ILE  10           HA       ILE  10  50.181   9.227  -4.530
   76    HB   ILE  10           HB       ILE  10  48.161   9.442  -2.295
   77   HG12  ILE  10          HG12      ILE  10  46.998   7.745  -3.701
   78   HG13  ILE  10          HG11      ILE  10  48.250   7.942  -4.950
   79   HG21  ILE  10          HG21      ILE  10  47.652  10.655  -5.033
   80   HG22  ILE  10          HG22      ILE  10  47.271  11.321  -3.422
   81   HG23  ILE  10          HG23      ILE  10  46.333   9.957  -4.068
   82   HD11  ILE  10           HD1      ILE  10  48.643   5.984  -3.404
   83   HD12  ILE  10           HD2      ILE  10  48.823   7.142  -2.064
   84   HD13  ILE  10           HD3      ILE  10  49.977   7.161  -3.419
   85    H    HIS  11           HN       HIS  11  48.947  11.835  -2.397
   86    HA   HIS  11           HA       HIS  11  50.204  13.846  -4.246
   87    HB2  HIS  11           HB2      HIS  11  47.852  13.573  -4.930
   88    HB3  HIS  11           HB1      HIS  11  47.322  13.808  -3.247
   89    HD1  HIS  11           HD1      HIS  11  46.601  16.134  -2.742
   90    HD2  HIS  11           HD2      HIS  11  49.571  16.030  -5.719
   91    HE1  HIS  11           HE1      HIS  11  47.011  18.541  -3.494
   92    H    GLY  12           HN       GLY  12  49.603  12.587  -1.195
   93    HA2  GLY  12           HA1      GLY  12  50.810  13.475   0.719
   94    HA3  GLY  12           HA2      GLY  12  50.632  15.116   0.082
   95    H    GLY  13           HN       GLY  13  47.786  14.789  -0.589
   96    HA2  GLY  13           HA1      GLY  13  46.345  14.014   1.777
   97    HA3  GLY  13           HA2      GLY  13  46.672  15.757   1.812
   98    H    ARG  14           HN       ARG  14  45.469  13.211  -0.408
   99    HA   ARG  14           HA       ARG  14  43.031  14.760  -0.874
  100    HB2  ARG  14           HB2      ARG  14  44.497  15.941  -2.441
  101    HB3  ARG  14           HB1      ARG  14  45.051  14.401  -3.128
  102    HG2  ARG  14           HG2      ARG  14  43.315  15.530  -4.539
  103    HG3  ARG  14           HG1      ARG  14  42.809  13.919  -3.990
  104    HD2  ARG  14           HD2      ARG  14  41.116  15.928  -3.793
  105    HD3  ARG  14           HD1      ARG  14  41.268  14.794  -2.429
  106    HE   ARG  14           HE       ARG  14  42.217  16.551  -1.155
  107   HH11  ARG  14          HH11      ARG  14  41.129  17.764  -4.075
  108   HH12  ARG  14          HH12      ARG  14  42.126  19.180  -4.068
  109   HH21  ARG  14          HH21      ARG  14  43.991  18.175  -1.324
  110   HH22  ARG  14          HH22      ARG  14  43.747  19.412  -2.510
  111    H    PHE  15           HN       PHE  15  45.155  12.031  -1.373
  112    HA   PHE  15           HA       PHE  15  43.727  10.271  -2.950
  113    HB2  PHE  15           HB2      PHE  15  45.843   9.711  -1.786
  114    HB3  PHE  15           HB1      PHE  15  44.964   9.616  -0.245
  115    HD1  PHE  15           HD1      PHE  15  44.685   8.279  -3.777
  116    HD2  PHE  15           HD2      PHE  15  44.253   7.471   0.445
  117    HE1  PHE  15           HE1      PHE  15  44.074   5.922  -4.287
  118    HE2  PHE  15           HE2      PHE  15  43.642   5.114  -0.072
  119    HZ   PHE  15           HZ       PHE  15  43.623   4.322  -2.433
  120    H    ILE  16           HN       ILE  16  42.898  11.390   0.290
  121    HA   ILE  16           HA       ILE  16  40.361   9.757   0.178
  122    HB   ILE  16           HB       ILE  16  41.758  10.908   2.635
  123   HG12  ILE  16          HG12      ILE  16  43.157   9.156   1.705
  124   HG13  ILE  16          HG11      ILE  16  42.331   8.506   3.134
  125   HG21  ILE  16          HG21      ILE  16  39.195   9.359   2.177
  126   HG22  ILE  16          HG22      ILE  16  39.529  10.697   3.294
  127   HG23  ILE  16          HG23      ILE  16  40.115   9.062   3.671
  128   HD11  ILE  16           HD1      ILE  16  41.813   7.915   0.204
  129   HD12  ILE  16           HD2      ILE  16  40.541   7.641   1.416
  130   HD13  ILE  16           HD3      ILE  16  42.088   6.779   1.542
  131    H    HIS  17           HN       HIS  17  41.304  12.571   2.201
  132    HA   HIS  17           HA       HIS  17  39.610  14.416   0.684
  133    HB2  HIS  17           HB2      HIS  17  38.548  13.135   3.227
  134    HB3  HIS  17           HB1      HIS  17  38.024  14.760   2.731
  135    HD1  HIS  17           HD1      HIS  17  37.703  14.497  -0.269
  136    HD2  HIS  17           HD2      HIS  17  36.411  11.559   2.446
  137    HE1  HIS  17           HE1      HIS  17  35.933  13.088  -1.456
  138    H    GLY  18           HN       GLY  18  42.294  14.090   1.884
  139    HA2  GLY  18           HA1      GLY  18  43.269  16.460   2.466
  140    HA3  GLY  18           HA2      GLY  18  42.328  16.237   3.964
  141    H    MET  19           HN       MET  19  42.529  13.711   4.547
  142    HA   MET  19           HA       MET  19  44.830  12.302   4.254
  143    HB2  MET  19           HB2      MET  19  45.478  14.654   5.809
  144    HB3  MET  19           HB1      MET  19  45.606  13.241   6.873
  145    HG2  MET  19           HG2      MET  19  47.053  12.144   5.108
  146    HG3  MET  19           HG1      MET  19  47.033  13.683   4.216
  147    HE1  MET  19           HE1      MET  19  49.445  12.458   4.669
  148    HE2  MET  19           HE2      MET  19  49.484  11.764   6.308
  149    HE3  MET  19           HE3      MET  19  50.556  13.122   5.889
  150    H    ILE  20           HN       ILE  20  43.189  10.825   4.275
  151    HA   ILE  20           HA       ILE  20  41.823   9.254   5.317
  152    HB   ILE  20           HB       ILE  20  43.007  10.021   8.024
  153   HG12  ILE  20          HG12      ILE  20  44.259   8.279   5.848
  154   HG13  ILE  20          HG11      ILE  20  44.933   9.775   6.527
  155   HG21  ILE  20          HG21      ILE  20  41.074   8.315   7.692
  156   HG22  ILE  20          HG22      ILE  20  42.480   7.769   8.630
  157   HG23  ILE  20          HG23      ILE  20  42.292   7.265   6.934
  158   HD11  ILE  20           HD1      ILE  20  46.091   8.038   7.663
  159   HD12  ILE  20           HD2      ILE  20  44.612   7.072   7.871
  160   HD13  ILE  20           HD3      ILE  20  44.844   8.562   8.819
  161    H    GLN  21           HN       GLN  21  41.634  12.202   5.093
  162    HA   GLN  21           HA       GLN  21  39.688  13.566   5.241
  163    HB2  GLN  21           HB2      GLN  21  38.436  11.518   6.358
  164    HB3  GLN  21           HB1      GLN  21  38.877  12.302   7.891
  165    HG2  GLN  21           HG2      GLN  21  37.836  14.439   6.994
  166    HG3  GLN  21           HG1      GLN  21  37.224  13.486   5.622
  167   HE21  GLN  21          HE21      GLN  21  37.505  12.547   9.113
  168   HE22  GLN  21          HE22      GLN  21  35.777  12.243   9.312
  169    H    ASN  22           HN       ASN  22  42.382  13.602   6.072
  170    HA   ASN  22           HA       ASN  22  43.860  14.700   7.457
  171    HB2  ASN  22           HB2      ASN  22  43.026  16.544   6.197
  172    HB3  ASN  22           HB1      ASN  22  41.599  16.707   7.260
  173   HD21  ASN  22          HD21      ASN  22  45.233  16.774   7.392
  174   HD22  ASN  22          HD22      ASN  22  45.300  17.972   8.688
  175    H    HIS  23           HN       HIS  23  42.728  12.758   8.770
  176    HA   HIS  23           HA       HIS  23  42.264  12.002  10.920
  177    HB2  HIS  23           HB2      HIS  23  44.355  13.277  11.406
  178    HB3  HIS  23           HB1      HIS  23  43.362  14.705  11.786
  179    HD1  HIS  23           HD1      HIS  23  43.748  11.042  12.888
  180    HD2  HIS  23           HD2      HIS  23  42.367  14.722  14.381
  181    HE1  HIS  23           HE1      HIS  23  43.215  10.708  15.364
  182    H    HIS  24           HN       HIS  24  40.883  12.248  12.820
  183    HA   HIS  24           HA       HIS  24  39.080  14.537  12.974
  184    HB2  HIS  24           HB2      HIS  24  38.148  13.358  10.987
  185    HB3  HIS  24           HB1      HIS  24  37.941  11.895  11.979
  186    HD1  HIS  24           HD1      HIS  24  35.898  11.744  13.465
  187    HD2  HIS  24           HD2      HIS  24  36.462  15.583  11.842
  188    HE1  HIS  24           HE1      HIS  24  33.848  13.139  14.079
  Start of MODEL   33
    1    H1   PHE   1           HT1      PHE   1  57.631   5.024   6.124
    2    H2   PHE   1           HT2      PHE   1  58.365   6.369   6.860
    3    H3   PHE   1           HT3      PHE   1  59.013   4.813   7.083
    4    HA   PHE   1           HA       PHE   1  59.081   6.546   4.723
    5    HB2  PHE   1           HB2      PHE   1  61.162   4.843   6.153
    6    HB3  PHE   1           HB1      PHE   1  61.464   5.927   4.774
    7    HD1  PHE   1           HD1      PHE   1  61.325   8.376   5.030
    8    HD2  PHE   1           HD2      PHE   1  60.701   5.733   8.385
    9    HE1  PHE   1           HE1      PHE   1  61.576  10.300   6.593
   10    HE2  PHE   1           HE2      PHE   1  60.951   7.658   9.948
   11    HZ   PHE   1           HZ       PHE   1  61.469   9.926   9.054
   12    H    LEU   2           HN       LEU   2  57.301   4.994   3.901
   13    HA   LEU   2           HA       LEU   2  58.088   2.295   3.207
   14    HB2  LEU   2           HB2      LEU   2  55.894   4.179   2.278
   15    HB3  LEU   2           HB1      LEU   2  56.115   2.580   1.533
   16    HG   LEU   2           HG       LEU   2  55.921   1.526   3.790
   17   HD11  LEU   2          HD11      LEU   2  56.634   3.212   5.310
   18   HD12  LEU   2          HD12      LEU   2  54.884   3.090   5.592
   19   HD13  LEU   2          HD13      LEU   2  55.537   4.430   4.617
   20   HD21  LEU   2          HD21      LEU   2  53.486   1.926   4.042
   21   HD22  LEU   2          HD22      LEU   2  53.936   1.785   2.325
   22   HD23  LEU   2          HD23      LEU   2  53.622   3.386   3.035
   23    H    GLY   3           HN       GLY   3  58.509   5.463   1.748
   24    HA2  GLY   3           HA1      GLY   3  59.716   6.118  -0.110
   25    HA3  GLY   3           HA2      GLY   3  60.567   4.564   0.000
   26    H    ALA   4           HN       ALA   4  57.275   3.981  -0.208
   27    HA   ALA   4           HA       ALA   4  57.494   2.816  -2.822
   28    HB1  ALA   4           HB1      ALA   4  54.979   2.663  -2.644
   29    HB2  ALA   4           HB2      ALA   4  55.101   3.561  -1.112
   30    HB3  ALA   4           HB3      ALA   4  55.870   1.964  -1.272
   31    H    LEU   5           HN       LEU   5  54.762   4.945  -2.310
   32    HA   LEU   5           HA       LEU   5  55.183   6.163  -4.933
   33    HB2  LEU   5           HB2      LEU   5  53.205   7.086  -2.821
   34    HB3  LEU   5           HB1      LEU   5  53.072   7.199  -4.593
   35    HG   LEU   5           HG       LEU   5  53.015   4.647  -2.922
   36   HD11  LEU   5          HD11      LEU   5  50.940   6.053  -2.913
   37   HD12  LEU   5          HD12      LEU   5  50.702   4.483  -3.718
   38   HD13  LEU   5          HD13      LEU   5  50.902   5.960  -4.690
   39   HD21  LEU   5          HD21      LEU   5  54.122   4.062  -4.961
   40   HD22  LEU   5          HD22      LEU   5  53.083   5.136  -5.929
   41   HD23  LEU   5          HD23      LEU   5  52.416   3.639  -5.235
   42    H    ILE   6           HN       ILE   6  55.215   7.336  -1.543
   43    HA   ILE   6           HA       ILE   6  55.847   9.463  -0.703
   44    HB   ILE   6           HB       ILE   6  57.952   8.110  -0.720
   45   HG12  ILE   6          HG12      ILE   6  58.895  10.846  -1.630
   46   HG13  ILE   6          HG11      ILE   6  57.776  10.773  -0.250
   47   HG21  ILE   6          HG21      ILE   6  58.251   7.538  -3.023
   48   HG22  ILE   6          HG22      ILE   6  59.628   8.577  -2.597
   49   HG23  ILE   6          HG23      ILE   6  58.269   9.243  -3.528
   50   HD11  ILE   6           HD1      ILE   6  60.127  10.725   0.509
   51   HD12  ILE   6           HD2      ILE   6  60.427   9.277  -0.480
   52   HD13  ILE   6           HD3      ILE   6  59.307   9.196   0.901
   53    H    LYS   7           HN       LYS   7  54.343   9.531  -3.186
   54    HA   LYS   7           HA       LYS   7  55.374  12.110  -4.315
   55    HB2  LYS   7           HB2      LYS   7  52.799  10.510  -4.788
   56    HB3  LYS   7           HB1      LYS   7  53.119  12.104  -5.511
   57    HG2  LYS   7           HG2      LYS   7  55.149  11.192  -6.615
   58    HG3  LYS   7           HG1      LYS   7  54.806   9.594  -5.909
   59    HD2  LYS   7           HD2      LYS   7  52.602   9.573  -7.075
   60    HD3  LYS   7           HD1      LYS   7  53.001  11.138  -7.824
   61    HE2  LYS   7           HE2      LYS   7  54.928  10.155  -8.961
   62    HE3  LYS   7           HE1      LYS   7  54.669   8.604  -8.127
   63    HZ1  LYS   7           HZ1      LYS   7  52.624   8.300  -9.258
   64    HZ2  LYS   7           HZ2      LYS   7  53.763   8.739 -10.439
   65    HZ3  LYS   7           HZ3      LYS   7  52.633   9.877  -9.879
   66    H    GLY   8           HN       GLY   8  55.105  11.290  -1.751
   67    HA2  GLY   8           HA1      GLY   8  54.580  11.696   0.275
   68    HA3  GLY   8           HA2      GLY   8  54.108  13.366  -0.243
   69    H    ALA   9           HN       ALA   9  53.039  10.003   0.011
   70    HA   ALA   9           HA       ALA   9  50.986   9.062   0.407
   71    HB1  ALA   9           HB1      ALA   9  50.141  11.779   1.460
   72    HB2  ALA   9           HB2      ALA   9  51.139  10.634   2.389
   73    HB3  ALA   9           HB3      ALA   9  49.486  10.185   1.902
   74    H    ILE  10           HN       ILE  10  51.290   9.590  -2.136
   75    HA   ILE  10           HA       ILE  10  50.046   9.729  -4.063
   76    HB   ILE  10           HB       ILE  10  47.981   9.494  -2.120
   77   HG12  ILE  10          HG12      ILE  10  48.284   8.166  -4.217
   78   HG13  ILE  10          HG11      ILE  10  46.608   8.692  -3.952
   79   HG21  ILE  10          HG21      ILE  10  47.258  11.780  -4.015
   80   HG22  ILE  10          HG22      ILE  10  47.463  11.906  -2.257
   81   HG23  ILE  10          HG23      ILE  10  46.151  10.924  -2.924
   82   HD11  ILE  10           HD1      ILE  10  48.439  10.433  -5.630
   83   HD12  ILE  10           HD2      ILE  10  46.671  10.249  -5.709
   84   HD13  ILE  10           HD3      ILE  10  47.727   8.970  -6.349
   85    H    HIS  11           HN       HIS  11  49.440  12.408  -1.792
   86    HA   HIS  11           HA       HIS  11  50.755  14.316  -3.545
   87    HB2  HIS  11           HB2      HIS  11  47.717  14.299  -3.346
   88    HB3  HIS  11           HB1      HIS  11  48.621  15.793  -3.685
   89    HD1  HIS  11           HD1      HIS  11  50.849  14.628  -5.525
   90    HD2  HIS  11           HD2      HIS  11  46.739  13.843  -5.933
   91    HE1  HIS  11           HE1      HIS  11  50.453  13.878  -7.935
   92    H    GLY  12           HN       GLY  12  49.262  13.203  -0.699
   93    HA2  GLY  12           HA1      GLY  12  50.338  14.147   1.381
   94    HA3  GLY  12           HA2      GLY  12  49.940  15.761   0.758
   95    H    GLY  13           HN       GLY  13  47.980  12.782   0.650
   96    HA2  GLY  13           HA1      GLY  13  45.905  12.321   1.564
   97    HA3  GLY  13           HA2      GLY  13  46.314  13.436   2.884
   98    H    ARG  14           HN       ARG  14  45.165  13.291  -0.491
   99    HA   ARG  14           HA       ARG  14  43.256  15.488   0.126
  100    HB2  ARG  14           HB2      ARG  14  45.167  16.742  -0.685
  101    HB3  ARG  14           HB1      ARG  14  45.384  15.628  -2.051
  102    HG2  ARG  14           HG2      ARG  14  44.249  17.809  -2.656
  103    HG3  ARG  14           HG1      ARG  14  43.307  16.363  -3.075
  104    HD2  ARG  14           HD2      ARG  14  41.785  16.691  -1.284
  105    HD3  ARG  14           HD1      ARG  14  42.897  17.781  -0.417
  106    HE   ARG  14           HE       ARG  14  41.028  18.562  -2.501
  107   HH11  ARG  14          HH11      ARG  14  43.119  19.597  -4.015
  108   HH12  ARG  14          HH12      ARG  14  43.618  21.056  -3.227
  109   HH21  ARG  14          HH21      ARG  14  42.097  20.260  -0.213
  110   HH22  ARG  14          HH22      ARG  14  43.040  21.432  -1.072
  111    H    PHE  15           HN       PHE  15  44.603  13.418  -2.505
  112    HA   PHE  15           HA       PHE  15  42.068  13.333  -3.899
  113    HB2  PHE  15           HB2      PHE  15  44.495  12.821  -4.778
  114    HB3  PHE  15           HB1      PHE  15  44.188  11.179  -4.181
  115    HD1  PHE  15           HD1      PHE  15  43.313  13.705  -6.710
  116    HD2  PHE  15           HD2      PHE  15  42.339   9.809  -5.130
  117    HE1  PHE  15           HE1      PHE  15  41.992  13.202  -8.762
  118    HE2  PHE  15           HE2      PHE  15  41.018   9.307  -7.182
  119    HZ   PHE  15           HZ       PHE  15  40.900  10.978  -9.026
  120    H    ILE  16           HN       ILE  16  43.785  10.480  -2.549
  121    HA   ILE  16           HA       ILE  16  41.170   9.240  -1.928
  122    HB   ILE  16           HB       ILE  16  42.634   7.369  -1.006
  123   HG12  ILE  16          HG12      ILE  16  44.874   9.062  -2.215
  124   HG13  ILE  16          HG11      ILE  16  44.598   8.849  -0.472
  125   HG21  ILE  16          HG21      ILE  16  43.419   8.143  -3.845
  126   HG22  ILE  16          HG22      ILE  16  41.789   7.562  -3.431
  127   HG23  ILE  16          HG23      ILE  16  43.199   6.513  -3.170
  128   HD11  ILE  16           HD1      ILE  16  44.741   6.293  -0.961
  129   HD12  ILE  16           HD2      ILE  16  46.253   7.230  -0.998
  130   HD13  ILE  16           HD3      ILE  16  45.454   6.776  -2.519
  131    H    HIS  17           HN       HIS  17  41.251  11.549  -0.645
  132    HA   HIS  17           HA       HIS  17  41.649  10.743   2.232
  133    HB2  HIS  17           HB2      HIS  17  43.534  12.237   1.423
  134    HB3  HIS  17           HB1      HIS  17  42.316  13.496   1.108
  135    HD1  HIS  17           HD1      HIS  17  41.911  15.054   3.007
  136    HD2  HIS  17           HD2      HIS  17  43.205  11.276   4.326
  137    HE1  HIS  17           HE1      HIS  17  42.154  15.177   5.547
  138    H    GLY  18           HN       GLY  18  40.531  13.646   0.389
  139    HA2  GLY  18           HA1      GLY  18  38.299  14.091   2.152
  140    HA3  GLY  18           HA2      GLY  18  38.474  14.739   0.498
  141    H    MET  19           HN       MET  19  38.453  12.931  -1.181
  142    HA   MET  19           HA       MET  19  37.226  10.556  -0.938
  143    HB2  MET  19           HB2      MET  19  35.171  12.525  -0.428
  144    HB3  MET  19           HB1      MET  19  34.794  11.712  -1.958
  145    HG2  MET  19           HG2      MET  19  35.108   9.498  -0.756
  146    HG3  MET  19           HG1      MET  19  35.246  10.415   0.762
  147    HE1  MET  19           HE1      MET  19  33.167  10.067  -2.491
  148    HE2  MET  19           HE2      MET  19  31.564   9.644  -1.844
  149    HE3  MET  19           HE3      MET  19  32.953   8.569  -1.554
  150    H    ILE  20           HN       ILE  20  38.791  10.240  -2.420
  151    HA   ILE  20           HA       ILE  20  39.571  10.054  -4.602
  152    HB   ILE  20           HB       ILE  20  36.809  10.813  -5.653
  153   HG12  ILE  20          HG12      ILE  20  37.688   8.148  -4.441
  154   HG13  ILE  20          HG11      ILE  20  36.381   9.200  -3.857
  155   HG21  ILE  20          HG21      ILE  20  38.876  10.345  -7.150
  156   HG22  ILE  20          HG22      ILE  20  37.398   9.428  -7.510
  157   HG23  ILE  20          HG23      ILE  20  38.731   8.654  -6.621
  158   HD11  ILE  20           HD1      ILE  20  35.334   8.904  -6.213
  159   HD12  ILE  20           HD2      ILE  20  35.264   7.515  -5.103
  160   HD13  ILE  20           HD3      ILE  20  36.476   7.551  -6.403
  161    H    GLN  21           HN       GLN  21  39.053  12.457  -2.936
  162    HA   GLN  21           HA       GLN  21  40.106  14.611  -3.195
  163    HB2  GLN  21           HB2      GLN  21  40.718  13.997  -5.688
  164    HB3  GLN  21           HB1      GLN  21  39.177  14.784  -6.095
  165    HG2  GLN  21           HG2      GLN  21  39.943  16.828  -4.859
  166    HG3  GLN  21           HG1      GLN  21  41.514  16.038  -4.592
  167   HE21  GLN  21          HE21      GLN  21  41.694  14.696  -7.184
  168   HE22  GLN  21          HE22      GLN  21  41.929  15.960  -8.395
  169    H    ASN  22           HN       ASN  22  37.604  13.459  -2.494
  170    HA   ASN  22           HA       ASN  22  35.376  13.975  -2.185
  171    HB2  ASN  22           HB2      ASN  22  34.995  16.274  -1.347
  172    HB3  ASN  22           HB1      ASN  22  36.432  15.486  -0.635
  173   HD21  ASN  22          HD21      ASN  22  38.320  16.712  -0.677
  174   HD22  ASN  22          HD22      ASN  22  38.615  18.052  -1.789
  175    H    HIS  23           HN       HIS  23  36.004  13.558  -4.749
  176    HA   HIS  23           HA       HIS  23  33.818  15.017  -6.075
  177    HB2  HIS  23           HB2      HIS  23  36.709  15.501  -6.892
  178    HB3  HIS  23           HB1      HIS  23  35.336  15.787  -7.985
  179    HD1  HIS  23           HD1      HIS  23  33.265  17.142  -6.340
  180    HD2  HIS  23           HD2      HIS  23  37.359  18.004  -5.917
  181    HE1  HIS  23           HE1      HIS  23  33.450  19.434  -5.227
  182    H    HIS  24           HN       HIS  24  33.188  12.733  -6.028
  183    HA   HIS  24           HA       HIS  24  34.728  10.787  -7.535
  184    HB2  HIS  24           HB2      HIS  24  32.649   9.415  -7.363
  185    HB3  HIS  24           HB1      HIS  24  33.175  10.072  -5.794
  186    HD1  HIS  24           HD1      HIS  24  31.741  11.934  -4.695
  187    HD2  HIS  24           HD2      HIS  24  30.227  10.534  -8.361
  188    HE1  HIS  24           HE1      HIS  24  29.372  12.859  -4.945
  Start of MODEL   34
    1    H1   PHE   1           HT1      PHE   1  61.880   1.632   5.836
    2    H2   PHE   1           HT2      PHE   1  62.049   3.115   5.023
    3    H3   PHE   1           HT3      PHE   1  61.557   1.727   4.175
    4    HA   PHE   1           HA       PHE   1  59.521   1.631   5.360
    5    HB2  PHE   1           HB2      PHE   1  60.519   2.575   7.483
    6    HB3  PHE   1           HB1      PHE   1  60.439   4.187   6.733
    7    HD1  PHE   1           HD1      PHE   1  58.367   1.218   7.714
    8    HD2  PHE   1           HD2      PHE   1  58.380   5.407   6.670
    9    HE1  PHE   1           HE1      PHE   1  55.967   1.387   8.362
   10    HE2  PHE   1           HE2      PHE   1  55.979   5.575   7.318
   11    HZ   PHE   1           HZ       PHE   1  54.773   3.565   8.160
   12    H    LEU   2           HN       LEU   2  59.174   1.933   3.079
   13    HA   LEU   2           HA       LEU   2  59.244   4.565   1.887
   14    HB2  LEU   2           HB2      LEU   2  57.935   1.932   1.139
   15    HB3  LEU   2           HB1      LEU   2  57.696   3.388   0.156
   16    HG   LEU   2           HG       LEU   2  59.581   1.805  -0.572
   17   HD11  LEU   2          HD11      LEU   2  60.649   4.583   0.055
   18   HD12  LEU   2          HD12      LEU   2  59.363   4.328  -1.145
   19   HD13  LEU   2          HD13      LEU   2  60.950   3.565  -1.367
   20   HD21  LEU   2          HD21      LEU   2  61.076   3.052   1.774
   21   HD22  LEU   2          HD22      LEU   2  61.667   1.821   0.635
   22   HD23  LEU   2          HD23      LEU   2  60.390   1.411   1.802
   23    H    GLY   3           HN       GLY   3  56.446   2.475   2.752
   24    HA2  GLY   3           HA1      GLY   3  54.452   3.110   3.800
   25    HA3  GLY   3           HA2      GLY   3  55.024   4.786   3.885
   26    H    ALA   4           HN       ALA   4  55.662   4.994   1.047
   27    HA   ALA   4           HA       ALA   4  53.253   4.393  -0.464
   28    HB1  ALA   4           HB1      ALA   4  52.398   6.643  -0.722
   29    HB2  ALA   4           HB2      ALA   4  53.689   7.295   0.315
   30    HB3  ALA   4           HB3      ALA   4  52.437   6.238   1.010
   31    H    LEU   5           HN       LEU   5  53.270   5.583  -2.615
   32    HA   LEU   5           HA       LEU   5  55.988   5.380  -3.699
   33    HB2  LEU   5           HB2      LEU   5  53.539   6.395  -5.177
   34    HB3  LEU   5           HB1      LEU   5  54.958   5.544  -5.829
   35    HG   LEU   5           HG       LEU   5  52.830   4.370  -3.983
   36   HD11  LEU   5          HD11      LEU   5  53.579   3.775  -6.882
   37   HD12  LEU   5          HD12      LEU   5  52.141   4.680  -6.353
   38   HD13  LEU   5          HD13      LEU   5  52.311   2.957  -5.940
   39   HD21  LEU   5          HD21      LEU   5  55.453   3.268  -5.077
   40   HD22  LEU   5          HD22      LEU   5  54.129   2.204  -4.543
   41   HD23  LEU   5          HD23      LEU   5  54.898   3.316  -3.386
   42    H    ILE   6           HN       ILE   6  56.148   7.328  -1.839
   43    HA   ILE   6           HA       ILE   6  56.485   9.627  -1.458
   44    HB   ILE   6           HB       ILE   6  57.608   9.941  -4.272
   45   HG12  ILE   6          HG12      ILE   6  58.087   7.533  -3.746
   46   HG13  ILE   6          HG11      ILE   6  59.548   8.532  -3.853
   47   HG21  ILE   6          HG21      ILE   6  58.652  10.488  -1.454
   48   HG22  ILE   6          HG22      ILE   6  58.043  11.678  -2.624
   49   HG23  ILE   6          HG23      ILE   6  59.562  10.815  -2.945
   50   HD11  ILE   6           HD1      ILE   6  59.329   6.857  -1.853
   51   HD12  ILE   6           HD2      ILE   6  58.220   8.060  -1.162
   52   HD13  ILE   6           HD3      ILE   6  59.905   8.503  -1.517
   53    H    LYS   7           HN       LYS   7  56.728  11.588  -3.809
   54    HA   LYS   7           HA       LYS   7  55.246  13.290  -4.395
   55    HB2  LYS   7           HB2      LYS   7  53.170  11.067  -4.748
   56    HB3  LYS   7           HB1      LYS   7  53.115  12.697  -5.459
   57    HG2  LYS   7           HG2      LYS   7  55.170  12.197  -6.763
   58    HG3  LYS   7           HG1      LYS   7  55.221  10.572  -6.050
   59    HD2  LYS   7           HD2      LYS   7  54.154  10.189  -8.124
   60    HD3  LYS   7           HD1      LYS   7  52.787  10.309  -6.993
   61    HE2  LYS   7           HE2      LYS   7  52.345  12.602  -7.667
   62    HE3  LYS   7           HE1      LYS   7  53.844  12.665  -8.625
   63    HZ1  LYS   7           HZ1      LYS   7  52.661  10.531  -9.686
   64    HZ2  LYS   7           HZ2      LYS   7  52.441  12.109 -10.276
   65    HZ3  LYS   7           HZ3      LYS   7  51.285  11.418  -9.239
   66    H    GLY   8           HN       GLY   8  55.793  12.036  -2.061
   67    HA2  GLY   8           HA1      GLY   8  55.273  11.573   0.050
   68    HA3  GLY   8           HA2      GLY   8  54.762  13.305   0.060
   69    H    ALA   9           HN       ALA   9  53.733   9.970  -0.434
   70    HA   ALA   9           HA       ALA   9  51.741   8.896  -0.056
   71    HB1  ALA   9           HB1      ALA   9  50.795  11.354   1.449
   72    HB2  ALA   9           HB2      ALA   9  51.953  10.196   2.146
   73    HB3  ALA   9           HB3      ALA   9  50.320   9.658   1.688
   74    H    ILE  10           HN       ILE  10  51.607   9.323  -2.421
   75    HA   ILE  10           HA       ILE  10  50.314   9.804  -4.260
   76    HB   ILE  10           HB       ILE  10  48.298  10.153  -2.032
   77   HG12  ILE  10          HG12      ILE  10  48.141   8.667  -4.690
   78   HG13  ILE  10          HG11      ILE  10  48.884   7.982  -3.229
   79   HG21  ILE  10          HG21      ILE  10  47.592  12.068  -3.247
   80   HG22  ILE  10          HG22      ILE  10  46.547  10.760  -3.838
   81   HG23  ILE  10          HG23      ILE  10  47.928  11.302  -4.819
   82   HD11  ILE  10           HD1      ILE  10  46.502   8.700  -2.143
   83   HD12  ILE  10           HD2      ILE  10  46.724   7.144  -2.972
   84   HD13  ILE  10           HD3      ILE  10  45.972   8.504  -3.831
   85    H    HIS  11           HN       HIS  11  49.357  12.426  -1.988
   86    HA   HIS  11           HA       HIS  11  50.998  14.370  -3.452
   87    HB2  HIS  11           HB2      HIS  11  47.958  14.389  -3.649
   88    HB3  HIS  11           HB1      HIS  11  48.966  15.825  -3.956
   89    HD1  HIS  11           HD1      HIS  11  47.374  13.179  -5.741
   90    HD2  HIS  11           HD2      HIS  11  51.205  14.903  -5.947
   91    HE1  HIS  11           HE1      HIS  11  48.330  12.639  -8.048
   92    H    GLY  12           HN       GLY  12  49.817  13.063  -0.784
   93    HA2  GLY  12           HA1      GLY  12  50.629  14.318   1.282
   94    HA3  GLY  12           HA2      GLY  12  49.617  15.668   0.732
   95    H    GLY  13           HN       GLY  13  48.229  12.684  -0.064
   96    HA2  GLY  13           HA1      GLY  13  46.514  11.443   0.887
   97    HA3  GLY  13           HA2      GLY  13  46.980  12.081   2.477
   98    H    ARG  14           HN       ARG  14  45.892  13.726  -0.504
   99    HA   ARG  14           HA       ARG  14  43.378  14.536   0.907
  100    HB2  ARG  14           HB2      ARG  14  43.692  16.856   0.518
  101    HB3  ARG  14           HB1      ARG  14  45.243  16.296   1.167
  102    HG2  ARG  14           HG2      ARG  14  45.926  17.597  -0.670
  103    HG3  ARG  14           HG1      ARG  14  45.928  15.955  -1.346
  104    HD2  ARG  14           HD2      ARG  14  44.450  16.635  -2.957
  105    HD3  ARG  14           HD1      ARG  14  43.259  17.083  -1.718
  106    HE   ARG  14           HE       ARG  14  43.894  19.333  -2.022
  107   HH11  ARG  14          HH11      ARG  14  44.843  20.836  -3.470
  108   HH12  ARG  14          HH12      ARG  14  46.414  20.487  -4.111
  109   HH21  ARG  14          HH21      ARG  14  46.544  17.294  -2.764
  110   HH22  ARG  14          HH22      ARG  14  47.377  18.481  -3.711
  111    H    PHE  15           HN       PHE  15  45.316  14.271  -2.060
  112    HA   PHE  15           HA       PHE  15  43.164  14.895  -3.872
  113    HB2  PHE  15           HB2      PHE  15  45.653  14.784  -4.421
  114    HB3  PHE  15           HB1      PHE  15  45.498  13.012  -4.394
  115    HD1  PHE  15           HD1      PHE  15  44.947  11.919  -6.422
  116    HD2  PHE  15           HD2      PHE  15  43.800  16.045  -5.867
  117    HE1  PHE  15           HE1      PHE  15  44.065  11.988  -8.749
  118    HE2  PHE  15           HE2      PHE  15  42.918  16.111  -8.195
  119    HZ   PHE  15           HZ       PHE  15  43.020  14.073  -9.625
  120    H    ILE  16           HN       ILE  16  41.275  13.872  -3.430
  121    HA   ILE  16           HA       ILE  16  39.834  12.092  -2.959
  122    HB   ILE  16           HB       ILE  16  39.800  10.380  -4.812
  123   HG12  ILE  16          HG12      ILE  16  42.171  11.966  -5.912
  124   HG13  ILE  16          HG11      ILE  16  42.322  10.369  -5.149
  125   HG21  ILE  16          HG21      ILE  16  40.172  13.225  -5.836
  126   HG22  ILE  16          HG22      ILE  16  38.733  12.688  -4.938
  127   HG23  ILE  16          HG23      ILE  16  39.123  11.957  -6.510
  128   HD11  ILE  16           HD1      ILE  16  40.930  11.104  -7.744
  129   HD12  ILE  16           HD2      ILE  16  40.540   9.593  -6.888
  130   HD13  ILE  16           HD3      ILE  16  42.195   9.888  -7.464
  131    H    HIS  17           HN       HIS  17  41.696  11.884  -1.090
  132    HA   HIS  17           HA       HIS  17  42.107   8.917  -0.895
  133    HB2  HIS  17           HB2      HIS  17  44.245   9.951  -1.681
  134    HB3  HIS  17           HB1      HIS  17  44.251  10.970  -0.222
  135    HD1  HIS  17           HD1      HIS  17  44.826   7.458  -1.438
  136    HD2  HIS  17           HD2      HIS  17  44.740   9.538   2.219
  137    HE1  HIS  17           HE1      HIS  17  45.805   5.908   0.344
  138    H    GLY  18           HN       GLY  18  41.669  12.093   0.580
  139    HA2  GLY  18           HA1      GLY  18  41.991  11.520   3.308
  140    HA3  GLY  18           HA2      GLY  18  40.747  12.616   2.646
  141    H    MET  19           HN       MET  19  39.242  11.093   1.216
  142    HA   MET  19           HA       MET  19  38.304   8.696   2.320
  143    HB2  MET  19           HB2      MET  19  37.750  10.420   4.218
  144    HB3  MET  19           HB1      MET  19  36.473  10.938   3.100
  145    HG2  MET  19           HG2      MET  19  35.426   9.316   4.489
  146    HG3  MET  19           HG1      MET  19  35.810   8.423   3.000
  147    HE1  MET  19           HE1      MET  19  35.961   8.544   6.704
  148    HE2  MET  19           HE2      MET  19  37.386   9.570   6.407
  149    HE3  MET  19           HE3      MET  19  37.579   7.983   7.191
  150    H    ILE  20           HN       ILE  20  38.878  10.598   0.055
  151    HA   ILE  20           HA       ILE  20  37.959  10.950  -2.037
  152    HB   ILE  20           HB       ILE  20  35.682   9.023  -1.380
  153   HG12  ILE  20          HG12      ILE  20  37.545   7.692  -0.744
  154   HG13  ILE  20          HG11      ILE  20  37.242   7.231  -2.429
  155   HG21  ILE  20          HG21      ILE  20  35.401  10.170  -3.459
  156   HG22  ILE  20          HG22      ILE  20  35.952   8.531  -3.863
  157   HG23  ILE  20          HG23      ILE  20  37.088   9.895  -3.937
  158   HD11  ILE  20           HD1      ILE  20  39.589   7.523  -2.352
  159   HD12  ILE  20           HD2      ILE  20  39.479   8.950  -1.300
  160   HD13  ILE  20           HD3      ILE  20  39.023   9.070  -3.009
  161    H    GLN  21           HN       GLN  21  36.728  11.316   1.019
  162    HA   GLN  21           HA       GLN  21  34.754  13.419   0.040
  163    HB2  GLN  21           HB2      GLN  21  33.374  11.537   0.631
  164    HB3  GLN  21           HB1      GLN  21  34.281  11.264   2.134
  165    HG2  GLN  21           HG2      GLN  21  32.033  12.424   2.423
  166    HG3  GLN  21           HG1      GLN  21  33.414  13.291   3.124
  167   HE21  GLN  21          HE21      GLN  21  32.341  13.080  -0.337
  168   HE22  GLN  21          HE22      GLN  21  32.113  14.823  -0.516
  169    H    ASN  22           HN       ASN  22  37.430  12.550   2.084
  170    HA   ASN  22           HA       ASN  22  36.857  14.903   3.888
  171    HB2  ASN  22           HB2      ASN  22  37.349  12.712   4.974
  172    HB3  ASN  22           HB1      ASN  22  38.931  12.697   4.164
  173   HD21  ASN  22          HD21      ASN  22  36.927  14.985   6.168
  174   HD22  ASN  22          HD22      ASN  22  38.304  15.572   7.106
  175    H    HIS  23           HN       HIS  23  39.109  13.503   1.543
  176    HA   HIS  23           HA       HIS  23  41.046  14.380   0.609
  177    HB2  HIS  23           HB2      HIS  23  39.286  16.857   0.698
  178    HB3  HIS  23           HB1      HIS  23  40.753  16.687  -0.294
  179    HD1  HIS  23           HD1      HIS  23  38.801  17.097  -2.244
  180    HD2  HIS  23           HD2      HIS  23  38.869  13.370  -0.295
  181    HE1  HIS  23           HE1      HIS  23  37.510  15.448  -3.708
  182    H    HIS  24           HN       HIS  24  41.507  14.126   3.276
  183    HA   HIS  24           HA       HIS  24  42.150  16.415   4.766
  184    HB2  HIS  24           HB2      HIS  24  42.287  13.998   5.516
  185    HB3  HIS  24           HB1      HIS  24  43.838  13.885   4.650
  186    HD1  HIS  24           HD1      HIS  24  45.885  15.138   5.622
  187    HD2  HIS  24           HD2      HIS  24  42.350  15.728   7.820
  188    HE1  HIS  24           HE1      HIS  24  46.540  16.215   7.845
  Start of MODEL   35
    1    H1   PHE   1           HT1      PHE   1  60.086   5.663   7.744
    2    H2   PHE   1           HT2      PHE   1  59.195   7.072   8.076
    3    H3   PHE   1           HT3      PHE   1  60.835   6.973   8.516
    4    HA   PHE   1           HA       PHE   1  60.155   8.274   6.438
    5    HB2  PHE   1           HB2      PHE   1  62.307   7.622   5.379
    6    HB3  PHE   1           HB1      PHE   1  62.471   7.880   7.132
    7    HD1  PHE   1           HD1      PHE   1  62.479   5.883   8.691
    8    HD2  PHE   1           HD2      PHE   1  62.736   5.466   4.400
    9    HE1  PHE   1           HE1      PHE   1  63.330   3.557   8.966
   10    HE2  PHE   1           HE2      PHE   1  63.587   3.142   4.678
   11    HZ   PHE   1           HZ       PHE   1  63.894   2.191   6.960
   12    H    LEU   2           HN       LEU   2  59.213   8.137   4.499
   13    HA   LEU   2           HA       LEU   2  57.909   5.717   3.681
   14    HB2  LEU   2           HB2      LEU   2  58.601   8.043   1.852
   15    HB3  LEU   2           HB1      LEU   2  57.212   6.935   1.750
   16    HG   LEU   2           HG       LEU   2  57.729   9.008   3.927
   17   HD11  LEU   2          HD11      LEU   2  55.644  10.019   3.028
   18   HD12  LEU   2          HD12      LEU   2  55.585   8.759   1.771
   19   HD13  LEU   2          HD13      LEU   2  56.919   9.937   1.790
   20   HD21  LEU   2          HD21      LEU   2  55.332   8.266   4.606
   21   HD22  LEU   2          HD22      LEU   2  56.669   7.179   5.039
   22   HD23  LEU   2          HD23      LEU   2  55.641   6.809   3.632
   23    H    GLY   3           HN       GLY   3  58.262   5.288   1.063
   24    HA2  GLY   3           HA1      GLY   3  60.884   5.172   0.049
   25    HA3  GLY   3           HA2      GLY   3  60.661   3.702   1.016
   26    H    ALA   4           HN       ALA   4  57.866   5.122  -0.473
   27    HA   ALA   4           HA       ALA   4  58.064   3.674  -2.984
   28    HB1  ALA   4           HB1      ALA   4  56.244   2.541  -0.831
   29    HB2  ALA   4           HB2      ALA   4  57.696   1.755  -1.498
   30    HB3  ALA   4           HB3      ALA   4  56.277   2.035  -2.536
   31    H    LEU   5           HN       LEU   5  55.464   4.447  -0.618
   32    HA   LEU   5           HA       LEU   5  53.840   5.661  -2.735
   33    HB2  LEU   5           HB2      LEU   5  53.353   5.898   0.252
   34    HB3  LEU   5           HB1      LEU   5  52.166   5.893  -1.074
   35    HG   LEU   5           HG       LEU   5  53.883   3.542  -0.162
   36   HD11  LEU   5          HD11      LEU   5  50.871   4.035  -0.101
   37   HD12  LEU   5          HD12      LEU   5  51.958   4.087   1.308
   38   HD13  LEU   5          HD13      LEU   5  51.696   2.554   0.441
   39   HD21  LEU   5          HD21      LEU   5  53.657   3.321  -2.538
   40   HD22  LEU   5          HD22      LEU   5  51.976   3.910  -2.512
   41   HD23  LEU   5          HD23      LEU   5  52.370   2.303  -1.853
   42    H    ILE   6           HN       ILE   6  56.229   6.980  -2.793
   43    HA   ILE   6           HA       ILE   6  56.096   9.415  -1.107
   44    HB   ILE   6           HB       ILE   6  58.005  10.185  -2.506
   45   HG12  ILE   6          HG12      ILE   6  57.486   7.636  -4.114
   46   HG13  ILE   6          HG11      ILE   6  57.236   9.297  -4.695
   47   HG21  ILE   6          HG21      ILE   6  59.593   8.541  -1.796
   48   HG22  ILE   6          HG22      ILE   6  58.396   7.227  -1.908
   49   HG23  ILE   6          HG23      ILE   6  58.258   8.453  -0.625
   50   HD11  ILE   6           HD1      ILE   6  59.368   8.716  -5.551
   51   HD12  ILE   6           HD2      ILE   6  59.848   7.892  -4.050
   52   HD13  ILE   6           HD3      ILE   6  59.748   9.670  -4.098
   53    H    LYS   7           HN       LYS   7  56.916  11.170  -3.454
   54    HA   LYS   7           HA       LYS   7  55.692  12.861  -4.492
   55    HB2  LYS   7           HB2      LYS   7  54.996  10.876  -6.044
   56    HB3  LYS   7           HB1      LYS   7  53.514  10.794  -5.064
   57    HG2  LYS   7           HG2      LYS   7  52.902  13.059  -5.666
   58    HG3  LYS   7           HG1      LYS   7  54.476  13.333  -6.452
   59    HD2  LYS   7           HD2      LYS   7  53.948  11.534  -8.095
   60    HD3  LYS   7           HD1      LYS   7  52.351  11.330  -7.336
   61    HE2  LYS   7           HE2      LYS   7  51.730  13.619  -7.899
   62    HE3  LYS   7           HE1      LYS   7  53.367  13.954  -8.510
   63    HZ1  LYS   7           HZ1      LYS   7  52.919  12.949 -10.437
   64    HZ2  LYS   7           HZ2      LYS   7  51.281  13.073 -10.002
   65    HZ3  LYS   7           HZ3      LYS   7  52.137  11.636  -9.702
   66    H    GLY   8           HN       GLY   8  55.704  11.797  -2.004
   67    HA2  GLY   8           HA1      GLY   8  54.784  11.560  -0.006
   68    HA3  GLY   8           HA2      GLY   8  54.359  13.298  -0.243
   69    H    ALA   9           HN       ALA   9  53.300   9.988  -0.210
   70    HA   ALA   9           HA       ALA   9  51.221   9.025  -0.058
   71    HB1  ALA   9           HB1      ALA   9  50.167  11.780   0.642
   72    HB2  ALA   9           HB2      ALA   9  51.058  10.756   1.794
   73    HB3  ALA   9           HB3      ALA   9  49.507  10.198   1.120
   74    H    ILE  10           HN       ILE  10  51.993   9.631  -2.606
   75    HA   ILE  10           HA       ILE  10  51.070   9.645  -4.712
   76    HB   ILE  10           HB       ILE  10  48.798   8.998  -3.096
   77   HG12  ILE  10          HG12      ILE  10  47.813   8.287  -5.397
   78   HG13  ILE  10          HG11      ILE  10  49.324   8.914  -6.094
   79   HG21  ILE  10          HG21      ILE  10  46.901  10.104  -4.136
   80   HG22  ILE  10          HG22      ILE  10  47.972  11.056  -5.188
   81   HG23  ILE  10          HG23      ILE  10  47.963  11.339  -3.432
   82   HD11  ILE  10           HD1      ILE  10  49.765   6.609  -5.727
   83   HD12  ILE  10           HD2      ILE  10  48.938   6.611  -4.151
   84   HD13  ILE  10           HD3      ILE  10  50.519   7.405  -4.326
   85    H    HIS  11           HN       HIS  11  49.852  12.151  -2.501
   86    HA   HIS  11           HA       HIS  11  50.952  14.269  -4.109
   87    HB2  HIS  11           HB2      HIS  11  49.030  13.694  -5.585
   88    HB3  HIS  11           HB1      HIS  11  47.922  13.958  -4.218
   89    HD1  HIS  11           HD1      HIS  11  46.748  16.107  -4.751
   90    HD2  HIS  11           HD2      HIS  11  50.880  16.335  -5.487
   91    HE1  HIS  11           HE1      HIS  11  47.285  18.536  -5.330
   92    H    GLY  12           HN       GLY  12  49.529  12.892  -1.423
   93    HA2  GLY  12           HA1      GLY  12  50.152  14.289   0.650
   94    HA3  GLY  12           HA2      GLY  12  49.102  15.537  -0.054
   95    H    GLY  13           HN       GLY  13  48.340  12.155  -0.491
   96    HA2  GLY  13           HA1      GLY  13  46.537  10.911   0.251
   97    HA3  GLY  13           HA2      GLY  13  46.786  11.686   1.828
   98    H    ARG  14           HN       ARG  14  45.324  12.168  -1.396
   99    HA   ARG  14           HA       ARG  14  42.856  13.110  -0.200
  100    HB2  ARG  14           HB2      ARG  14  44.451  15.112   0.043
  101    HB3  ARG  14           HB1      ARG  14  44.416  15.221  -1.728
  102    HG2  ARG  14           HG2      ARG  14  42.719  16.726  -0.936
  103    HG3  ARG  14           HG1      ARG  14  41.870  15.305  -1.577
  104    HD2  ARG  14           HD2      ARG  14  41.202  14.580   0.552
  105    HD3  ARG  14           HD1      ARG  14  42.572  15.365   1.372
  106    HE   ARG  14           HE       ARG  14  40.982  17.422   0.249
  107   HH11  ARG  14          HH11      ARG  14  38.835  17.867   1.103
  108   HH12  ARG  14          HH12      ARG  14  38.531  17.383   2.738
  109   HH21  ARG  14          HH21      ARG  14  41.436  15.505   3.000
  110   HH22  ARG  14          HH22      ARG  14  40.004  16.045   3.812
  111    H    PHE  15           HN       PHE  15  44.974  13.095  -3.070
  112    HA   PHE  15           HA       PHE  15  42.964  13.367  -5.060
  113    HB2  PHE  15           HB2      PHE  15  45.475  13.321  -5.433
  114    HB3  PHE  15           HB1      PHE  15  45.400  11.552  -5.256
  115    HD1  PHE  15           HD1      PHE  15  44.259  10.155  -6.929
  116    HD2  PHE  15           HD2      PHE  15  44.476  14.443  -7.371
  117    HE1  PHE  15           HE1      PHE  15  43.551   9.944  -9.308
  118    HE2  PHE  15           HE2      PHE  15  43.768  14.233  -9.751
  119    HZ   PHE  15           HZ       PHE  15  43.268  11.987 -10.707
  120    H    ILE  16           HN       ILE  16  44.100  10.615  -3.199
  121    HA   ILE  16           HA       ILE  16  41.577   9.226  -3.568
  122    HB   ILE  16           HB       ILE  16  42.532   8.437  -5.640
  123   HG12  ILE  16          HG12      ILE  16  42.618   6.044  -5.292
  124   HG13  ILE  16          HG11      ILE  16  43.086   6.238  -3.594
  125   HG21  ILE  16          HG21      ILE  16  44.738   7.610  -5.933
  126   HG22  ILE  16          HG22      ILE  16  45.016   7.452  -4.186
  127   HG23  ILE  16          HG23      ILE  16  44.935   9.062  -4.934
  128   HD11  ILE  16           HD1      ILE  16  40.487   7.404  -4.650
  129   HD12  ILE  16           HD2      ILE  16  40.938   7.032  -2.967
  130   HD13  ILE  16           HD3      ILE  16  40.593   5.711  -4.109
  131    H    HIS  17           HN       HIS  17  41.693   9.741  -1.372
  132    HA   HIS  17           HA       HIS  17  42.770   7.591   0.251
  133    HB2  HIS  17           HB2      HIS  17  44.863   8.889  -0.083
  134    HB3  HIS  17           HB1      HIS  17  44.050  10.341   0.547
  135    HD1  HIS  17           HD1      HIS  17  45.537  10.544   2.648
  136    HD2  HIS  17           HD2      HIS  17  43.668   6.797   2.290
  137    HE1  HIS  17           HE1      HIS  17  45.797   9.344   4.888
  138    H    GLY  18           HN       GLY  18  41.848  11.077   0.275
  139    HA2  GLY  18           HA1      GLY  18  40.483  10.929   2.812
  140    HA3  GLY  18           HA2      GLY  18  40.204  12.146   1.536
  141    H    MET  19           HN       MET  19  39.257  11.150  -0.482
  142    HA   MET  19           HA       MET  19  37.750   8.993  -0.775
  143    HB2  MET  19           HB2      MET  19  36.405  10.582   1.309
  144    HB3  MET  19           HB1      MET  19  35.336  10.228  -0.061
  145    HG2  MET  19           HG2      MET  19  35.513   7.889   0.253
  146    HG3  MET  19           HG1      MET  19  36.988   8.032   1.236
  147    HE1  MET  19           HE1      MET  19  34.078   6.597   3.527
  148    HE2  MET  19           HE2      MET  19  35.568   6.224   2.628
  149    HE3  MET  19           HE3      MET  19  34.044   6.496   1.750
  150    H    ILE  20           HN       ILE  20  38.672   9.659  -2.704
  151    HA   ILE  20           HA       ILE  20  38.472  10.592  -4.828
  152    HB   ILE  20           HB       ILE  20  35.689  11.645  -4.132
  153   HG12  ILE  20          HG12      ILE  20  35.462   9.407  -3.374
  154   HG13  ILE  20          HG11      ILE  20  34.847   9.366  -5.036
  155   HG21  ILE  20          HG21      ILE  20  36.452  12.343  -6.283
  156   HG22  ILE  20          HG22      ILE  20  35.323  11.009  -6.588
  157   HG23  ILE  20          HG23      ILE  20  37.074  10.733  -6.690
  158   HD11  ILE  20           HD1      ILE  20  37.454   8.278  -3.939
  159   HD12  ILE  20           HD2      ILE  20  37.321   8.692  -5.659
  160   HD13  ILE  20           HD3      ILE  20  36.245   7.471  -4.955
  161    H    GLN  21           HN       GLN  21  38.946  11.775  -2.109
  162    HA   GLN  21           HA       GLN  21  40.038  13.800  -1.499
  163    HB2  GLN  21           HB2      GLN  21  38.519  15.265  -3.713
  164    HB3  GLN  21           HB1      GLN  21  39.816  15.901  -2.696
  165    HG2  GLN  21           HG2      GLN  21  41.506  14.783  -3.848
  166    HG3  GLN  21           HG1      GLN  21  40.456  13.440  -4.335
  167   HE21  GLN  21          HE21      GLN  21  39.440  13.547  -6.381
  168   HE22  GLN  21          HE22      GLN  21  39.576  14.949  -7.448
  169    H    ASN  22           HN       ASN  22  37.793  12.378  -0.807
  170    HA   ASN  22           HA       ASN  22  35.777  12.501   0.286
  171    HB2  ASN  22           HB2      ASN  22  37.281  13.111   2.026
  172    HB3  ASN  22           HB1      ASN  22  37.290  14.822   1.499
  173   HD21  ASN  22          HD21      ASN  22  36.163  15.959   3.110
  174   HD22  ASN  22          HD22      ASN  22  34.576  15.483   3.722
  175    H    HIS  23           HN       HIS  23  35.173  13.095  -2.026
  176    HA   HIS  23           HA       HIS  23  33.683  14.283  -3.366
  177    HB2  HIS  23           HB2      HIS  23  32.618  15.466  -0.776
  178    HB3  HIS  23           HB1      HIS  23  31.742  15.222  -2.306
  179    HD1  HIS  23           HD1      HIS  23  33.585  12.289  -2.301
  180    HD2  HIS  23           HD2      HIS  23  30.502  13.613   0.232
  181    HE1  HIS  23           HE1      HIS  23  32.527  10.218  -1.245
  182    H    HIS  24           HN       HIS  24  32.688  16.621  -3.713
  183    HA   HIS  24           HA       HIS  24  33.261  18.772  -4.374
  184    HB2  HIS  24           HB2      HIS  24  34.548  18.750  -1.615
  185    HB3  HIS  24           HB1      HIS  24  34.242  20.208  -2.589
  186    HD1  HIS  24           HD1      HIS  24  31.558  20.337  -3.464
  187    HD2  HIS  24           HD2      HIS  24  32.409  18.126   0.011
  188    HE1  HIS  24           HE1      HIS  24  29.378  20.114  -2.149
  Start of MODEL   36
    1    H1   PHE   1           HT1      PHE   1  61.402   6.903 -10.151
    2    H2   PHE   1           HT2      PHE   1  60.619   6.407  -8.726
    3    H3   PHE   1           HT3      PHE   1  59.717   7.034 -10.023
    4    HA   PHE   1           HA       PHE   1  59.935   5.185 -11.295
    5    HB2  PHE   1           HB2      PHE   1  62.432   5.123 -11.017
    6    HB3  PHE   1           HB1      PHE   1  62.195   4.277  -9.469
    7    HD1  PHE   1           HD1      PHE   1  61.286   4.091 -13.119
    8    HD2  PHE   1           HD2      PHE   1  61.934   1.915  -9.445
    9    HE1  PHE   1           HE1      PHE   1  61.042   1.939 -14.349
   10    HE2  PHE   1           HE2      PHE   1  61.692  -0.236 -10.679
   11    HZ   PHE   1           HZ       PHE   1  61.226  -0.225 -13.126
   12    H    LEU   2           HN       LEU   2  58.717   5.947  -8.586
   13    HA   LEU   2           HA       LEU   2  57.289   3.451  -8.229
   14    HB2  LEU   2           HB2      LEU   2  59.620   3.263  -6.955
   15    HB3  LEU   2           HB1      LEU   2  58.809   4.258  -5.731
   16    HG   LEU   2           HG       LEU   2  57.756   1.606  -6.829
   17   HD11  LEU   2          HD11      LEU   2  58.379   0.694  -4.638
   18   HD12  LEU   2          HD12      LEU   2  58.977   2.287  -4.118
   19   HD13  LEU   2          HD13      LEU   2  59.813   1.404  -5.417
   20   HD21  LEU   2          HD21      LEU   2  56.241   1.856  -4.755
   21   HD22  LEU   2          HD22      LEU   2  55.882   2.930  -6.126
   22   HD23  LEU   2          HD23      LEU   2  56.761   3.558  -4.710
   23    H    GLY   3           HN       GLY   3  55.795   5.210  -8.856
   24    HA2  GLY   3           HA1      GLY   3  55.252   7.336  -6.953
   25    HA3  GLY   3           HA2      GLY   3  54.258   6.874  -8.348
   26    H    ALA   4           HN       ALA   4  54.915   6.370  -4.936
   27    HA   ALA   4           HA       ALA   4  52.148   5.584  -4.483
   28    HB1  ALA   4           HB1      ALA   4  54.341   3.501  -4.269
   29    HB2  ALA   4           HB2      ALA   4  52.846   3.421  -5.231
   30    HB3  ALA   4           HB3      ALA   4  52.767   3.351  -3.453
   31    H    LEU   5           HN       LEU   5  55.309   4.835  -2.932
   32    HA   LEU   5           HA       LEU   5  54.332   5.691  -0.335
   33    HB2  LEU   5           HB2      LEU   5  57.060   4.961  -1.447
   34    HB3  LEU   5           HB1      LEU   5  56.870   5.538   0.219
   35    HG   LEU   5           HG       LEU   5  56.876   2.993  -0.119
   36   HD11  LEU   5          HD11      LEU   5  55.863   4.290   1.891
   37   HD12  LEU   5          HD12      LEU   5  55.352   2.607   1.652
   38   HD13  LEU   5          HD13      LEU   5  54.281   3.934   1.162
   39   HD21  LEU   5          HD21      LEU   5  54.897   1.914  -0.972
   40   HD22  LEU   5          HD22      LEU   5  55.410   3.105  -2.189
   41   HD23  LEU   5          HD23      LEU   5  54.033   3.462  -1.119
   42    H    ILE   6           HN       ILE   6  56.237   7.156  -2.939
   43    HA   ILE   6           HA       ILE   6  56.469   9.708  -1.314
   44    HB   ILE   6           HB       ILE   6  58.087  10.406  -3.065
   45   HG12  ILE   6          HG12      ILE   6  57.463   7.683  -4.307
   46   HG13  ILE   6          HG11      ILE   6  57.081   9.270  -5.013
   47   HG21  ILE   6          HG21      ILE   6  59.875   8.936  -2.456
   48   HG22  ILE   6          HG22      ILE   6  58.769   7.556  -2.242
   49   HG23  ILE   6          HG23      ILE   6  58.745   8.908  -1.083
   50   HD11  ILE   6           HD1      ILE   6  59.086   8.630  -6.105
   51   HD12  ILE   6           HD2      ILE   6  59.800   7.982  -4.612
   52   HD13  ILE   6           HD3      ILE   6  59.640   9.743  -4.831
   53    H    LYS   7           HN       LYS   7  56.798  11.234  -3.905
   54    HA   LYS   7           HA       LYS   7  55.316  12.738  -4.895
   55    HB2  LYS   7           HB2      LYS   7  53.724  10.146  -5.171
   56    HB3  LYS   7           HB1      LYS   7  53.028  11.706  -5.670
   57    HG2  LYS   7           HG2      LYS   7  55.012  12.074  -7.156
   58    HG3  LYS   7           HG1      LYS   7  55.607  10.456  -6.715
   59    HD2  LYS   7           HD2      LYS   7  53.633   9.402  -7.668
   60    HD3  LYS   7           HD1      LYS   7  52.873  10.987  -7.954
   61    HE2  LYS   7           HE2      LYS   7  55.529  10.157  -9.193
   62    HE3  LYS   7           HE1      LYS   7  53.959   9.939 -10.003
   63    HZ1  LYS   7           HZ1      LYS   7  55.202  12.053 -10.524
   64    HZ2  LYS   7           HZ2      LYS   7  54.861  12.561  -8.939
   65    HZ3  LYS   7           HZ3      LYS   7  53.593  12.249 -10.025
   66    H    GLY   8           HN       GLY   8  55.721  11.922  -2.347
   67    HA2  GLY   8           HA1      GLY   8  55.059  11.801  -0.236
   68    HA3  GLY   8           HA2      GLY   8  54.462  13.473  -0.563
   69    H    ALA   9           HN       ALA   9  53.646  10.041  -0.511
   70    HA   ALA   9           HA       ALA   9  51.670   8.928  -0.143
   71    HB1  ALA   9           HB1      ALA   9  50.642  11.533   1.027
   72    HB2  ALA   9           HB2      ALA   9  51.727  10.427   1.901
   73    HB3  ALA   9           HB3      ALA   9  50.107   9.879   1.406
   74    H    ILE  10           HN       ILE  10  51.684   9.194  -2.599
   75    HA   ILE  10           HA       ILE  10  50.450   9.421  -4.514
   76    HB   ILE  10           HB       ILE  10  48.341   9.525  -2.384
   77   HG12  ILE  10          HG12      ILE  10  49.218   7.497  -3.748
   78   HG13  ILE  10          HG11      ILE  10  47.465   7.644  -3.504
   79   HG21  ILE  10          HG21      ILE  10  47.396  11.384  -3.507
   80   HG22  ILE  10          HG22      ILE  10  46.521   9.979  -4.147
   81   HG23  ILE  10          HG23      ILE  10  47.804  10.740  -5.115
   82   HD11  ILE  10           HD1      ILE  10  48.788   8.789  -5.993
   83   HD12  ILE  10           HD2      ILE  10  47.089   8.338  -5.743
   84   HD13  ILE  10           HD3      ILE  10  48.330   7.076  -5.901
   85    H    HIS  11           HN       HIS  11  49.081  12.045  -2.449
   86    HA   HIS  11           HA       HIS  11  50.426  14.055  -4.179
   87    HB2  HIS  11           HB2      HIS  11  48.246  13.593  -5.295
   88    HB3  HIS  11           HB1      HIS  11  47.405  13.992  -3.777
   89    HD1  HIS  11           HD1      HIS  11  47.269  16.467  -3.061
   90    HD2  HIS  11           HD2      HIS  11  49.358  15.842  -6.656
   91    HE1  HIS  11           HE1      HIS  11  47.653  18.757  -4.126
   92    H    GLY  12           HN       GLY  12  49.570  12.845  -1.248
   93    HA2  GLY  12           HA1      GLY  12  50.606  14.308   0.596
   94    HA3  GLY  12           HA2      GLY  12  49.454  15.553   0.074
   95    H    GLY  13           HN       GLY  13  48.277  12.350  -0.226
   96    HA2  GLY  13           HA1      GLY  13  46.669  11.188   0.964
   97    HA3  GLY  13           HA2      GLY  13  47.381  11.870   2.440
   98    H    ARG  14           HN       ARG  14  45.273  12.735  -0.322
   99    HA   ARG  14           HA       ARG  14  43.184  13.685   1.435
  100    HB2  ARG  14           HB2      ARG  14  44.813  15.551   1.707
  101    HB3  ARG  14           HB1      ARG  14  44.775  15.821  -0.048
  102    HG2  ARG  14           HG2      ARG  14  42.093  15.768   1.346
  103    HG3  ARG  14           HG1      ARG  14  43.138  17.153   1.717
  104    HD2  ARG  14           HD2      ARG  14  42.790  16.400  -1.190
  105    HD3  ARG  14           HD1      ARG  14  41.453  17.227  -0.359
  106    HE   ARG  14           HE       ARG  14  42.756  19.186  -0.397
  107   HH11  ARG  14          HH11      ARG  14  45.033  18.248   1.226
  108   HH12  ARG  14          HH12      ARG  14  46.358  18.315   0.112
  109   HH21  ARG  14          HH21      ARG  14  44.333  18.475  -2.699
  110   HH22  ARG  14          HH22      ARG  14  45.962  18.445  -2.110
  111    H    PHE  15           HN       PHE  15  44.739  13.856  -1.754
  112    HA   PHE  15           HA       PHE  15  42.503  14.534  -3.338
  113    HB2  PHE  15           HB2      PHE  15  44.874  14.314  -4.132
  114    HB3  PHE  15           HB1      PHE  15  44.702  12.546  -4.042
  115    HD1  PHE  15           HD1      PHE  15  44.057  11.428  -6.022
  116    HD2  PHE  15           HD2      PHE  15  42.863  15.540  -5.443
  117    HE1  PHE  15           HE1      PHE  15  43.003  11.441  -8.277
  118    HE2  PHE  15           HE2      PHE  15  41.810  15.547  -7.700
  119    HZ   PHE  15           HZ       PHE  15  41.839  13.485  -9.097
  120    H    ILE  16           HN       ILE  16  43.563  11.433  -2.021
  121    HA   ILE  16           HA       ILE  16  40.816  10.349  -2.387
  122    HB   ILE  16           HB       ILE  16  41.864   8.126  -3.145
  123   HG12  ILE  16          HG12      ILE  16  44.160  10.004  -3.887
  124   HG13  ILE  16          HG11      ILE  16  44.215   8.802  -2.576
  125   HG21  ILE  16          HG21      ILE  16  41.800   8.754  -5.502
  126   HG22  ILE  16          HG22      ILE  16  42.112  10.457  -5.095
  127   HG23  ILE  16          HG23      ILE  16  40.571   9.701  -4.634
  128   HD11  ILE  16           HD1      ILE  16  43.536   7.084  -4.458
  129   HD12  ILE  16           HD2      ILE  16  45.221   7.648  -4.373
  130   HD13  ILE  16           HD3      ILE  16  44.112   8.347  -5.574
  131    H    HIS  17           HN       HIS  17  41.563  11.277  -0.130
  132    HA   HIS  17           HA       HIS  17  42.055   8.870   1.541
  133    HB2  HIS  17           HB2      HIS  17  44.303  10.012   1.134
  134    HB3  HIS  17           HB1      HIS  17  43.641  11.434   1.973
  135    HD1  HIS  17           HD1      HIS  17  42.266   8.325   3.350
  136    HD2  HIS  17           HD2      HIS  17  45.681  10.689   4.012
  137    HE1  HIS  17           HE1      HIS  17  43.261   7.614   5.592
  138    H    GLY  18           HN       GLY  18  40.882  12.078   0.888
  139    HA2  GLY  18           HA1      GLY  18  39.979  12.932   3.428
  140    HA3  GLY  18           HA2      GLY  18  39.122  13.226   1.884
  141    H    MET  19           HN       MET  19  38.385  11.049   0.961
  142    HA   MET  19           HA       MET  19  37.308   9.082   2.591
  143    HB2  MET  19           HB2      MET  19  35.918  11.140   3.396
  144    HB3  MET  19           HB1      MET  19  35.115  10.975   1.823
  145    HG2  MET  19           HG2      MET  19  34.352   8.740   2.368
  146    HG3  MET  19           HG1      MET  19  35.365   8.687   3.830
  147    HE1  MET  19           HE1      MET  19  32.086   8.794   5.656
  148    HE2  MET  19           HE2      MET  19  33.819   8.433   5.842
  149    HE3  MET  19           HE3      MET  19  32.912   7.756   4.469
  150    H    ILE  20           HN       ILE  20  38.496  10.058   0.008
  151    HA   ILE  20           HA       ILE  20  38.309   9.470  -2.220
  152    HB   ILE  20           HB       ILE  20  36.545   7.246  -1.061
  153   HG12  ILE  20          HG12      ILE  20  38.420   5.820  -1.725
  154   HG13  ILE  20          HG11      ILE  20  39.243   7.203  -2.483
  155   HG21  ILE  20          HG21      ILE  20  35.585   7.565  -3.214
  156   HG22  ILE  20          HG22      ILE  20  36.787   6.277  -3.457
  157   HG23  ILE  20          HG23      ILE  20  37.158   7.947  -3.953
  158   HD11  ILE  20           HD1      ILE  20  39.985   6.500  -0.080
  159   HD12  ILE  20           HD2      ILE  20  38.473   7.268   0.458
  160   HD13  ILE  20           HD3      ILE  20  39.708   8.228  -0.396
  161    H    GLN  21           HN       GLN  21  36.063  10.602  -0.087
  162    HA   GLN  21           HA       GLN  21  34.314  11.655  -2.333
  163    HB2  GLN  21           HB2      GLN  21  33.153   9.750  -1.240
  164    HB3  GLN  21           HB1      GLN  21  33.312  10.572   0.331
  165    HG2  GLN  21           HG2      GLN  21  31.896  12.380  -0.355
  166    HG3  GLN  21           HG1      GLN  21  31.968  11.887  -2.065
  167   HE21  GLN  21          HE21      GLN  21  31.196   9.414  -2.359
  168   HE22  GLN  21          HE22      GLN  21  29.708   9.023  -1.490
  169    H    ASN  22           HN       ASN  22  36.187  12.217   0.572
  170    HA   ASN  22           HA       ASN  22  34.804  14.871   0.957
  171    HB2  ASN  22           HB2      ASN  22  35.194  13.352   2.954
  172    HB3  ASN  22           HB1      ASN  22  36.937  13.590   2.700
  173   HD21  ASN  22          HD21      ASN  22  37.762  15.890   2.786
  174   HD22  ASN  22          HD22      ASN  22  36.883  17.051   3.787
  175    H    HIS  23           HN       HIS  23  37.643  13.229  -0.191
  176    HA   HIS  23           HA       HIS  23  39.762  14.931  -0.077
  177    HB2  HIS  23           HB2      HIS  23  40.320  14.347  -2.421
  178    HB3  HIS  23           HB1      HIS  23  39.728  12.935  -1.510
  179    HD1  HIS  23           HD1      HIS  23  39.255  14.696  -4.638
  180    HD2  HIS  23           HD2      HIS  23  36.751  12.592  -1.999
  181    HE1  HIS  23           HE1      HIS  23  37.127  14.103  -5.921
  182    H    HIS  24           HN       HIS  24  39.433  17.110   0.242
  183    HA   HIS  24           HA       HIS  24  39.034  19.318  -0.346
  184    HB2  HIS  24           HB2      HIS  24  40.661  18.692  -2.150
  185    HB3  HIS  24           HB1      HIS  24  39.282  18.297  -3.202
  186    HD1  HIS  24           HD1      HIS  24  40.861  21.230  -1.329
  187    HD2  HIS  24           HD2      HIS  24  38.113  20.511  -4.430
  188    HE1  HIS  24           HE1      HIS  24  40.251  23.492  -2.347
  Start of MODEL   37
    1    H1   PHE   1           HT1      PHE   1  62.678   8.492   0.784
    2    H2   PHE   1           HT2      PHE   1  63.444   7.173   1.532
    3    H3   PHE   1           HT3      PHE   1  61.770   7.135   1.238
    4    HA   PHE   1           HA       PHE   1  62.507   7.501  -1.203
    5    HB2  PHE   1           HB2      PHE   1  64.904   6.254   0.193
    6    HB3  PHE   1           HB1      PHE   1  64.616   6.108  -1.558
    7    HD1  PHE   1           HD1      PHE   1  65.173   7.899  -3.039
    8    HD2  PHE   1           HD2      PHE   1  65.053   8.597   1.220
    9    HE1  PHE   1           HE1      PHE   1  66.169  10.157  -3.379
   10    HE2  PHE   1           HE2      PHE   1  66.047  10.855   0.877
   11    HZ   PHE   1           HZ       PHE   1  66.620  11.629  -1.421
   12    H    LEU   2           HN       LEU   2  60.561   6.237   0.276
   13    HA   LEU   2           HA       LEU   2  60.798   3.422   0.512
   14    HB2  LEU   2           HB2      LEU   2  58.886   4.998   1.268
   15    HB3  LEU   2           HB1      LEU   2  58.269   4.842  -0.390
   16    HG   LEU   2           HG       LEU   2  58.550   2.220   0.067
   17   HD11  LEU   2          HD11      LEU   2  58.283   3.384   2.880
   18   HD12  LEU   2          HD12      LEU   2  59.640   2.412   2.265
   19   HD13  LEU   2          HD13      LEU   2  58.034   1.675   2.457
   20   HD21  LEU   2          HD21      LEU   2  56.217   2.186   1.015
   21   HD22  LEU   2          HD22      LEU   2  56.394   3.264  -0.390
   22   HD23  LEU   2          HD23      LEU   2  56.332   3.947   1.253
   23    H    GLY   3           HN       GLY   3  60.633   5.457  -2.280
   24    HA2  GLY   3           HA1      GLY   3  61.003   4.839  -4.501
   25    HA3  GLY   3           HA2      GLY   3  60.965   3.128  -4.031
   26    H    ALA   4           HN       ALA   4  58.283   4.591  -2.697
   27    HA   ALA   4           HA       ALA   4  56.571   4.717  -5.033
   28    HB1  ALA   4           HB1      ALA   4  55.345   2.696  -4.824
   29    HB2  ALA   4           HB2      ALA   4  56.115   2.295  -3.269
   30    HB3  ALA   4           HB3      ALA   4  57.058   2.219  -4.776
   31    H    LEU   5           HN       LEU   5  54.289   5.020  -4.463
   32    HA   LEU   5           HA       LEU   5  52.713   6.176  -3.219
   33    HB2  LEU   5           HB2      LEU   5  53.996   4.385  -1.137
   34    HB3  LEU   5           HB1      LEU   5  52.679   5.488  -0.694
   35    HG   LEU   5           HG       LEU   5  51.978   3.111  -1.289
   36   HD11  LEU   5          HD11      LEU   5  50.514   5.284  -1.501
   37   HD12  LEU   5          HD12      LEU   5  49.944   3.787  -2.266
   38   HD13  LEU   5          HD13      LEU   5  50.701   5.050  -3.254
   39   HD21  LEU   5          HD21      LEU   5  52.571   3.982  -4.151
   40   HD22  LEU   5          HD22      LEU   5  51.989   2.397  -3.593
   41   HD23  LEU   5          HD23      LEU   5  53.640   2.928  -3.197
   42    H    ILE   6           HN       ILE   6  55.716   7.095  -3.349
   43    HA   ILE   6           HA       ILE   6  55.869   8.833  -0.932
   44    HB   ILE   6           HB       ILE   6  57.940   9.701  -1.978
   45   HG12  ILE   6          HG12      ILE   6  57.073   8.034  -4.389
   46   HG13  ILE   6          HG11      ILE   6  57.214   9.806  -4.324
   47   HG21  ILE   6          HG21      ILE   6  59.235   7.687  -1.909
   48   HG22  ILE   6          HG22      ILE   6  57.866   6.698  -2.472
   49   HG23  ILE   6          HG23      ILE   6  57.847   7.399  -0.837
   50   HD11  ILE   6           HD1      ILE   6  59.231   9.112  -5.363
   51   HD12  ILE   6           HD2      ILE   6  59.427   7.727  -4.263
   52   HD13  ILE   6           HD3      ILE   6  59.703   9.384  -3.669
   53    H    LYS   7           HN       LYS   7  57.009  11.138  -2.438
   54    HA   LYS   7           HA       LYS   7  56.056  13.230  -2.847
   55    HB2  LYS   7           HB2      LYS   7  54.242  11.458  -4.545
   56    HB3  LYS   7           HB1      LYS   7  53.903  13.195  -4.362
   57    HG2  LYS   7           HG2      LYS   7  56.172  13.729  -5.209
   58    HG3  LYS   7           HG1      LYS   7  56.507  11.991  -5.400
   59    HD2  LYS   7           HD2      LYS   7  54.636  11.792  -7.001
   60    HD3  LYS   7           HD1      LYS   7  54.269  13.522  -6.798
   61    HE2  LYS   7           HE2      LYS   7  55.646  13.049  -8.844
   62    HE3  LYS   7           HE1      LYS   7  56.460  14.138  -7.696
   63    HZ1  LYS   7           HZ1      LYS   7  58.047  12.636  -7.299
   64    HZ2  LYS   7           HZ2      LYS   7  57.523  11.871  -8.722
   65    HZ3  LYS   7           HZ3      LYS   7  56.960  11.339  -7.210
   66    H    GLY   8           HN       GLY   8  55.681  11.346  -0.942
   67    HA2  GLY   8           HA1      GLY   8  54.523  10.529   0.753
   68    HA3  GLY   8           HA2      GLY   8  54.218  12.272   1.118
   69    H    ALA   9           HN       ALA   9  52.977   9.282  -0.130
   70    HA   ALA   9           HA       ALA   9  50.879   8.562  -0.718
   71    HB1  ALA   9           HB1      ALA   9  50.350   8.917   1.589
   72    HB2  ALA   9           HB2      ALA   9  48.999   9.595   0.648
   73    HB3  ALA   9           HB3      ALA   9  50.222  10.676   1.357
   74    H    ILE  10           HN       ILE  10  52.111  10.435  -2.425
   75    HA   ILE  10           HA       ILE  10  51.669  12.142  -3.961
   76    HB   ILE  10           HB       ILE  10  49.378  11.512  -5.258
   77   HG12  ILE  10          HG12      ILE  10  50.010   9.004  -3.620
   78   HG13  ILE  10          HG11      ILE  10  48.573  10.025  -3.418
   79   HG21  ILE  10          HG21      ILE  10  51.757  11.162  -6.058
   80   HG22  ILE  10          HG22      ILE  10  50.628   9.895  -6.576
   81   HG23  ILE  10          HG23      ILE  10  51.748   9.588  -5.229
   82   HD11  ILE  10           HD1      ILE  10  47.755   8.325  -4.821
   83   HD12  ILE  10           HD2      ILE  10  49.287   8.180  -5.710
   84   HD13  ILE  10           HD3      ILE  10  48.215   9.573  -6.003
   85    H    HIS  11           HN       HIS  11  48.212  11.695  -3.643
   86    HA   HIS  11           HA       HIS  11  47.642  14.422  -3.425
   87    HB2  HIS  11           HB2      HIS  11  46.029  12.170  -2.173
   88    HB3  HIS  11           HB1      HIS  11  45.436  13.770  -2.677
   89    HD1  HIS  11           HD1      HIS  11  46.489  14.198  -5.420
   90    HD2  HIS  11           HD2      HIS  11  45.137  10.431  -4.127
   91    HE1  HIS  11           HE1      HIS  11  45.945  12.827  -7.506
   92    H    GLY  12           HN       GLY  12  49.298  12.533  -1.102
   93    HA2  GLY  12           HA1      GLY  12  48.166  13.625   1.301
   94    HA3  GLY  12           HA2      GLY  12  49.816  13.001   1.117
   95    H    GLY  13           HN       GLY  13  49.532  15.182  -1.272
   96    HA2  GLY  13           HA1      GLY  13  49.771  17.672   0.207
   97    HA3  GLY  13           HA2      GLY  13  51.343  17.046  -0.330
   98    H    ARG  14           HN       ARG  14  49.577  15.767  -2.638
   99    HA   ARG  14           HA       ARG  14  49.983  18.109  -4.448
  100    HB2  ARG  14           HB2      ARG  14  49.616  15.123  -4.811
  101    HB3  ARG  14           HB1      ARG  14  49.342  16.223  -6.181
  102    HG2  ARG  14           HG2      ARG  14  51.699  15.308  -6.041
  103    HG3  ARG  14           HG1      ARG  14  51.605  17.083  -6.036
  104    HD2  ARG  14           HD2      ARG  14  52.012  17.197  -3.676
  105    HD3  ARG  14           HD1      ARG  14  51.726  15.454  -3.469
  106    HE   ARG  14           HE       ARG  14  53.880  15.647  -5.254
  107   HH11  ARG  14          HH11      ARG  14  53.073  15.972  -1.953
  108   HH12  ARG  14          HH12      ARG  14  54.701  16.246  -1.429
  109   HH21  ARG  14          HH21      ARG  14  56.005  16.317  -4.641
  110   HH22  ARG  14          HH22      ARG  14  56.361  16.440  -2.951
  111    H    PHE  15           HN       PHE  15  47.436  16.500  -2.739
  112    HA   PHE  15           HA       PHE  15  45.246  16.661  -4.432
  113    HB2  PHE  15           HB2      PHE  15  45.376  16.011  -1.918
  114    HB3  PHE  15           HB1      PHE  15  45.081  17.732  -1.593
  115    HD1  PHE  15           HD1      PHE  15  43.738  14.968  -3.811
  116    HD2  PHE  15           HD2      PHE  15  42.821  18.396  -1.345
  117    HE1  PHE  15           HE1      PHE  15  41.310  14.604  -4.203
  118    HE2  PHE  15           HE2      PHE  15  40.393  18.027  -1.743
  119    HZ   PHE  15           HZ       PHE  15  39.636  16.125  -3.161
  120    H    ILE  16           HN       ILE  16  46.492  19.383  -2.410
  121    HA   ILE  16           HA       ILE  16  45.746  21.285  -4.531
  122    HB   ILE  16           HB       ILE  16  44.336  22.693  -2.981
  123   HG12  ILE  16          HG12      ILE  16  44.416  20.129  -1.320
  124   HG13  ILE  16          HG11      ILE  16  45.001  21.729  -0.825
  125   HG21  ILE  16          HG21      ILE  16  43.430  21.057  -4.760
  126   HG22  ILE  16          HG22      ILE  16  42.301  21.540  -3.479
  127   HG23  ILE  16          HG23      ILE  16  43.090  19.947  -3.412
  128   HD11  ILE  16           HD1      ILE  16  42.872  21.554   0.207
  129   HD12  ILE  16           HD2      ILE  16  42.137  20.813  -1.234
  130   HD13  ILE  16           HD3      ILE  16  42.565  22.541  -1.241
  131    H    HIS  17           HN       HIS  17  48.234  20.800  -3.793
  132    HA   HIS  17           HA       HIS  17  49.074  23.363  -2.699
  133    HB2  HIS  17           HB2      HIS  17  48.558  22.206  -0.571
  134    HB3  HIS  17           HB1      HIS  17  49.641  20.874  -1.036
  135    HD1  HIS  17           HD1      HIS  17  51.846  21.077   0.095
  136    HD2  HIS  17           HD2      HIS  17  50.210  24.838  -0.832
  137    HE1  HIS  17           HE1      HIS  17  53.538  22.846   0.830
  138    H    GLY  18           HN       GLY  18  49.367  20.591  -4.452
  139    HA2  GLY  18           HA1      GLY  18  52.122  21.307  -5.313
  140    HA3  GLY  18           HA2      GLY  18  51.830  19.639  -4.768
  141    H    MET  19           HN       MET  19  49.714  21.881  -6.496
  142    HA   MET  19           HA       MET  19  49.986  20.785  -9.143
  143    HB2  MET  19           HB2      MET  19  49.053  18.870  -8.039
  144    HB3  MET  19           HB1      MET  19  47.726  19.865  -7.458
  145    HG2  MET  19           HG2      MET  19  46.919  20.237  -9.719
  146    HG3  MET  19           HG1      MET  19  48.369  19.471 -10.405
  147    HE1  MET  19           HE1      MET  19  45.596  18.967 -11.232
  148    HE2  MET  19           HE2      MET  19  45.164  17.243 -11.122
  149    HE3  MET  19           HE3      MET  19  46.686  17.732 -11.905
  150    H    ILE  20           HN       ILE  20  47.400  21.791  -6.830
  151    HA   ILE  20           HA       ILE  20  46.321  23.727  -8.763
  152    HB   ILE  20           HB       ILE  20  45.995  23.309  -5.746
  153   HG12  ILE  20          HG12      ILE  20  43.702  22.794  -6.333
  154   HG13  ILE  20          HG11      ILE  20  43.930  23.393  -7.990
  155   HG21  ILE  20          HG21      ILE  20  45.965  25.707  -5.945
  156   HG22  ILE  20          HG22      ILE  20  44.261  25.199  -5.917
  157   HG23  ILE  20          HG23      ILE  20  45.035  25.639  -7.459
  158   HD11  ILE  20           HD1      ILE  20  43.991  20.828  -7.662
  159   HD12  ILE  20           HD2      ILE  20  45.573  21.083  -6.886
  160   HD13  ILE  20           HD3      ILE  20  45.329  21.555  -8.583
  161    H    GLN  21           HN       GLN  21  49.034  23.141  -7.036
  162    HA   GLN  21           HA       GLN  21  50.023  25.951  -7.148
  163    HB2  GLN  21           HB2      GLN  21  49.760  24.991  -4.801
  164    HB3  GLN  21           HB1      GLN  21  50.953  23.752  -5.258
  165    HG2  GLN  21           HG2      GLN  21  52.620  25.481  -5.750
  166    HG3  GLN  21           HG1      GLN  21  51.429  26.760  -5.408
  167   HE21  GLN  21          HE21      GLN  21  50.905  27.242  -3.192
  168   HE22  GLN  21          HE22      GLN  21  51.790  26.509  -1.851
  169    H    ASN  22           HN       ASN  22  50.364  22.406  -8.001
  170    HA   ASN  22           HA       ASN  22  53.034  23.237  -9.290
  171    HB2  ASN  22           HB2      ASN  22  52.986  21.347  -7.491
  172    HB3  ASN  22           HB1      ASN  22  52.251  20.360  -8.770
  173   HD21  ASN  22          HD21      ASN  22  55.244  21.689  -7.567
  174   HD22  ASN  22          HD22      ASN  22  56.258  21.132  -8.902
  175    H    HIS  23           HN       HIS  23  50.146  23.448 -10.278
  176    HA   HIS  23           HA       HIS  23  49.028  23.076 -12.279
  177    HB2  HIS  23           HB2      HIS  23  51.125  24.174 -13.108
  178    HB3  HIS  23           HB1      HIS  23  51.823  22.558 -13.365
  179    HD1  HIS  23           HD1      HIS  23  48.768  24.631 -14.428
  180    HD2  HIS  23           HD2      HIS  23  51.123  21.426 -15.798
  181    HE1  HIS  23           HE1      HIS  23  47.964  24.046 -16.782
  182    H    HIS  24           HN       HIS  24  48.725  21.488 -14.171
  183    HA   HIS  24           HA       HIS  24  48.530  18.814 -12.988
  184    HB2  HIS  24           HB2      HIS  24  47.836  19.909 -15.741
  185    HB3  HIS  24           HB1      HIS  24  47.504  18.243 -15.210
  186    HD1  HIS  24           HD1      HIS  24  46.896  21.794 -13.830
  187    HD2  HIS  24           HD2      HIS  24  45.027  18.032 -14.017
  188    HE1  HIS  24           HE1      HIS  24  44.588  22.036 -12.762
  Start of MODEL   38
    1    H1   PHE   1           HT1      PHE   1  56.620  11.916   5.038
    2    H2   PHE   1           HT2      PHE   1  57.017  13.457   5.636
    3    H3   PHE   1           HT3      PHE   1  58.245  12.386   5.154
    4    HA   PHE   1           HA       PHE   1  56.543  14.112   3.592
    5    HB2  PHE   1           HB2      PHE   1  59.031  14.375   3.928
    6    HB3  PHE   1           HB1      PHE   1  59.258  12.857   3.028
    7    HD1  PHE   1           HD1      PHE   1  57.829  16.315   2.795
    8    HD2  PHE   1           HD2      PHE   1  59.149  12.819   0.632
    9    HE1  PHE   1           HE1      PHE   1  57.648  17.571   0.653
   10    HE2  PHE   1           HE2      PHE   1  58.967  14.077  -1.511
   11    HZ   PHE   1           HZ       PHE   1  58.282  16.473  -1.493
   12    H    LEU   2           HN       LEU   2  56.427  10.901   4.163
   13    HA   LEU   2           HA       LEU   2  55.093  10.366   1.634
   14    HB2  LEU   2           HB2      LEU   2  56.551   8.728   0.700
   15    HB3  LEU   2           HB1      LEU   2  57.570  10.138   1.058
   16    HG   LEU   2           HG       LEU   2  57.347   7.554   2.667
   17   HD11  LEU   2          HD11      LEU   2  58.812   7.500   0.678
   18   HD12  LEU   2          HD12      LEU   2  59.771   7.431   2.175
   19   HD13  LEU   2          HD13      LEU   2  59.662   8.952   1.258
   20   HD21  LEU   2          HD21      LEU   2  57.498   9.275   4.334
   21   HD22  LEU   2          HD22      LEU   2  58.630  10.235   3.349
   22   HD23  LEU   2          HD23      LEU   2  59.167   8.711   4.095
   23    H    GLY   3           HN       GLY   3  54.976   7.681   1.553
   24    HA2  GLY   3           HA1      GLY   3  54.730   6.438   4.142
   25    HA3  GLY   3           HA2      GLY   3  53.151   7.019   3.580
   26    H    ALA   4           HN       ALA   4  52.873   6.511   1.065
   27    HA   ALA   4           HA       ALA   4  52.843   3.589   0.942
   28    HB1  ALA   4           HB1      ALA   4  51.805   4.006  -1.302
   29    HB2  ALA   4           HB2      ALA   4  52.048   5.749  -1.038
   30    HB3  ALA   4           HB3      ALA   4  50.974   4.826   0.042
   31    H    LEU   5           HN       LEU   5  54.400   6.206  -0.967
   32    HA   LEU   5           HA       LEU   5  56.771   4.562  -1.382
   33    HB2  LEU   5           HB2      LEU   5  54.873   3.784  -3.074
   34    HB3  LEU   5           HB1      LEU   5  55.331   5.253  -3.960
   35    HG   LEU   5           HG       LEU   5  57.184   2.959  -3.158
   36   HD11  LEU   5          HD11      LEU   5  55.587   2.593  -5.091
   37   HD12  LEU   5          HD12      LEU   5  57.308   2.514  -5.540
   38   HD13  LEU   5          HD13      LEU   5  56.355   3.971  -5.911
   39   HD21  LEU   5          HD21      LEU   5  57.700   5.668  -4.451
   40   HD22  LEU   5          HD22      LEU   5  58.811   4.294  -4.669
   41   HD23  LEU   5          HD23      LEU   5  58.512   4.944  -3.042
   42    H    ILE   6           HN       ILE   6  55.063   7.064  -3.327
   43    HA   ILE   6           HA       ILE   6  56.644   9.260  -2.274
   44    HB   ILE   6           HB       ILE   6  58.328   7.842  -3.758
   45   HG12  ILE   6          HG12      ILE   6  59.123  10.205  -4.818
   46   HG13  ILE   6          HG11      ILE   6  57.863  10.840  -3.738
   47   HG21  ILE   6          HG21      ILE   6  56.419   7.944  -5.693
   48   HG22  ILE   6          HG22      ILE   6  58.153   7.836  -6.064
   49   HG23  ILE   6          HG23      ILE   6  57.332   9.406  -6.135
   50   HD11  ILE   6           HD1      ILE   6  58.937   9.589  -1.835
   51   HD12  ILE   6           HD2      ILE   6  59.991  10.830  -2.551
   52   HD13  ILE   6           HD3      ILE   6  60.247   9.114  -2.942
   53    H    LYS   7           HN       LYS   7  56.676  10.631  -4.991
   54    HA   LYS   7           HA       LYS   7  55.176  12.204  -5.831
   55    HB2  LYS   7           HB2      LYS   7  54.053  10.064  -6.810
   56    HB3  LYS   7           HB1      LYS   7  52.955  10.146  -5.413
   57    HG2  LYS   7           HG2      LYS   7  52.164  12.342  -6.076
   58    HG3  LYS   7           HG1      LYS   7  53.394  12.452  -7.360
   59    HD2  LYS   7           HD2      LYS   7  52.373  10.577  -8.556
   60    HD3  LYS   7           HD1      LYS   7  51.195  10.343  -7.242
   61    HE2  LYS   7           HE2      LYS   7  50.200  11.618  -9.125
   62    HE3  LYS   7           HE1      LYS   7  50.282  12.606  -7.647
   63    HZ1  LYS   7           HZ1      LYS   7  52.688  12.850  -9.119
   64    HZ2  LYS   7           HZ2      LYS   7  51.570  14.056  -8.692
   65    HZ3  LYS   7           HZ3      LYS   7  51.374  13.184 -10.136
   66    H    GLY   8           HN       GLY   8  55.962  11.502  -3.338
   67    HA2  GLY   8           HA1      GLY   8  55.681  11.564  -1.137
   68    HA3  GLY   8           HA2      GLY   8  55.215  13.274  -1.481
   69    H    ALA   9           HN       ALA   9  54.055   9.968  -1.041
   70    HA   ALA   9           HA       ALA   9  51.995   9.123  -0.432
   71    HB1  ALA   9           HB1      ALA   9  50.929  10.319   1.487
   72    HB2  ALA   9           HB2      ALA   9  52.074  11.658   1.236
   73    HB3  ALA   9           HB3      ALA   9  52.675  10.048   1.701
   74    H    ILE  10           HN       ILE  10  51.826  10.325  -2.873
   75    HA   ILE  10           HA       ILE  10  50.456  11.559  -4.308
   76    HB   ILE  10           HB       ILE  10  48.021  10.792  -4.148
   77   HG12  ILE  10          HG12      ILE  10  49.125   9.061  -1.883
   78   HG13  ILE  10          HG11      ILE  10  48.066  10.464  -1.631
   79   HG21  ILE  10          HG21      ILE  10  48.543   8.546  -4.884
   80   HG22  ILE  10          HG22      ILE  10  50.083   8.554  -3.993
   81   HG23  ILE  10          HG23      ILE  10  49.870   9.600  -5.417
   82   HD11  ILE  10           HD1      ILE  10  47.425   7.814  -2.958
   83   HD12  ILE  10           HD2      ILE  10  46.452   9.261  -3.315
   84   HD13  ILE  10           HD3      ILE  10  46.557   8.647  -1.650
   85    H    HIS  11           HN       HIS  11  51.146  13.555  -3.058
   86    HA   HIS  11           HA       HIS  11  50.577  15.613  -2.150
   87    HB2  HIS  11           HB2      HIS  11  47.848  14.884  -3.289
   88    HB3  HIS  11           HB1      HIS  11  48.375  16.516  -2.811
   89    HD1  HIS  11           HD1      HIS  11  50.648  14.029  -4.569
   90    HD2  HIS  11           HD2      HIS  11  48.441  17.487  -5.483
   91    HE1  HIS  11           HE1      HIS  11  51.397  14.820  -6.880
   92    H    GLY  12           HN       GLY  12  50.152  13.060  -0.581
   93    HA2  GLY  12           HA1      GLY  12  49.323  12.463   1.495
   94    HA3  GLY  12           HA2      GLY  12  49.292  14.204   1.840
   95    H    GLY  13           HN       GLY  13  47.439  11.817  -0.112
   96    HA2  GLY  13           HA1      GLY  13  45.154  11.500  -0.295
   97    HA3  GLY  13           HA2      GLY  13  45.028  12.141   1.356
   98    H    ARG  14           HN       ARG  14  45.480  13.178  -2.034
   99    HA   ARG  14           HA       ARG  14  43.290  15.038  -1.858
  100    HB2  ARG  14           HB2      ARG  14  44.847  16.374  -0.524
  101    HB3  ARG  14           HB1      ARG  14  46.104  16.203  -1.767
  102    HG2  ARG  14           HG2      ARG  14  44.917  18.414  -1.863
  103    HG3  ARG  14           HG1      ARG  14  44.769  17.487  -3.369
  104    HD2  ARG  14           HD2      ARG  14  42.500  16.965  -2.972
  105    HD3  ARG  14           HD1      ARG  14  42.639  17.241  -1.219
  106    HE   ARG  14           HE       ARG  14  42.160  19.509  -1.626
  107   HH11  ARG  14          HH11      ARG  14  40.613  19.880  -3.707
  108   HH12  ARG  14          HH12      ARG  14  41.556  20.413  -5.058
  109   HH21  ARG  14          HH21      ARG  14  44.572  19.375  -3.697
  110   HH22  ARG  14          HH22      ARG  14  43.799  20.129  -5.052
  111    H    PHE  15           HN       PHE  15  46.161  13.750  -3.398
  112    HA   PHE  15           HA       PHE  15  46.113  14.959  -5.915
  113    HB2  PHE  15           HB2      PHE  15  47.710  13.178  -5.123
  114    HB3  PHE  15           HB1      PHE  15  46.437  11.974  -5.437
  115    HD1  PHE  15           HD1      PHE  15  46.312  10.996  -7.591
  116    HD2  PHE  15           HD2      PHE  15  48.210  14.847  -7.122
  117    HE1  PHE  15           HE1      PHE  15  46.955  10.974  -9.996
  118    HE2  PHE  15           HE2      PHE  15  48.852  14.821  -9.529
  119    HZ   PHE  15           HZ       PHE  15  48.177  12.909 -10.978
  120    H    ILE  16           HN       ILE  16  44.121  12.205  -4.765
  121    HA   ILE  16           HA       ILE  16  42.547  12.292  -7.288
  122    HB   ILE  16           HB       ILE  16  42.068  10.512  -4.863
  123   HG12  ILE  16          HG12      ILE  16  44.450  10.344  -5.889
  124   HG13  ILE  16          HG11      ILE  16  43.511   8.849  -5.752
  125   HG21  ILE  16          HG21      ILE  16  41.069   9.035  -6.692
  126   HG22  ILE  16          HG22      ILE  16  41.216  10.431  -7.782
  127   HG23  ILE  16          HG23      ILE  16  40.183  10.535  -6.338
  128   HD11  ILE  16           HD1      ILE  16  44.715   9.179  -7.972
  129   HD12  ILE  16           HD2      ILE  16  43.597  10.517  -8.305
  130   HD13  ILE  16           HD3      ILE  16  42.971   8.866  -8.104
  131    H    HIS  17           HN       HIS  17  41.387  11.866  -3.893
  132    HA   HIS  17           HA       HIS  17  39.883  14.381  -4.003
  133    HB2  HIS  17           HB2      HIS  17  38.457  11.719  -4.396
  134    HB3  HIS  17           HB1      HIS  17  37.631  13.175  -3.797
  135    HD1  HIS  17           HD1      HIS  17  38.592  15.412  -5.492
  136    HD2  HIS  17           HD2      HIS  17  37.827  11.593  -7.077
  137    HE1  HIS  17           HE1      HIS  17  38.245  15.688  -8.008
  138    H    GLY  18           HN       GLY  18  41.806  13.309  -2.212
  139    HA2  GLY  18           HA1      GLY  18  41.940  13.429   0.137
  140    HA3  GLY  18           HA2      GLY  18  40.191  13.328   0.251
  141    H    MET  19           HN       MET  19  43.046  11.521  -0.611
  142    HA   MET  19           HA       MET  19  43.341   9.258  -0.525
  143    HB2  MET  19           HB2      MET  19  43.619  10.306   1.847
  144    HB3  MET  19           HB1      MET  19  42.231   9.264   2.216
  145    HG2  MET  19           HG2      MET  19  44.204   7.998   2.764
  146    HG3  MET  19           HG1      MET  19  43.596   7.321   1.238
  147    HE1  MET  19           HE1      MET  19  45.620   6.384  -0.088
  148    HE2  MET  19           HE2      MET  19  46.023   6.320   1.645
  149    HE3  MET  19           HE3      MET  19  47.244   6.857   0.467
  150    H    ILE  20           HN       ILE  20  40.500  10.066  -1.270
  151    HA   ILE  20           HA       ILE  20  38.522   8.913  -1.639
  152    HB   ILE  20           HB       ILE  20  40.408   6.504  -1.445
  153   HG12  ILE  20          HG12      ILE  20  40.064   6.404  -3.867
  154   HG13  ILE  20          HG11      ILE  20  38.886   7.734  -3.785
  155   HG21  ILE  20          HG21      ILE  20  38.380   5.291  -2.527
  156   HG22  ILE  20          HG22      ILE  20  37.403   6.628  -1.873
  157   HG23  ILE  20          HG23      ILE  20  38.327   5.577  -0.773
  158   HD11  ILE  20           HD1      ILE  20  41.356   8.284  -4.478
  159   HD12  ILE  20           HD2      ILE  20  41.714   8.122  -2.745
  160   HD13  ILE  20           HD3      ILE  20  40.548   9.348  -3.303
  161    H    GLN  21           HN       GLN  21  40.452   8.924   1.072
  162    HA   GLN  21           HA       GLN  21  38.173   7.958   2.828
  163    HB2  GLN  21           HB2      GLN  21  41.141   7.397   3.202
  164    HB3  GLN  21           HB1      GLN  21  39.855   6.993   4.363
  165    HG2  GLN  21           HG2      GLN  21  39.920   5.990   1.485
  166    HG3  GLN  21           HG1      GLN  21  40.539   5.066   2.874
  167   HE21  GLN  21          HE21      GLN  21  38.102   4.636   0.998
  168   HE22  GLN  21          HE22      GLN  21  36.759   4.429   2.127
  169    H    ASN  22           HN       ASN  22  40.748  10.341   2.163
  170    HA   ASN  22           HA       ASN  22  40.408  11.515   4.879
  171    HB2  ASN  22           HB2      ASN  22  41.997  12.348   2.413
  172    HB3  ASN  22           HB1      ASN  22  41.890  13.331   3.889
  173   HD21  ASN  22          HD21      ASN  22  41.703   9.941   4.545
  174   HD22  ASN  22          HD22      ASN  22  43.384   9.724   5.042
  175    H    HIS  23           HN       HIS  23  39.545  11.829   1.504
  176    HA   HIS  23           HA       HIS  23  37.852  13.085   0.483
  177    HB2  HIS  23           HB2      HIS  23  36.524  11.935   2.350
  178    HB3  HIS  23           HB1      HIS  23  36.643  13.467   3.247
  179    HD1  HIS  23           HD1      HIS  23  36.025  15.651   1.428
  180    HD2  HIS  23           HD2      HIS  23  34.213  11.899   0.860
  181    HE1  HIS  23           HE1      HIS  23  33.895  16.031   0.069
  182    H    HIS  24           HN       HIS  24  37.251  15.206  -0.037
  183    HA   HIS  24           HA       HIS  24  39.112  17.224   0.816
  184    HB2  HIS  24           HB2      HIS  24  37.971  17.200  -1.400
  185    HB3  HIS  24           HB1      HIS  24  36.433  17.573  -0.586
  186    HD1  HIS  24           HD1      HIS  24  35.938  19.990  -0.082
  187    HD2  HIS  24           HD2      HIS  24  39.981  19.337  -1.045
  188    HE1  HIS  24           HE1      HIS  24  37.066  22.277  -0.223
  Start of MODEL   39
    1    H1   PHE   1           HT1      PHE   1  51.800   2.798 -11.179
    2    H2   PHE   1           HT2      PHE   1  51.784   2.670  -9.485
    3    H3   PHE   1           HT3      PHE   1  51.298   1.355 -10.445
    4    HA   PHE   1           HA       PHE   1  53.375   0.723  -9.857
    5    HB2  PHE   1           HB2      PHE   1  53.856   2.393 -12.355
    6    HB3  PHE   1           HB1      PHE   1  54.749   0.941 -11.843
    7    HD1  PHE   1           HD1      PHE   1  51.519   2.223 -13.161
    8    HD2  PHE   1           HD2      PHE   1  53.793  -1.288 -12.092
    9    HE1  PHE   1           HE1      PHE   1  49.853   0.786 -14.331
   10    HE2  PHE   1           HE2      PHE   1  52.125  -2.723 -13.262
   11    HZ   PHE   1           HZ       PHE   1  50.160  -1.686 -14.387
   12    H    LEU   2           HN       LEU   2  52.887   2.995  -8.263
   13    HA   LEU   2           HA       LEU   2  54.957   4.980  -8.576
   14    HB2  LEU   2           HB2      LEU   2  53.205   4.090  -6.266
   15    HB3  LEU   2           HB1      LEU   2  54.440   5.344  -6.048
   16    HG   LEU   2           HG       LEU   2  52.066   6.157  -6.576
   17   HD11  LEU   2          HD11      LEU   2  52.823   8.031  -7.801
   18   HD12  LEU   2          HD12      LEU   2  54.031   7.093  -8.700
   19   HD13  LEU   2          HD13      LEU   2  54.288   7.455  -6.980
   20   HD21  LEU   2          HD21      LEU   2  51.669   4.363  -8.329
   21   HD22  LEU   2          HD22      LEU   2  52.751   5.269  -9.412
   22   HD23  LEU   2          HD23      LEU   2  51.241   6.013  -8.836
   23    H    GLY   3           HN       GLY   3  55.010   1.705  -7.623
   24    HA2  GLY   3           HA1      GLY   3  56.798   0.388  -6.960
   25    HA3  GLY   3           HA2      GLY   3  57.858   1.800  -7.137
   26    H    ALA   4           HN       ALA   4  55.626   3.059  -5.228
   27    HA   ALA   4           HA       ALA   4  56.131   1.734  -2.697
   28    HB1  ALA   4           HB1      ALA   4  57.697   4.258  -3.334
   29    HB2  ALA   4           HB2      ALA   4  58.359   2.650  -2.951
   30    HB3  ALA   4           HB3      ALA   4  57.496   3.580  -1.701
   31    H    LEU   5           HN       LEU   5  56.308   5.034  -2.135
   32    HA   LEU   5           HA       LEU   5  53.509   5.715  -2.598
   33    HB2  LEU   5           HB2      LEU   5  53.171   6.007   0.017
   34    HB3  LEU   5           HB1      LEU   5  52.885   4.427  -0.744
   35    HG   LEU   5           HG       LEU   5  55.110   3.652  -0.099
   36   HD11  LEU   5          HD11      LEU   5  55.441   6.521   0.862
   37   HD12  LEU   5          HD12      LEU   5  56.484   5.598  -0.248
   38   HD13  LEU   5          HD13      LEU   5  56.456   5.198   1.484
   39   HD21  LEU   5          HD21      LEU   5  53.265   3.437   1.541
   40   HD22  LEU   5          HD22      LEU   5  53.671   5.035   2.210
   41   HD23  LEU   5          HD23      LEU   5  54.823   3.687   2.363
   42    H    ILE   6           HN       ILE   6  56.215   6.731  -3.106
   43    HA   ILE   6           HA       ILE   6  56.561   9.055  -1.293
   44    HB   ILE   6           HB       ILE   6  58.369   9.699  -2.863
   45   HG12  ILE   6          HG12      ILE   6  57.264   7.426  -4.582
   46   HG13  ILE   6          HG11      ILE   6  57.289   9.154  -5.001
   47   HG21  ILE   6          HG21      ILE   6  59.816   7.822  -2.509
   48   HG22  ILE   6          HG22      ILE   6  58.458   6.674  -2.550
   49   HG23  ILE   6          HG23      ILE   6  58.643   7.785  -1.173
   50   HD11  ILE   6           HD1      ILE   6  59.622   7.223  -4.786
   51   HD12  ILE   6           HD2      ILE   6  59.874   8.985  -4.694
   52   HD13  ILE   6           HD3      ILE   6  59.159   8.262  -6.155
   53    H    LYS   7           HN       LYS   7  57.273  10.917  -3.514
   54    HA   LYS   7           HA       LYS   7  56.116  12.782  -4.295
   55    HB2  LYS   7           HB2      LYS   7  55.142  11.015  -5.957
   56    HB3  LYS   7           HB1      LYS   7  53.736  10.952  -4.866
   57    HG2  LYS   7           HG2      LYS   7  53.521  13.457  -5.115
   58    HG3  LYS   7           HG1      LYS   7  54.806  13.395  -6.345
   59    HD2  LYS   7           HD2      LYS   7  53.420  11.765  -7.653
   60    HD3  LYS   7           HD1      LYS   7  52.116  11.963  -6.457
   61    HE2  LYS   7           HE2      LYS   7  53.344  14.275  -8.015
   62    HE3  LYS   7           HE1      LYS   7  51.865  13.421  -8.515
   63    HZ1  LYS   7           HZ1      LYS   7  52.309  15.215  -6.239
   64    HZ2  LYS   7           HZ2      LYS   7  51.212  13.933  -6.031
   65    HZ3  LYS   7           HZ3      LYS   7  50.965  15.075  -7.263
   66    H    GLY   8           HN       GLY   8  56.233  11.491  -1.920
   67    HA2  GLY   8           HA1      GLY   8  55.432  11.121   0.116
   68    HA3  GLY   8           HA2      GLY   8  55.143  12.905   0.078
   69    H    ALA   9           HN       ALA   9  53.747   9.755  -0.747
   70    HA   ALA   9           HA       ALA   9  51.626   8.915  -0.492
   71    HB1  ALA   9           HB1      ALA   9  51.707  10.384   1.662
   72    HB2  ALA   9           HB2      ALA   9  50.123   9.840   1.062
   73    HB3  ALA   9           HB3      ALA   9  50.666  11.505   0.755
   74    H    ILE  10           HN       ILE  10  51.881   9.212  -2.851
   75    HA   ILE  10           HA       ILE  10  51.260  10.113  -4.904
   76    HB   ILE  10           HB       ILE  10  48.625  10.263  -5.080
   77   HG12  ILE  10          HG12      ILE  10  48.957   8.984  -2.323
   78   HG13  ILE  10          HG11      ILE  10  48.228  10.577  -2.642
   79   HG21  ILE  10          HG21      ILE  10  49.909   7.654  -4.150
   80   HG22  ILE  10          HG22      ILE  10  50.073   8.323  -5.791
   81   HG23  ILE  10          HG23      ILE  10  48.478   7.827  -5.192
   82   HD11  ILE  10           HD1      ILE  10  46.303   9.248  -2.581
   83   HD12  ILE  10           HD2      ILE  10  47.143   7.816  -3.220
   84   HD13  ILE  10           HD3      ILE  10  46.687   9.141  -4.313
   85    H    HIS  11           HN       HIS  11  48.394  11.777  -4.176
   86    HA   HIS  11           HA       HIS  11  49.775  14.345  -4.754
   87    HB2  HIS  11           HB2      HIS  11  47.645  13.640  -5.912
   88    HB3  HIS  11           HB1      HIS  11  46.813  13.793  -4.348
   89    HD1  HIS  11           HD1      HIS  11  49.455  16.280  -4.514
   90    HD2  HIS  11           HD2      HIS  11  45.482  16.026  -5.868
   91    HE1  HIS  11           HE1      HIS  11  48.685  18.654  -5.068
   92    H    GLY  12           HN       GLY  12  50.333  13.101  -2.214
   93    HA2  GLY  12           HA1      GLY  12  50.496  13.746   0.005
   94    HA3  GLY  12           HA2      GLY  12  49.949  15.359  -0.501
   95    H    GLY  13           HN       GLY  13  48.344  12.162  -0.653
   96    HA2  GLY  13           HA1      GLY  13  46.282  11.496   0.162
   97    HA3  GLY  13           HA2      GLY  13  46.624  12.525   1.570
   98    H    ARG  14           HN       ARG  14  45.952  13.074  -1.921
   99    HA   ARG  14           HA       ARG  14  43.533  14.647  -1.144
  100    HB2  ARG  14           HB2      ARG  14  45.414  16.282  -1.176
  101    HB3  ARG  14           HB1      ARG  14  45.795  15.791  -2.841
  102    HG2  ARG  14           HG2      ARG  14  44.448  17.860  -2.828
  103    HG3  ARG  14           HG1      ARG  14  43.539  16.534  -3.579
  104    HD2  ARG  14           HD2      ARG  14  42.049  16.361  -1.771
  105    HD3  ARG  14           HD1      ARG  14  43.215  17.040  -0.608
  106    HE   ARG  14           HE       ARG  14  42.505  19.020  -2.582
  107   HH11  ARG  14          HH11      ARG  14  41.684  20.844  -1.404
  108   HH12  ARG  14          HH12      ARG  14  40.467  20.547  -0.207
  109   HH21  ARG  14          HH21      ARG  14  40.787  17.098  -0.353
  110   HH22  ARG  14          HH22      ARG  14  39.962  18.426   0.389
  111    H    PHE  15           HN       PHE  15  45.481  12.836  -3.400
  112    HA   PHE  15           HA       PHE  15  44.172  13.231  -5.833
  113    HB2  PHE  15           HB2      PHE  15  46.087  11.606  -5.254
  114    HB3  PHE  15           HB1      PHE  15  44.816  10.454  -4.781
  115    HD1  PHE  15           HD1      PHE  15  45.971  12.628  -7.622
  116    HD2  PHE  15           HD2      PHE  15  43.687   9.162  -6.436
  117    HE1  PHE  15           HE1      PHE  15  45.646  12.021 -10.016
  118    HE2  PHE  15           HE2      PHE  15  43.364   8.556  -8.832
  119    HZ   PHE  15           HZ       PHE  15  44.366   9.971 -10.620
  120    H    ILE  16           HN       ILE  16  42.899  11.904  -2.890
  121    HA   ILE  16           HA       ILE  16  40.320  11.261  -4.315
  122    HB   ILE  16           HB       ILE  16  41.420   9.850  -1.842
  123   HG12  ILE  16          HG12      ILE  16  41.022   8.693  -4.642
  124   HG13  ILE  16          HG11      ILE  16  42.573   9.390  -4.131
  125   HG21  ILE  16          HG21      ILE  16  38.909   9.536  -3.547
  126   HG22  ILE  16          HG22      ILE  16  39.003   9.921  -1.813
  127   HG23  ILE  16          HG23      ILE  16  39.454   8.303  -2.391
  128   HD11  ILE  16           HD1      ILE  16  42.850   7.100  -3.651
  129   HD12  ILE  16           HD2      ILE  16  41.176   6.905  -3.099
  130   HD13  ILE  16           HD3      ILE  16  42.356   7.756  -2.076
  131    H    HIS  17           HN       HIS  17  41.079  11.275  -0.782
  132    HA   HIS  17           HA       HIS  17  39.694  13.903  -0.533
  133    HB2  HIS  17           HB2      HIS  17  37.892  12.115  -0.579
  134    HB3  HIS  17           HB1      HIS  17  38.610  11.455   0.907
  135    HD1  HIS  17           HD1      HIS  17  38.349  12.792   3.105
  136    HD2  HIS  17           HD2      HIS  17  36.623  14.667  -0.243
  137    HE1  HIS  17           HE1      HIS  17  36.907  14.715   3.968
  138    H    GLY  18           HN       GLY  18  42.259  12.110   0.174
  139    HA2  GLY  18           HA1      GLY  18  43.818  12.181   1.885
  140    HA3  GLY  18           HA2      GLY  18  43.016  13.672   2.436
  141    H    MET  19           HN       MET  19  42.081  10.263   2.138
  142    HA   MET  19           HA       MET  19  41.965   9.717   4.975
  143    HB2  MET  19           HB2      MET  19  40.235  11.229   5.003
  144    HB3  MET  19           HB1      MET  19  39.531  10.571   3.534
  145    HG2  MET  19           HG2      MET  19  38.817   8.562   4.655
  146    HG3  MET  19           HG1      MET  19  39.803   8.944   6.085
  147    HE1  MET  19           HE1      MET  19  36.219   9.053   4.655
  148    HE2  MET  19           HE2      MET  19  37.175  10.206   3.695
  149    HE3  MET  19           HE3      MET  19  35.840  10.792   4.717
  150    H    ILE  20           HN       ILE  20  40.606   9.158   1.709
  151    HA   ILE  20           HA       ILE  20  40.330   6.262   2.226
  152    HB   ILE  20           HB       ILE  20  40.531   7.930  -0.338
  153   HG12  ILE  20          HG12      ILE  20  38.205   7.293  -0.646
  154   HG13  ILE  20          HG11      ILE  20  38.285   6.149   0.711
  155   HG21  ILE  20          HG21      ILE  20  40.418   4.909   0.045
  156   HG22  ILE  20          HG22      ILE  20  41.611   5.848  -0.883
  157   HG23  ILE  20          HG23      ILE  20  39.940   5.701  -1.476
  158   HD11  ILE  20           HD1      ILE  20  38.822   9.116   1.095
  159   HD12  ILE  20           HD2      ILE  20  38.409   7.897   2.325
  160   HD13  ILE  20           HD3      ILE  20  37.176   8.444   1.163
  161    H    GLN  21           HN       GLN  21  42.566   8.658   2.060
  162    HA   GLN  21           HA       GLN  21  44.890   6.846   1.658
  163    HB2  GLN  21           HB2      GLN  21  44.430   8.792  -0.051
  164    HB3  GLN  21           HB1      GLN  21  44.954   9.861   1.268
  165    HG2  GLN  21           HG2      GLN  21  46.590   7.521   0.176
  166    HG3  GLN  21           HG1      GLN  21  46.822   9.223  -0.280
  167   HE21  GLN  21          HE21      GLN  21  47.003  10.753   1.814
  168   HE22  GLN  21          HE22      GLN  21  48.081  10.125   3.065
  169    H    ASN  22           HN       ASN  22  43.168   9.424   3.744
  170    HA   ASN  22           HA       ASN  22  45.611   9.122   5.592
  171    HB2  ASN  22           HB2      ASN  22  43.445  11.210   5.925
  172    HB3  ASN  22           HB1      ASN  22  45.107  11.207   6.543
  173   HD21  ASN  22          HD21      ASN  22  44.286  13.459   5.104
  174   HD22  ASN  22          HD22      ASN  22  45.069  13.456   3.521
  175    H    HIS  23           HN       HIS  23  43.079   7.375   5.118
  176    HA   HIS  23           HA       HIS  23  41.501   6.266   6.440
  177    HB2  HIS  23           HB2      HIS  23  42.502   5.192   8.402
  178    HB3  HIS  23           HB1      HIS  23  43.660   5.210   7.050
  179    HD1  HIS  23           HD1      HIS  23  42.815   7.172  10.238
  180    HD2  HIS  23           HD2      HIS  23  46.028   6.592   7.587
  181    HE1  HIS  23           HE1      HIS  23  44.865   8.297  11.266
  182    H    HIS  24           HN       HIS  24  41.090   6.073   9.173
  183    HA   HIS  24           HA       HIS  24  39.422   8.356   9.644
  184    HB2  HIS  24           HB2      HIS  24  40.482   6.227  11.545
  185    HB3  HIS  24           HB1      HIS  24  39.207   7.403  11.951
  186    HD1  HIS  24           HD1      HIS  24  37.494   7.449   9.452
  187    HD2  HIS  24           HD2      HIS  24  39.027   3.904  11.113
  188    HE1  HIS  24           HE1      HIS  24  36.047   5.522   8.603
  Start of MODEL   40
    1    H1   PHE   1           HT1      PHE   1  60.998  10.960 -12.401
    2    H2   PHE   1           HT2      PHE   1  61.061  12.548 -11.800
    3    H3   PHE   1           HT3      PHE   1  60.349  12.235 -13.310
    4    HA   PHE   1           HA       PHE   1  59.108  12.391 -10.883
    5    HB2  PHE   1           HB2      PHE   1  58.205  11.261 -13.561
    6    HB3  PHE   1           HB1      PHE   1  57.116  11.705 -12.225
    7    HD1  PHE   1           HD1      PHE   1  56.875  14.070 -11.518
    8    HD2  PHE   1           HD2      PHE   1  59.329  12.962 -14.893
    9    HE1  PHE   1           HE1      PHE   1  56.920  16.446 -12.266
   10    HE2  PHE   1           HE2      PHE   1  59.372  15.339 -15.641
   11    HZ   PHE   1           HZ       PHE   1  58.210  17.088 -14.299
   12    H    LEU   2           HN       LEU   2  58.980  11.013  -9.246
   13    HA   LEU   2           HA       LEU   2  59.646   8.205  -9.552
   14    HB2  LEU   2           HB2      LEU   2  58.163   9.422  -7.198
   15    HB3  LEU   2           HB1      LEU   2  59.281   8.039  -7.210
   16    HG   LEU   2           HG       LEU   2  60.001  10.958  -7.733
   17   HD11  LEU   2          HD11      LEU   2  59.567  10.340  -5.352
   18   HD12  LEU   2          HD12      LEU   2  61.276  10.743  -5.642
   19   HD13  LEU   2          HD13      LEU   2  60.776   9.041  -5.488
   20   HD21  LEU   2          HD21      LEU   2  61.447   9.662  -9.131
   21   HD22  LEU   2          HD22      LEU   2  61.602   8.371  -7.914
   22   HD23  LEU   2          HD23      LEU   2  62.386   9.947  -7.649
   23    H    GLY   3           HN       GLY   3  57.665   7.108  -7.763
   24    HA2  GLY   3           HA1      GLY   3  55.013   7.434  -8.745
   25    HA3  GLY   3           HA2      GLY   3  55.795   6.147  -9.682
   26    H    ALA   4           HN       ALA   4  57.408   5.967  -6.899
   27    HA   ALA   4           HA       ALA   4  55.962   3.616  -6.017
   28    HB1  ALA   4           HB1      ALA   4  57.608   3.661  -4.134
   29    HB2  ALA   4           HB2      ALA   4  58.206   5.220  -4.749
   30    HB3  ALA   4           HB3      ALA   4  58.363   3.752  -5.742
   31    H    LEU   5           HN       LEU   5  55.940   3.643  -3.308
   32    HA   LEU   5           HA       LEU   5  53.538   5.227  -2.773
   33    HB2  LEU   5           HB2      LEU   5  55.173   3.676  -0.735
   34    HB3  LEU   5           HB1      LEU   5  53.432   4.040  -0.713
   35    HG   LEU   5           HG       LEU   5  54.855   2.223  -2.711
   36   HD11  LEU   5          HD11      LEU   5  52.913   1.632  -0.433
   37   HD12  LEU   5          HD12      LEU   5  54.650   1.247  -0.452
   38   HD13  LEU   5          HD13      LEU   5  53.546   0.436  -1.588
   39   HD21  LEU   5          HD21      LEU   5  53.009   3.213  -3.869
   40   HD22  LEU   5          HD22      LEU   5  51.969   3.159  -2.425
   41   HD23  LEU   5          HD23      LEU   5  52.389   1.655  -3.279
   42    H    ILE   6           HN       ILE   6  54.983   7.235  -3.358
   43    HA   ILE   6           HA       ILE   6  55.532   8.553  -0.741
   44    HB   ILE   6           HB       ILE   6  57.729   7.394  -1.680
   45   HG12  ILE   6          HG12      ILE   6  59.000   9.714  -1.125
   46   HG13  ILE   6          HG11      ILE   6  57.368  10.220  -0.640
   47   HG21  ILE   6          HG21      ILE   6  58.796   8.221  -3.553
   48   HG22  ILE   6          HG22      ILE   6  58.181   9.870  -3.335
   49   HG23  ILE   6          HG23      ILE   6  57.135   8.618  -4.042
   50   HD11  ILE   6           HD1      ILE   6  58.319   9.327   1.342
   51   HD12  ILE   6           HD2      ILE   6  59.057   7.958   0.476
   52   HD13  ILE   6           HD3      ILE   6  57.296   8.009   0.726
   53    H    LYS   7           HN       LYS   7  57.030  10.731  -2.282
   54    HA   LYS   7           HA       LYS   7  56.229  12.810  -2.965
   55    HB2  LYS   7           HB2      LYS   7  54.232  11.159  -4.610
   56    HB3  LYS   7           HB1      LYS   7  54.537  12.903  -4.800
   57    HG2  LYS   7           HG2      LYS   7  56.823  12.500  -5.501
   58    HG3  LYS   7           HG1      LYS   7  56.691  10.772  -5.103
   59    HD2  LYS   7           HD2      LYS   7  56.443  11.030  -7.516
   60    HD3  LYS   7           HD1      LYS   7  54.874  10.557  -6.827
   61    HE2  LYS   7           HE2      LYS   7  53.970  12.734  -7.079
   62    HE3  LYS   7           HE1      LYS   7  55.576  13.487  -7.239
   63    HZ1  LYS   7           HZ1      LYS   7  54.763  13.395  -9.399
   64    HZ2  LYS   7           HZ2      LYS   7  54.092  11.846  -9.206
   65    HZ3  LYS   7           HZ3      LYS   7  55.777  12.037  -9.317
   66    H    GLY   8           HN       GLY   8  55.564  11.124  -0.956
   67    HA2  GLY   8           HA1      GLY   8  54.163  10.488   0.642
   68    HA3  GLY   8           HA2      GLY   8  53.985  12.271   0.868
   69    H    ALA   9           HN       ALA   9  52.603   9.317  -0.276
   70    HA   ALA   9           HA       ALA   9  50.558   8.773  -1.212
   71    HB1  ALA   9           HB1      ALA   9  48.683   9.465   0.245
   72    HB2  ALA   9           HB2      ALA   9  49.747  10.658   1.027
   73    HB3  ALA   9           HB3      ALA   9  50.092   8.918   1.184
   74    H    ILE  10           HN       ILE  10  51.697  10.641  -2.831
   75    HA   ILE  10           HA       ILE  10  51.316  12.532  -4.152
   76    HB   ILE  10           HB       ILE  10  49.026  12.248  -5.445
   77   HG12  ILE  10          HG12      ILE  10  48.200  10.605  -3.546
   78   HG13  ILE  10          HG11      ILE  10  47.837  10.237  -5.232
   79   HG21  ILE  10          HG21      ILE  10  51.122  11.739  -6.483
   80   HG22  ILE  10          HG22      ILE  10  50.046  10.354  -6.775
   81   HG23  ILE  10          HG23      ILE  10  51.319  10.250  -5.534
   82   HD11  ILE  10           HD1      ILE  10  48.680   8.279  -3.824
   83   HD12  ILE  10           HD2      ILE  10  50.266   9.071  -3.803
   84   HD13  ILE  10           HD3      ILE  10  49.551   8.560  -5.345
   85    H    HIS  11           HN       HIS  11  47.847  12.254  -3.607
   86    HA   HIS  11           HA       HIS  11  47.463  14.995  -3.175
   87    HB2  HIS  11           HB2      HIS  11  45.808  12.776  -1.919
   88    HB3  HIS  11           HB1      HIS  11  45.272  14.418  -2.350
   89    HD1  HIS  11           HD1      HIS  11  44.759  11.199  -3.549
   90    HD2  HIS  11           HD2      HIS  11  46.284  14.637  -5.425
   91    HE1  HIS  11           HE1      HIS  11  44.415  10.910  -6.064
   92    H    GLY  12           HN       GLY  12  49.160  12.842  -1.149
   93    HA2  GLY  12           HA1      GLY  12  48.315  13.837   1.420
   94    HA3  GLY  12           HA2      GLY  12  49.863  13.050   1.058
   95    H    GLY  13           HN       GLY  13  49.557  15.500  -1.110
   96    HA2  GLY  13           HA1      GLY  13  50.330  17.751   0.590
   97    HA3  GLY  13           HA2      GLY  13  51.682  17.048  -0.322
   98    H    ARG  14           HN       ARG  14  49.750  16.225  -2.501
   99    HA   ARG  14           HA       ARG  14  50.008  18.695  -4.051
  100    HB2  ARG  14           HB2      ARG  14  50.107  16.082  -4.727
  101    HB3  ARG  14           HB1      ARG  14  48.380  16.347  -5.041
  102    HG2  ARG  14           HG2      ARG  14  50.699  17.947  -6.230
  103    HG3  ARG  14           HG1      ARG  14  49.712  16.739  -7.083
  104    HD2  ARG  14           HD2      ARG  14  47.683  18.271  -6.333
  105    HD3  ARG  14           HD1      ARG  14  48.946  19.516  -6.161
  106    HE   ARG  14           HE       ARG  14  49.386  18.406  -8.682
  107   HH11  ARG  14          HH11      ARG  14  46.399  17.979  -8.663
  108   HH12  ARG  14          HH12      ARG  14  45.827  19.467  -9.344
  109   HH21  ARG  14          HH21      ARG  14  48.816  21.152  -8.846
  110   HH22  ARG  14          HH22      ARG  14  47.195  21.262  -9.447
  111    H    PHE  15           HN       PHE  15  47.481  16.987  -2.289
  112    HA   PHE  15           HA       PHE  15  45.117  17.917  -3.344
  113    HB2  PHE  15           HB2      PHE  15  45.360  16.536  -1.275
  114    HB3  PHE  15           HB1      PHE  15  45.798  18.013  -0.381
  115    HD1  PHE  15           HD1      PHE  15  44.132  19.688   0.180
  116    HD2  PHE  15           HD2      PHE  15  43.085  16.280  -2.253
  117    HE1  PHE  15           HE1      PHE  15  41.716  20.229   0.461
  118    HE2  PHE  15           HE2      PHE  15  40.669  16.822  -1.973
  119    HZ   PHE  15           HZ       PHE  15  39.991  18.845  -0.685
  120    H    ILE  16           HN       ILE  16  46.935  19.757  -0.827
  121    HA   ILE  16           HA       ILE  16  45.325  22.105  -1.118
  122    HB   ILE  16           HB       ILE  16  48.236  22.072  -0.214
  123   HG12  ILE  16          HG12      ILE  16  45.690  21.337   1.302
  124   HG13  ILE  16          HG11      ILE  16  47.059  20.260   0.939
  125   HG21  ILE  16          HG21      ILE  16  47.621  24.008   1.063
  126   HG22  ILE  16          HG22      ILE  16  45.885  23.739   0.773
  127   HG23  ILE  16          HG23      ILE  16  46.941  24.268  -0.559
  128   HD11  ILE  16           HD1      ILE  16  47.445  20.935   3.180
  129   HD12  ILE  16           HD2      ILE  16  46.960  22.615   2.852
  130   HD13  ILE  16           HD3      ILE  16  48.512  21.998   2.231
  131    H    HIS  17           HN       HIS  17  48.833  22.137  -1.879
  132    HA   HIS  17           HA       HIS  17  48.435  22.799  -4.668
  133    HB2  HIS  17           HB2      HIS  17  47.565  24.896  -3.501
  134    HB3  HIS  17           HB1      HIS  17  49.221  25.152  -2.907
  135    HD1  HIS  17           HD1      HIS  17  50.394  23.868  -5.737
  136    HD2  HIS  17           HD2      HIS  17  47.927  27.231  -5.194
  137    HE1  HIS  17           HE1      HIS  17  50.653  25.346  -7.806
  138    H    GLY  18           HN       GLY  18  50.003  20.963  -3.409
  139    HA2  GLY  18           HA1      GLY  18  52.287  20.446  -4.250
  140    HA3  GLY  18           HA2      GLY  18  52.781  22.077  -3.740
  141    H    MET  19           HN       MET  19  51.325  22.207  -1.408
  142    HA   MET  19           HA       MET  19  51.103  20.620   0.540
  143    HB2  MET  19           HB2      MET  19  52.874  19.087   0.279
  144    HB3  MET  19           HB1      MET  19  54.065  20.371   0.065
  145    HG2  MET  19           HG2      MET  19  53.940  20.984   2.402
  146    HG3  MET  19           HG1      MET  19  52.511  19.952   2.644
  147    HE1  MET  19           HE1      MET  19  53.709  19.303   4.646
  148    HE2  MET  19           HE2      MET  19  54.720  17.842   4.736
  149    HE3  MET  19           HE3      MET  19  53.049  17.731   4.134
  150    H    ILE  20           HN       ILE  20  50.036  22.349   1.189
  151    HA   ILE  20           HA       ILE  20  49.734  24.329   2.363
  152    HB   ILE  20           HB       ILE  20  52.633  24.196   3.321
  153   HG12  ILE  20          HG12      ILE  20  50.237  22.605   4.354
  154   HG13  ILE  20          HG11      ILE  20  51.727  21.939   3.651
  155   HG21  ILE  20          HG21      ILE  20  50.125  25.004   4.853
  156   HG22  ILE  20          HG22      ILE  20  50.998  26.158   3.822
  157   HG23  ILE  20          HG23      ILE  20  51.820  25.412   5.208
  158   HD11  ILE  20           HD1      ILE  20  52.972  23.199   5.549
  159   HD12  ILE  20           HD2      ILE  20  52.046  21.748   5.999
  160   HD13  ILE  20           HD3      ILE  20  51.370  23.364   6.308
  161    H    GLN  21           HN       GLN  21  50.972  23.823  -0.259
  162    HA   GLN  21           HA       GLN  21  51.427  25.298  -2.054
  163    HB2  GLN  21           HB2      GLN  21  50.834  27.281  -0.385
  164    HB3  GLN  21           HB1      GLN  21  52.598  27.407  -0.192
  165    HG2  GLN  21           HG2      GLN  21  52.017  28.910  -1.967
  166    HG3  GLN  21           HG1      GLN  21  52.750  27.487  -2.745
  167   HE21  GLN  21          HE21      GLN  21  49.415  28.302  -1.515
  168   HE22  GLN  21          HE22      GLN  21  48.606  27.791  -3.000
  169    H    ASN  22           HN       ASN  22  52.787  23.303  -0.595
  170    HA   ASN  22           HA       ASN  22  54.850  22.381  -0.227
  171    HB2  ASN  22           HB2      ASN  22  54.764  22.060  -2.550
  172    HB3  ASN  22           HB1      ASN  22  55.218  23.756  -2.891
  173   HD21  ASN  22          HD21      ASN  22  57.440  24.221  -3.106
  174   HD22  ASN  22          HD22      ASN  22  58.722  23.074  -2.705
  175    H    HIS  23           HN       HIS  23  54.656  24.002   1.540
  176    HA   HIS  23           HA       HIS  23  56.291  26.335   1.595
  177    HB2  HIS  23           HB2      HIS  23  56.220  26.145   4.011
  178    HB3  HIS  23           HB1      HIS  23  54.647  25.630   3.359
  179    HD1  HIS  23           HD1      HIS  23  54.953  22.772   2.628
  180    HD2  HIS  23           HD2      HIS  23  56.838  24.379   6.028
  181    HE1  HIS  23           HE1      HIS  23  55.478  20.827   4.200
  182    H    HIS  24           HN       HIS  24  58.334  26.654   2.823
  183    HA   HIS  24           HA       HIS  24  60.443  25.153   1.653
  184    HB2  HIS  24           HB2      HIS  24  60.631  27.454   2.649
  185    HB3  HIS  24           HB1      HIS  24  60.549  26.712   4.265
  186    HD1  HIS  24           HD1      HIS  24  62.384  24.504   4.416
  187    HD2  HIS  24           HD2      HIS  24  63.247  27.702   1.826
  188    HE1  HIS  24           HE1      HIS  24  64.898  24.462   3.967
  Start of MODEL   41
    1    H1   PHE   1           HT1      PHE   1  62.711   5.295  -8.240
    2    H2   PHE   1           HT2      PHE   1  62.027   6.828  -8.499
    3    H3   PHE   1           HT3      PHE   1  63.461   6.386  -9.299
    4    HA   PHE   1           HA       PHE   1  61.817   6.197 -10.890
    5    HB2  PHE   1           HB2      PHE   1  62.155   3.417  -9.702
    6    HB3  PHE   1           HB1      PHE   1  61.839   3.833 -11.404
    7    HD1  PHE   1           HD1      PHE   1  64.353   3.931  -8.664
    8    HD2  PHE   1           HD2      PHE   1  63.606   4.674 -12.849
    9    HE1  PHE   1           HE1      PHE   1  66.803   4.151  -9.062
   10    HE2  PHE   1           HE2      PHE   1  66.056   4.894 -13.248
   11    HZ   PHE   1           HZ       PHE   1  67.646   4.710 -11.339
   12    H    LEU   2           HN       LEU   2  60.862   5.098  -7.699
   13    HA   LEU   2           HA       LEU   2  58.194   4.242  -8.469
   14    HB2  LEU   2           HB2      LEU   2  59.017   5.226  -5.717
   15    HB3  LEU   2           HB1      LEU   2  57.786   4.014  -6.140
   16    HG   LEU   2           HG       LEU   2  60.804   3.732  -6.483
   17   HD11  LEU   2          HD11      LEU   2  60.624   2.043  -4.750
   18   HD12  LEU   2          HD12      LEU   2  58.848   2.166  -4.746
   19   HD13  LEU   2          HD13      LEU   2  59.837   3.522  -4.151
   20   HD21  LEU   2          HD21      LEU   2  60.093   1.310  -7.069
   21   HD22  LEU   2          HD22      LEU   2  59.823   2.548  -8.315
   22   HD23  LEU   2          HD23      LEU   2  58.460   1.975  -7.322
   23    H    GLY   3           HN       GLY   3  56.617   5.554  -6.530
   24    HA2  GLY   3           HA1      GLY   3  56.662   8.357  -6.562
   25    HA3  GLY   3           HA2      GLY   3  55.832   7.874  -8.054
   26    H    ALA   4           HN       ALA   4  54.834   5.375  -6.721
   27    HA   ALA   4           HA       ALA   4  52.288   6.387  -5.910
   28    HB1  ALA   4           HB1      ALA   4  52.598   4.117  -6.761
   29    HB2  ALA   4           HB2      ALA   4  51.873   4.069  -5.136
   30    HB3  ALA   4           HB3      ALA   4  53.602   3.705  -5.350
   31    H    LEU   5           HN       LEU   5  54.928   4.928  -3.949
   32    HA   LEU   5           HA       LEU   5  53.619   5.623  -1.446
   33    HB2  LEU   5           HB2      LEU   5  56.575   5.018  -1.789
   34    HB3  LEU   5           HB1      LEU   5  55.526   4.684  -0.390
   35    HG   LEU   5           HG       LEU   5  55.384   3.351  -3.131
   36   HD11  LEU   5          HD11      LEU   5  56.059   1.342  -1.918
   37   HD12  LEU   5          HD12      LEU   5  56.010   2.218  -0.368
   38   HD13  LEU   5          HD13      LEU   5  57.237   2.634  -1.589
   39   HD21  LEU   5          HD21      LEU   5  53.592   3.189  -0.672
   40   HD22  LEU   5          HD22      LEU   5  53.661   1.882  -1.879
   41   HD23  LEU   5          HD23      LEU   5  53.122   3.508  -2.358
   42    H    ILE   6           HN       ILE   6  55.967   7.152  -3.589
   43    HA   ILE   6           HA       ILE   6  56.511   9.308  -1.559
   44    HB   ILE   6           HB       ILE   6  57.515   9.578  -4.418
   45   HG12  ILE   6          HG12      ILE   6  57.730   7.112  -4.024
   46   HG13  ILE   6          HG11      ILE   6  59.294   7.934  -4.163
   47   HG21  ILE   6          HG21      ILE   6  58.244  11.173  -2.723
   48   HG22  ILE   6          HG22      ILE   6  59.629  10.157  -3.181
   49   HG23  ILE   6          HG23      ILE   6  58.777   9.861  -1.649
   50   HD11  ILE   6           HD1      ILE   6  58.053   7.506  -1.423
   51   HD12  ILE   6           HD2      ILE   6  59.762   7.735  -1.859
   52   HD13  ILE   6           HD3      ILE   6  58.950   6.196  -2.223
   53    H    LYS   7           HN       LYS   7  56.844  11.303  -3.789
   54    HA   LYS   7           HA       LYS   7  55.526  13.149  -4.269
   55    HB2  LYS   7           HB2      LYS   7  53.206  11.197  -4.642
   56    HB3  LYS   7           HB1      LYS   7  53.341  12.832  -5.331
   57    HG2  LYS   7           HG2      LYS   7  55.216  10.513  -5.983
   58    HG3  LYS   7           HG1      LYS   7  53.836  11.009  -6.992
   59    HD2  LYS   7           HD2      LYS   7  54.921  13.368  -7.005
   60    HD3  LYS   7           HD1      LYS   7  56.378  12.564  -6.375
   61    HE2  LYS   7           HE2      LYS   7  56.313  10.998  -8.332
   62    HE3  LYS   7           HE1      LYS   7  54.937  11.921  -8.983
   63    HZ1  LYS   7           HZ1      LYS   7  57.596  13.095  -8.338
   64    HZ2  LYS   7           HZ2      LYS   7  56.296  13.873  -9.105
   65    HZ3  LYS   7           HZ3      LYS   7  57.117  12.609  -9.890
   66    H    GLY   8           HN       GLY   8  55.950  11.670  -2.040
   67    HA2  GLY   8           HA1      GLY   8  55.594  11.304   0.087
   68    HA3  GLY   8           HA2      GLY   8  55.036  13.023   0.140
   69    H    ALA   9           HN       ALA   9  53.928   9.766  -0.771
   70    HA   ALA   9           HA       ALA   9  51.993   8.634  -0.261
   71    HB1  ALA   9           HB1      ALA   9  50.808   9.113   1.712
   72    HB2  ALA   9           HB2      ALA   9  51.123  10.860   1.604
   73    HB3  ALA   9           HB3      ALA   9  52.434   9.745   2.054
   74    H    ILE  10           HN       ILE  10  51.602   9.244  -2.513
   75    HA   ILE  10           HA       ILE  10  50.067   9.915  -4.135
   76    HB   ILE  10           HB       ILE  10  48.253  11.013  -1.931
   77   HG12  ILE  10          HG12      ILE  10  48.723   8.132  -2.782
   78   HG13  ILE  10          HG11      ILE  10  48.798   8.825  -1.148
   79   HG21  ILE  10          HG21      ILE  10  47.837  11.338  -4.466
   80   HG22  ILE  10          HG22      ILE  10  46.512  10.673  -3.493
   81   HG23  ILE  10          HG23      ILE  10  47.500   9.595  -4.506
   82   HD11  ILE  10           HD1      ILE  10  46.697   7.696  -1.242
   83   HD12  ILE  10           HD2      ILE  10  46.334   8.346  -2.858
   84   HD13  ILE  10           HD3      ILE  10  46.312   9.423  -1.441
   85    H    HIS  11           HN       HIS  11  48.286  12.392  -3.059
   86    HA   HIS  11           HA       HIS  11  50.239  14.420  -4.038
   87    HB2  HIS  11           HB2      HIS  11  47.323  14.765  -3.201
   88    HB3  HIS  11           HB1      HIS  11  48.322  15.904  -4.136
   89    HD1  HIS  11           HD1      HIS  11  45.593  14.004  -4.865
   90    HD2  HIS  11           HD2      HIS  11  49.481  13.946  -6.466
   91    HE1  HIS  11           HE1      HIS  11  45.460  12.871  -7.152
   92    H    GLY  12           HN       GLY  12  49.932  12.701  -1.426
   93    HA2  GLY  12           HA1      GLY  12  50.519  13.085   0.789
   94    HA3  GLY  12           HA2      GLY  12  51.012  14.729   0.342
   95    H    GLY  13           HN       GLY  13  48.069  12.741   0.830
   96    HA2  GLY  13           HA1      GLY  13  46.176  13.202   2.080
   97    HA3  GLY  13           HA2      GLY  13  47.044  14.562   2.814
   98    H    ARG  14           HN       ARG  14  47.516  15.487  -0.139
   99    HA   ARG  14           HA       ARG  14  45.286  17.331  -0.114
  100    HB2  ARG  14           HB2      ARG  14  47.815  17.320  -1.228
  101    HB3  ARG  14           HB1      ARG  14  46.824  17.027  -2.669
  102    HG2  ARG  14           HG2      ARG  14  46.429  19.324  -0.687
  103    HG3  ARG  14           HG1      ARG  14  47.222  19.459  -2.271
  104    HD2  ARG  14           HD2      ARG  14  44.309  18.770  -1.709
  105    HD3  ARG  14           HD1      ARG  14  44.948  20.188  -2.571
  106    HE   ARG  14           HE       ARG  14  45.855  17.902  -3.973
  107   HH11  ARG  14          HH11      ARG  14  43.560  20.283  -4.121
  108   HH12  ARG  14          HH12      ARG  14  42.411  19.392  -5.065
  109   HH21  ARG  14          HH21      ARG  14  44.094  16.377  -4.752
  110   HH22  ARG  14          HH22      ARG  14  42.713  17.182  -5.421
  111    H    PHE  15           HN       PHE  15  45.351  14.125  -0.839
  112    HA   PHE  15           HA       PHE  15  44.002  13.893  -3.325
  113    HB2  PHE  15           HB2      PHE  15  44.906  11.985  -1.994
  114    HB3  PHE  15           HB1      PHE  15  43.578  12.199  -0.828
  115    HD1  PHE  15           HD1      PHE  15  44.164  11.813  -4.537
  116    HD2  PHE  15           HD2      PHE  15  41.569  10.994  -1.183
  117    HE1  PHE  15           HE1      PHE  15  42.679  10.462  -6.012
  118    HE2  PHE  15           HE2      PHE  15  40.087   9.645  -2.660
  119    HZ   PHE  15           HZ       PHE  15  40.679   9.323  -5.059
  120    H    ILE  16           HN       ILE  16  42.989  15.274  -0.352
  121    HA   ILE  16           HA       ILE  16  40.274  15.723  -1.490
  122    HB   ILE  16           HB       ILE  16  40.417  14.910   1.437
  123   HG12  ILE  16          HG12      ILE  16  40.302  12.997  -0.942
  124   HG13  ILE  16          HG11      ILE  16  41.584  13.075   0.289
  125   HG21  ILE  16          HG21      ILE  16  38.271  14.328  -0.641
  126   HG22  ILE  16          HG22      ILE  16  38.368  15.899   0.184
  127   HG23  ILE  16          HG23      ILE  16  38.108  14.415   1.129
  128   HD11  ILE  16           HD1      ILE  16  38.699  12.189   0.637
  129   HD12  ILE  16           HD2      ILE  16  39.733  12.622   2.019
  130   HD13  ILE  16           HD3      ILE  16  40.185  11.268   0.960
  131    H    HIS  17           HN       HIS  17  41.603  16.212   1.841
  132    HA   HIS  17           HA       HIS  17  42.234  19.018   1.226
  133    HB2  HIS  17           HB2      HIS  17  40.473  19.456   3.409
  134    HB3  HIS  17           HB1      HIS  17  40.217  19.957   1.728
  135    HD1  HIS  17           HD1      HIS  17  39.818  16.645   3.675
  136    HD2  HIS  17           HD2      HIS  17  37.821  19.016   0.835
  137    HE1  HIS  17           HE1      HIS  17  37.556  15.545   3.211
  138    H    GLY  18           HN       GLY  18  43.327  16.479   2.304
  139    HA2  GLY  18           HA1      GLY  18  45.374  17.010   3.829
  140    HA3  GLY  18           HA2      GLY  18  44.125  17.308   5.064
  141    H    MET  19           HN       MET  19  42.284  15.543   4.614
  142    HA   MET  19           HA       MET  19  42.755  12.976   3.943
  143    HB2  MET  19           HB2      MET  19  44.386  13.501   6.289
  144    HB3  MET  19           HB1      MET  19  43.117  12.346   6.729
  145    HG2  MET  19           HG2      MET  19  43.779  10.909   4.808
  146    HG3  MET  19           HG1      MET  19  45.066  12.067   4.396
  147    HE1  MET  19           HE1      MET  19  46.705   8.788   5.962
  148    HE2  MET  19           HE2      MET  19  46.533   9.781   4.493
  149    HE3  MET  19           HE3      MET  19  45.136   8.874   5.124
  150    H    ILE  20           HN       ILE  20  40.661  13.446   3.382
  151    HA   ILE  20           HA       ILE  20  38.359  13.390   3.761
  152    HB   ILE  20           HB       ILE  20  38.840  12.349   6.591
  153   HG12  ILE  20          HG12      ILE  20  38.950  10.774   3.973
  154   HG13  ILE  20          HG11      ILE  20  40.281  10.985   5.132
  155   HG21  ILE  20          HG21      ILE  20  36.507  12.961   5.617
  156   HG22  ILE  20          HG22      ILE  20  36.688  11.352   6.345
  157   HG23  ILE  20          HG23      ILE  20  36.706  11.535   4.575
  158   HD11  ILE  20           HD1      ILE  20  37.714   9.405   5.478
  159   HD12  ILE  20           HD2      ILE  20  38.691   9.911   6.878
  160   HD13  ILE  20           HD3      ILE  20  39.393   8.842   5.641
  161    H    GLN  21           HN       GLN  21  40.482  15.281   4.617
  162    HA   GLN  21           HA       GLN  21  40.248  17.581   5.195
  163    HB2  GLN  21           HB2      GLN  21  37.647  17.164   5.465
  164    HB3  GLN  21           HB1      GLN  21  38.030  16.958   7.190
  165    HG2  GLN  21           HG2      GLN  21  39.223  19.197   7.103
  166    HG3  GLN  21           HG1      GLN  21  38.576  19.406   5.458
  167   HE21  GLN  21          HE21      GLN  21  36.036  18.938   5.354
  168   HE22  GLN  21          HE22      GLN  21  35.106  19.662   6.671
  169    H    ASN  22           HN       ASN  22  41.634  15.269   6.068
  170    HA   ASN  22           HA       ASN  22  42.931  14.453   7.780
  171    HB2  ASN  22           HB2      ASN  22  44.151  16.446   7.264
  172    HB3  ASN  22           HB1      ASN  22  43.092  17.433   8.313
  173   HD21  ASN  22          HD21      ASN  22  44.723  14.211   8.794
  174   HD22  ASN  22          HD22      ASN  22  45.521  14.688  10.297
  175    H    HIS  23           HN       HIS  23  40.444  13.942   8.274
  176    HA   HIS  23           HA       HIS  23  39.238  14.970  10.617
  177    HB2  HIS  23           HB2      HIS  23  38.224  13.310   9.039
  178    HB3  HIS  23           HB1      HIS  23  39.275  12.055   9.740
  179    HD1  HIS  23           HD1      HIS  23  39.144  12.439  12.680
  180    HD2  HIS  23           HD2      HIS  23  35.767  13.103  10.264
  181    HE1  HIS  23           HE1      HIS  23  37.083  12.202  14.171
  182    H    HIS  24           HN       HIS  24  39.802  15.041  12.684
  183    HA   HIS  24           HA       HIS  24  41.034  14.646  14.613
  184    HB2  HIS  24           HB2      HIS  24  39.577  12.608  14.532
  185    HB3  HIS  24           HB1      HIS  24  40.887  11.750  13.687
  186    HD1  HIS  24           HD1      HIS  24  43.279  11.705  15.031
  187    HD2  HIS  24           HD2      HIS  24  39.865  12.650  17.297
  188    HE1  HIS  24           HE1      HIS  24  43.872  11.340  17.490
  Start of MODEL   42
    1    H1   PHE   1           HT1      PHE   1  60.357   5.813   8.439
    2    H2   PHE   1           HT2      PHE   1  58.901   6.520   7.918
    3    H3   PHE   1           HT3      PHE   1  60.350   6.835   7.086
    4    HA   PHE   1           HA       PHE   1  60.500   4.443   6.575
    5    HB2  PHE   1           HB2      PHE   1  57.594   4.480   7.472
    6    HB3  PHE   1           HB1      PHE   1  58.508   3.091   6.836
    7    HD1  PHE   1           HD1      PHE   1  60.239   1.984   8.189
    8    HD2  PHE   1           HD2      PHE   1  57.987   5.323   9.741
    9    HE1  PHE   1           HE1      PHE   1  61.036   1.453  10.489
   10    HE2  PHE   1           HE2      PHE   1  58.784   4.792  12.040
   11    HZ   PHE   1           HZ       PHE   1  60.375   2.907  12.400
   12    H    LEU   2           HN       LEU   2  57.267   5.994   6.307
   13    HA   LEU   2           HA       LEU   2  56.071   6.597   4.406
   14    HB2  LEU   2           HB2      LEU   2  58.877   7.589   3.800
   15    HB3  LEU   2           HB1      LEU   2  57.539   7.863   2.660
   16    HG   LEU   2           HG       LEU   2  56.244   9.003   4.425
   17   HD11  LEU   2          HD11      LEU   2  56.928   7.949   6.450
   18   HD12  LEU   2          HD12      LEU   2  57.580   9.598   6.569
   19   HD13  LEU   2          HD13      LEU   2  58.652   8.247   6.126
   20   HD21  LEU   2          HD21      LEU   2  57.681  11.009   4.629
   21   HD22  LEU   2          HD22      LEU   2  57.805  10.307   2.998
   22   HD23  LEU   2          HD23      LEU   2  59.106  10.042   4.184
   23    H    GLY   3           HN       GLY   3  56.504   3.931   4.429
   24    HA2  GLY   3           HA1      GLY   3  57.886   2.861   2.179
   25    HA3  GLY   3           HA2      GLY   3  56.550   2.079   3.047
   26    H    ALA   4           HN       ALA   4  55.153   4.853   2.266
   27    HA   ALA   4           HA       ALA   4  53.604   3.720   0.129
   28    HB1  ALA   4           HB1      ALA   4  53.876   6.665   0.805
   29    HB2  ALA   4           HB2      ALA   4  52.892   5.526   1.757
   30    HB3  ALA   4           HB3      ALA   4  52.491   5.838   0.051
   31    H    LEU   5           HN       LEU   5  53.239   5.235  -1.920
   32    HA   LEU   5           HA       LEU   5  55.750   5.031  -3.422
   33    HB2  LEU   5           HB2      LEU   5  52.905   5.856  -4.094
   34    HB3  LEU   5           HB1      LEU   5  54.224   6.032  -5.275
   35    HG   LEU   5           HG       LEU   5  54.710   3.639  -5.160
   36   HD11  LEU   5          HD11      LEU   5  54.288   3.041  -2.896
   37   HD12  LEU   5          HD12      LEU   5  53.024   2.191  -3.812
   38   HD13  LEU   5          HD13      LEU   5  52.632   3.692  -2.938
   39   HD21  LEU   5          HD21      LEU   5  52.845   4.520  -6.641
   40   HD22  LEU   5          HD22      LEU   5  51.693   4.025  -5.377
   41   HD23  LEU   5          HD23      LEU   5  52.687   2.802  -6.205
   42    H    ILE   6           HN       ILE   6  55.586   6.974  -1.170
   43    HA   ILE   6           HA       ILE   6  55.885   9.286  -0.730
   44    HB   ILE   6           HB       ILE   6  57.930  10.151  -1.841
   45   HG12  ILE   6          HG12      ILE   6  57.883   7.622  -3.560
   46   HG13  ILE   6          HG11      ILE   6  57.348   9.206  -4.156
   47   HG21  ILE   6          HG21      ILE   6  57.981   8.384  -0.010
   48   HG22  ILE   6          HG22      ILE   6  59.444   8.473  -1.016
   49   HG23  ILE   6          HG23      ILE   6  58.256   7.176  -1.285
   50   HD11  ILE   6           HD1      ILE   6  60.129   8.371  -3.266
   51   HD12  ILE   6           HD2      ILE   6  59.665  10.083  -3.404
   52   HD13  ILE   6           HD3      ILE   6  59.621   9.030  -4.836
   53    H    LYS   7           HN       LYS   7  57.015  11.106  -2.965
   54    HA   LYS   7           HA       LYS   7  55.944  12.888  -4.018
   55    HB2  LYS   7           HB2      LYS   7  55.292  10.987  -5.694
   56    HB3  LYS   7           HB1      LYS   7  53.729  10.953  -4.842
   57    HG2  LYS   7           HG2      LYS   7  53.364  13.329  -5.348
   58    HG3  LYS   7           HG1      LYS   7  54.962  13.430  -6.126
   59    HD2  LYS   7           HD2      LYS   7  54.181  11.590  -7.713
   60    HD3  LYS   7           HD1      LYS   7  52.548  11.812  -7.039
   61    HE2  LYS   7           HE2      LYS   7  52.638  14.224  -7.669
   62    HE3  LYS   7           HE1      LYS   7  54.240  13.957  -8.397
   63    HZ1  LYS   7           HZ1      LYS   7  53.163  12.233  -9.814
   64    HZ2  LYS   7           HZ2      LYS   7  52.618  13.815 -10.111
   65    HZ3  LYS   7           HZ3      LYS   7  51.656  12.734  -9.220
   66    H    GLY   8           HN       GLY   8  55.708  11.743  -1.578
   67    HA2  GLY   8           HA1      GLY   8  54.596  11.466   0.323
   68    HA3  GLY   8           HA2      GLY   8  54.282  13.234   0.127
   69    H    ALA   9           HN       ALA   9  53.017  10.076   0.248
   70    HA   ALA   9           HA       ALA   9  50.929   9.158  -0.069
   71    HB1  ALA   9           HB1      ALA   9  49.101  10.520   1.006
   72    HB2  ALA   9           HB2      ALA   9  50.276  11.846   1.181
   73    HB3  ALA   9           HB3      ALA   9  50.548  10.297   2.016
   74    H    ILE  10           HN       ILE  10  51.821   9.996  -2.452
   75    HA   ILE  10           HA       ILE  10  51.261  10.985  -4.492
   76    HB   ILE  10           HB       ILE  10  48.738  10.235  -5.108
   77   HG12  ILE  10          HG12      ILE  10  49.412   8.552  -2.642
   78   HG13  ILE  10          HG11      ILE  10  48.132   9.778  -2.724
   79   HG21  ILE  10          HG21      ILE  10  49.591   8.047  -5.741
   80   HG22  ILE  10          HG22      ILE  10  50.894   8.151  -4.532
   81   HG23  ILE  10          HG23      ILE  10  50.903   9.225  -5.952
   82   HD11  ILE  10           HD1      ILE  10  48.263   7.073  -4.075
   83   HD12  ILE  10           HD2      ILE  10  47.290   8.373  -4.807
   84   HD13  ILE  10           HD3      ILE  10  46.929   7.809  -3.159
   85    H    HIS  11           HN       HIS  11  47.885  11.253  -3.599
   86    HA   HIS  11           HA       HIS  11  47.558  13.854  -4.517
   87    HB2  HIS  11           HB2      HIS  11  45.537  13.957  -3.137
   88    HB3  HIS  11           HB1      HIS  11  45.706  12.345  -3.870
   89    HD1  HIS  11           HD1      HIS  11  46.061  10.337  -2.327
   90    HD2  HIS  11           HD2      HIS  11  46.257  14.016  -0.302
   91    HE1  HIS  11           HE1      HIS  11  46.051   9.829   0.177
   92    H    GLY  12           HN       GLY  12  49.399  12.880  -1.775
   93    HA2  GLY  12           HA1      GLY  12  48.998  15.410  -0.301
   94    HA3  GLY  12           HA2      GLY  12  50.134  14.108   0.098
   95    H    GLY  13           HN       GLY  13  50.141  15.047  -3.172
   96    HA2  GLY  13           HA1      GLY  13  52.004  17.260  -2.976
   97    HA3  GLY  13           HA2      GLY  13  52.827  15.728  -3.336
   98    H    ARG  14           HN       ARG  14  50.001  15.046  -4.598
   99    HA   ARG  14           HA       ARG  14  50.766  16.073  -7.310
  100    HB2  ARG  14           HB2      ARG  14  50.383  13.555  -6.652
  101    HB3  ARG  14           HB1      ARG  14  48.657  13.961  -6.736
  102    HG2  ARG  14           HG2      ARG  14  50.658  14.453  -8.997
  103    HG3  ARG  14           HG1      ARG  14  49.594  13.036  -8.887
  104    HD2  ARG  14           HD2      ARG  14  47.648  14.775  -8.700
  105    HD3  ARG  14           HD1      ARG  14  48.838  15.937  -9.331
  106    HE   ARG  14           HE       ARG  14  48.994  13.773 -11.075
  107   HH11  ARG  14          HH11      ARG  14  46.459  15.719  -9.786
  108   HH12  ARG  14          HH12      ARG  14  45.519  15.692 -11.241
  109   HH21  ARG  14          HH21      ARG  14  47.816  13.785 -13.005
  110   HH22  ARG  14          HH22      ARG  14  46.287  14.597 -13.064
  111    H    PHE  15           HN       PHE  15  47.782  15.434  -5.391
  112    HA   PHE  15           HA       PHE  15  46.032  16.946  -7.035
  113    HB2  PHE  15           HB2      PHE  15  45.229  15.381  -5.337
  114    HB3  PHE  15           HB1      PHE  15  45.914  16.391  -4.044
  115    HD1  PHE  15           HD1      PHE  15  43.672  16.771  -7.067
  116    HD2  PHE  15           HD2      PHE  15  44.423  17.865  -2.956
  117    HE1  PHE  15           HE1      PHE  15  41.578  18.121  -7.040
  118    HE2  PHE  15           HE2      PHE  15  42.330  19.212  -2.934
  119    HZ   PHE  15           HZ       PHE  15  40.934  19.381  -4.991
  120    H    ILE  16           HN       ILE  16  46.504  18.966  -7.660
  121    HA   ILE  16           HA       ILE  16  47.356  21.156  -7.485
  122    HB   ILE  16           HB       ILE  16  45.872  22.568  -5.995
  123   HG12  ILE  16          HG12      ILE  16  44.502  19.889  -5.455
  124   HG13  ILE  16          HG11      ILE  16  45.543  20.713  -4.276
  125   HG21  ILE  16          HG21      ILE  16  44.400  20.539  -7.737
  126   HG22  ILE  16          HG22      ILE  16  45.320  21.924  -8.372
  127   HG23  ILE  16          HG23      ILE  16  43.885  22.200  -7.364
  128   HD11  ILE  16           HD1      ILE  16  43.960  22.772  -4.655
  129   HD12  ILE  16           HD2      ILE  16  43.369  21.417  -3.666
  130   HD13  ILE  16           HD3      ILE  16  42.841  21.578  -5.355
  131    H    HIS  17           HN       HIS  17  49.277  19.869  -6.374
  132    HA   HIS  17           HA       HIS  17  50.062  21.588  -4.080
  133    HB2  HIS  17           HB2      HIS  17  49.060  19.499  -3.090
  134    HB3  HIS  17           HB1      HIS  17  50.287  18.555  -3.963
  135    HD1  HIS  17           HD1      HIS  17  52.894  19.462  -3.483
  136    HD2  HIS  17           HD2      HIS  17  49.943  20.281  -0.599
  137    HE1  HIS  17           HE1      HIS  17  54.098  20.032  -1.302
  138    H    GLY  18           HN       GLY  18  50.703  19.288  -6.665
  139    HA2  GLY  18           HA1      GLY  18  53.482  19.048  -6.626
  140    HA3  GLY  18           HA2      GLY  18  52.523  19.230  -8.118
  141    H    MET  19           HN       MET  19  51.461  21.741  -7.501
  142    HA   MET  19           HA       MET  19  52.795  23.906  -6.896
  143    HB2  MET  19           HB2      MET  19  54.316  22.708  -9.164
  144    HB3  MET  19           HB1      MET  19  54.108  24.463  -9.172
  145    HG2  MET  19           HG2      MET  19  55.530  24.798  -7.380
  146    HG3  MET  19           HG1      MET  19  55.039  23.307  -6.553
  147    HE1  MET  19           HE1      MET  19  57.670  23.222  -5.935
  148    HE2  MET  19           HE2      MET  19  57.945  24.648  -6.966
  149    HE3  MET  19           HE3      MET  19  58.961  23.200  -7.161
  150    H    ILE  20           HN       ILE  20  50.429  22.466  -8.056
  151    HA   ILE  20           HA       ILE  20  48.587  23.086  -9.307
  152    HB   ILE  20           HB       ILE  20  49.772  25.890  -8.936
  153   HG12  ILE  20          HG12      ILE  20  47.790  26.178  -7.485
  154   HG13  ILE  20          HG11      ILE  20  47.265  24.521  -7.862
  155   HG21  ILE  20          HG21      ILE  20  47.317  24.977 -10.479
  156   HG22  ILE  20          HG22      ILE  20  48.623  26.058 -11.021
  157   HG23  ILE  20          HG23      ILE  20  47.453  26.620  -9.806
  158   HD11  ILE  20           HD1      ILE  20  50.024  25.036  -6.695
  159   HD12  ILE  20           HD2      ILE  20  49.051  23.545  -6.654
  160   HD13  ILE  20           HD3      ILE  20  48.594  24.932  -5.641
  161    H    GLN  21           HN       GLN  21  51.824  23.320 -10.017
  162    HA   GLN  21           HA       GLN  21  51.334  23.688 -13.002
  163    HB2  GLN  21           HB2      GLN  21  53.004  25.182 -11.688
  164    HB3  GLN  21           HB1      GLN  21  54.027  23.733 -11.586
  165    HG2  GLN  21           HG2      GLN  21  52.950  24.892 -14.201
  166    HG3  GLN  21           HG1      GLN  21  54.570  25.223 -13.548
  167   HE21  GLN  21          HE21      GLN  21  53.555  23.631 -16.035
  168   HE22  GLN  21          HE22      GLN  21  54.407  22.090 -15.886
  169    H    ASN  22           HN       ASN  22  52.873  21.621 -10.479
  170    HA   ASN  22           HA       ASN  22  53.518  19.588 -12.570
  171    HB2  ASN  22           HB2      ASN  22  54.164  19.947  -9.627
  172    HB3  ASN  22           HB1      ASN  22  54.364  18.361 -10.407
  173   HD21  ASN  22          HD21      ASN  22  56.569  18.124 -10.816
  174   HD22  ASN  22          HD22      ASN  22  57.574  19.367 -11.569
  175    H    HIS  23           HN       HIS  23  51.185  20.454 -10.140
  176    HA   HIS  23           HA       HIS  23  50.021  17.975  -9.497
  177    HB2  HIS  23           HB2      HIS  23  49.114  19.851  -8.396
  178    HB3  HIS  23           HB1      HIS  23  48.926  20.767  -9.905
  179    HD1  HIS  23           HD1      HIS  23  47.632  17.255  -8.982
  180    HD2  HIS  23           HD2      HIS  23  46.217  20.964 -10.346
  181    HE1  HIS  23           HE1      HIS  23  45.112  17.030  -9.322
  182    H    HIS  24           HN       HIS  24  49.619  19.977 -12.424
  183    HA   HIS  24           HA       HIS  24  48.544  19.521 -14.436
  184    HB2  HIS  24           HB2      HIS  24  49.724  16.801 -13.761
  185    HB3  HIS  24           HB1      HIS  24  49.026  17.215 -15.344
  186    HD1  HIS  24           HD1      HIS  24  50.066  20.100 -15.689
  187    HD2  HIS  24           HD2      HIS  24  52.450  16.932 -14.285
  188    HE1  HIS  24           HE1      HIS  24  52.501  20.713 -16.159
  Start of MODEL   43
    1    H1   PHE   1           HT1      PHE   1  48.711  -0.113  -2.373
    2    H2   PHE   1           HT2      PHE   1  50.055  -1.059  -1.942
    3    H3   PHE   1           HT3      PHE   1  48.501  -1.745  -1.972
    4    HA   PHE   1           HA       PHE   1  50.097  -2.194  -3.888
    5    HB2  PHE   1           HB2      PHE   1  47.661  -2.793  -3.752
    6    HB3  PHE   1           HB1      PHE   1  47.277  -1.203  -4.454
    7    HD1  PHE   1           HD1      PHE   1  49.186  -4.375  -5.062
    8    HD2  PHE   1           HD2      PHE   1  47.434  -0.840  -6.814
    9    HE1  PHE   1           HE1      PHE   1  49.615  -5.290  -7.339
   10    HE2  PHE   1           HE2      PHE   1  47.862  -1.756  -9.090
   11    HZ   PHE   1           HZ       PHE   1  48.884  -4.015  -9.350
   12    H    LEU   2           HN       LEU   2  50.041   0.849  -2.934
   13    HA   LEU   2           HA       LEU   2  49.893   2.270  -5.490
   14    HB2  LEU   2           HB2      LEU   2  51.232   3.274  -2.955
   15    HB3  LEU   2           HB1      LEU   2  50.430   4.213  -4.238
   16    HG   LEU   2           HG       LEU   2  49.073   2.308  -2.278
   17   HD11  LEU   2          HD11      LEU   2  48.002   4.386  -1.451
   18   HD12  LEU   2          HD12      LEU   2  48.957   5.339  -2.612
   19   HD13  LEU   2          HD13      LEU   2  49.773   4.467  -1.293
   20   HD21  LEU   2          HD21      LEU   2  46.972   3.367  -3.356
   21   HD22  LEU   2          HD22      LEU   2  47.845   2.166  -4.333
   22   HD23  LEU   2          HD23      LEU   2  48.050   3.903  -4.667
   23    H    GLY   3           HN       GLY   3  51.751  -0.058  -5.260
   24    HA2  GLY   3           HA1      GLY   3  53.901  -0.596  -5.915
   25    HA3  GLY   3           HA2      GLY   3  53.887   0.945  -6.796
   26    H    ALA   4           HN       ALA   4  54.847   2.770  -5.923
   27    HA   ALA   4           HA       ALA   4  56.964   2.193  -3.979
   28    HB1  ALA   4           HB1      ALA   4  56.148   4.890  -5.102
   29    HB2  ALA   4           HB2      ALA   4  57.150   3.725  -6.000
   30    HB3  ALA   4           HB3      ALA   4  57.734   4.403  -4.461
   31    H    LEU   5           HN       LEU   5  56.661   5.126  -3.061
   32    HA   LEU   5           HA       LEU   5  54.293   5.145  -1.385
   33    HB2  LEU   5           HB2      LEU   5  55.489   5.008   0.797
   34    HB3  LEU   5           HB1      LEU   5  55.482   3.471  -0.087
   35    HG   LEU   5           HG       LEU   5  57.813   5.443  -0.258
   36   HD11  LEU   5          HD11      LEU   5  57.477   3.089   1.654
   37   HD12  LEU   5          HD12      LEU   5  57.450   4.810   2.110
   38   HD13  LEU   5          HD13      LEU   5  58.942   4.084   1.468
   39   HD21  LEU   5          HD21      LEU   5  58.975   3.071  -0.674
   40   HD22  LEU   5          HD22      LEU   5  58.124   3.882  -1.998
   41   HD23  LEU   5          HD23      LEU   5  57.329   2.563  -1.111
   42    H    ILE   6           HN       ILE   6  55.201   6.951  -3.203
   43    HA   ILE   6           HA       ILE   6  55.852   9.288  -1.406
   44    HB   ILE   6           HB       ILE   6  57.238   9.107  -4.127
   45   HG12  ILE   6          HG12      ILE   6  58.234   7.829  -1.538
   46   HG13  ILE   6          HG11      ILE   6  57.860   6.989  -3.061
   47   HG21  ILE   6          HG21      ILE   6  58.716  10.709  -3.172
   48   HG22  ILE   6          HG22      ILE   6  58.247  10.285  -1.507
   49   HG23  ILE   6          HG23      ILE   6  57.117  11.176  -2.551
   50   HD11  ILE   6           HD1      ILE   6  59.623   8.536  -4.153
   51   HD12  ILE   6           HD2      ILE   6  60.228   7.253  -3.078
   52   HD13  ILE   6           HD3      ILE   6  60.127   8.930  -2.492
   53    H    LYS   7           HN       LYS   7  56.281  10.771  -4.106
   54    HA   LYS   7           HA       LYS   7  54.827  12.273  -5.138
   55    HB2  LYS   7           HB2      LYS   7  53.994  10.046  -6.261
   56    HB3  LYS   7           HB1      LYS   7  52.676  10.106  -5.072
   57    HG2  LYS   7           HG2      LYS   7  51.712  11.227  -6.905
   58    HG3  LYS   7           HG1      LYS   7  52.340  12.582  -5.942
   59    HD2  LYS   7           HD2      LYS   7  54.315  12.750  -7.371
   60    HD3  LYS   7           HD1      LYS   7  53.856  11.271  -8.249
   61    HE2  LYS   7           HE2      LYS   7  51.818  12.363  -9.080
   62    HE3  LYS   7           HE1      LYS   7  52.204  13.831  -8.150
   63    HZ1  LYS   7           HZ1      LYS   7  52.890  13.582 -10.660
   64    HZ2  LYS   7           HZ2      LYS   7  54.230  12.776  -9.996
   65    HZ3  LYS   7           HZ3      LYS   7  53.896  14.382  -9.553
   66    H    GLY   8           HN       GLY   8  55.275  11.569  -2.564
   67    HA2  GLY   8           HA1      GLY   8  54.646  11.549  -0.427
   68    HA3  GLY   8           HA2      GLY   8  54.173  13.249  -0.809
   69    H    ALA   9           HN       ALA   9  53.128   9.932  -0.384
   70    HA   ALA   9           HA       ALA   9  51.057   8.987  -0.015
   71    HB1  ALA   9           HB1      ALA   9  49.510  10.351   1.415
   72    HB2  ALA   9           HB2      ALA   9  50.618  11.730   1.214
   73    HB3  ALA   9           HB3      ALA   9  51.171  10.254   2.041
   74    H    ILE  10           HN       ILE  10  50.963   9.147  -2.451
   75    HA   ILE  10           HA       ILE  10  49.663   9.410  -4.322
   76    HB   ILE  10           HB       ILE  10  47.669   9.980  -2.139
   77   HG12  ILE  10          HG12      ILE  10  48.231   7.726  -3.308
   78   HG13  ILE  10          HG11      ILE  10  46.524   8.125  -3.032
   79   HG21  ILE  10          HG21      ILE  10  47.222  10.973  -4.972
   80   HG22  ILE  10          HG22      ILE  10  46.955  11.829  -3.433
   81   HG23  ILE  10          HG23      ILE  10  45.876  10.502  -3.910
   82   HD11  ILE  10           HD1      ILE  10  46.146   8.635  -5.320
   83   HD12  ILE  10           HD2      ILE  10  47.205   7.210  -5.378
   84   HD13  ILE  10           HD3      ILE  10  47.879   8.827  -5.665
   85    H    HIS  11           HN       HIS  11  48.782  12.298  -2.358
   86    HA   HIS  11           HA       HIS  11  50.303  14.018  -4.243
   87    HB2  HIS  11           HB2      HIS  11  47.992  13.767  -5.219
   88    HB3  HIS  11           HB1      HIS  11  47.336  14.453  -3.713
   89    HD1  HIS  11           HD1      HIS  11  47.915  16.962  -3.154
   90    HD2  HIS  11           HD2      HIS  11  49.103  15.662  -6.972
   91    HE1  HIS  11           HE1      HIS  11  48.528  19.038  -4.509
   92    H    GLY  12           HN       GLY  12  49.331  13.071  -1.242
   93    HA2  GLY  12           HA1      GLY  12  50.481  14.223   0.638
   94    HA3  GLY  12           HA2      GLY  12  49.941  15.773  -0.039
   95    H    GLY  13           HN       GLY  13  47.814  13.012  -0.163
   96    HA2  GLY  13           HA1      GLY  13  45.843  12.552   0.957
   97    HA3  GLY  13           HA2      GLY  13  46.530  13.371   2.373
   98    H    ARG  14           HN       ARG  14  45.221  14.154  -0.881
   99    HA   ARG  14           HA       ARG  14  43.222  15.923   0.284
  100    HB2  ARG  14           HB2      ARG  14  45.504  17.214   0.353
  101    HB3  ARG  14           HB1      ARG  14  45.313  17.342  -1.405
  102    HG2  ARG  14           HG2      ARG  14  44.365  19.343  -0.430
  103    HG3  ARG  14           HG1      ARG  14  43.015  18.349  -1.011
  104    HD2  ARG  14           HD2      ARG  14  42.266  17.875   1.151
  105    HD3  ARG  14           HD1      ARG  14  43.896  17.973   1.859
  106    HE   ARG  14           HE       ARG  14  43.200  20.573   0.953
  107   HH11  ARG  14          HH11      ARG  14  44.109  20.247   3.691
  108   HH12  ARG  14          HH12      ARG  14  42.678  20.489   4.636
  109   HH21  ARG  14          HH21      ARG  14  40.516  20.004   1.969
  110   HH22  ARG  14          HH22      ARG  14  40.644  20.352   3.661
  111    H    PHE  15           HN       PHE  15  44.488  13.976  -2.094
  112    HA   PHE  15           HA       PHE  15  42.930  15.150  -4.346
  113    HB2  PHE  15           HB2      PHE  15  45.200  14.034  -4.645
  114    HB3  PHE  15           HB1      PHE  15  44.415  12.491  -4.233
  115    HD1  PHE  15           HD1      PHE  15  43.500  11.211  -6.003
  116    HD2  PHE  15           HD2      PHE  15  43.923  15.481  -6.485
  117    HE1  PHE  15           HE1      PHE  15  42.691  11.027  -8.352
  118    HE2  PHE  15           HE2      PHE  15  43.117  15.295  -8.835
  119    HZ   PHE  15           HZ       PHE  15  42.562  13.060  -9.787
  120    H    ILE  16           HN       ILE  16  42.924  12.486  -2.047
  121    HA   ILE  16           HA       ILE  16  40.030  12.138  -2.364
  122    HB   ILE  16           HB       ILE  16  40.331   9.583  -2.681
  123   HG12  ILE  16          HG12      ILE  16  43.024  10.555  -3.759
  124   HG13  ILE  16          HG11      ILE  16  42.801   9.580  -2.291
  125   HG21  ILE  16          HG21      ILE  16  40.189   9.750  -5.067
  126   HG22  ILE  16          HG22      ILE  16  41.162  11.238  -5.100
  127   HG23  ILE  16          HG23      ILE  16  39.507  11.269  -4.446
  128   HD11  ILE  16           HD1      ILE  16  42.337   8.784  -5.181
  129   HD12  ILE  16           HD2      ILE  16  41.554   7.894  -3.851
  130   HD13  ILE  16           HD3      ILE  16  43.328   7.973  -3.948
  131    H    HIS  17           HN       HIS  17  40.824  13.124  -0.224
  132    HA   HIS  17           HA       HIS  17  40.826  10.920   1.766
  133    HB2  HIS  17           HB2      HIS  17  43.246  11.421   1.320
  134    HB3  HIS  17           HB1      HIS  17  42.949  13.103   1.822
  135    HD1  HIS  17           HD1      HIS  17  42.902  13.613   4.297
  136    HD2  HIS  17           HD2      HIS  17  42.829   9.488   3.482
  137    HE1  HIS  17           HE1      HIS  17  43.130  12.392   6.530
  138    H    GLY  18           HN       GLY  18  40.411  14.267   0.785
  139    HA2  GLY  18           HA1      GLY  18  39.757  15.486   3.243
  140    HA3  GLY  18           HA2      GLY  18  38.999  15.881   1.673
  141    H    MET  19           HN       MET  19  37.747  13.821   0.914
  142    HA   MET  19           HA       MET  19  36.177  12.367   2.701
  143    HB2  MET  19           HB2      MET  19  35.352  14.688   3.364
  144    HB3  MET  19           HB1      MET  19  34.690  14.783   1.725
  145    HG2  MET  19           HG2      MET  19  33.053  13.146   2.153
  146    HG3  MET  19           HG1      MET  19  33.989  12.397   3.467
  147    HE1  MET  19           HE1      MET  19  31.720  12.350   4.986
  148    HE2  MET  19           HE2      MET  19  31.011  12.936   3.462
  149    HE3  MET  19           HE3      MET  19  30.615  13.745   4.997
  150    H    ILE  20           HN       ILE  20  37.557  12.728   0.044
  151    HA   ILE  20           HA       ILE  20  37.189  11.940  -2.100
  152    HB   ILE  20           HB       ILE  20  34.563  10.681  -1.162
  153   HG12  ILE  20          HG12      ILE  20  36.128   9.841   0.437
  154   HG13  ILE  20          HG11      ILE  20  35.999   8.573  -0.796
  155   HG21  ILE  20          HG21      ILE  20  36.496  10.173  -3.455
  156   HG22  ILE  20          HG22      ILE  20  34.774  10.593  -3.524
  157   HG23  ILE  20          HG23      ILE  20  35.271   8.984  -2.960
  158   HD11  ILE  20           HD1      ILE  20  38.342   8.829  -0.307
  159   HD12  ILE  20           HD2      ILE  20  38.248  10.599  -0.430
  160   HD13  ILE  20           HD3      ILE  20  38.086   9.595  -1.889
  161    H    GLN  21           HN       GLN  21  35.337  13.880  -0.134
  162    HA   GLN  21           HA       GLN  21  33.919  15.109  -2.545
  163    HB2  GLN  21           HB2      GLN  21  32.833  14.742   0.275
  164    HB3  GLN  21           HB1      GLN  21  32.057  15.705  -1.004
  165    HG2  GLN  21           HG2      GLN  21  32.781  12.766  -1.348
  166    HG3  GLN  21           HG1      GLN  21  31.194  13.311  -0.757
  167   HE21  GLN  21          HE21      GLN  21  31.110  11.897  -3.113
  168   HE22  GLN  21          HE22      GLN  21  30.851  12.987  -4.478
  169    H    ASN  22           HN       ASN  22  35.953  15.503   0.290
  170    HA   ASN  22           HA       ASN  22  35.658  18.501   0.069
  171    HB2  ASN  22           HB2      ASN  22  36.710  16.696   2.280
  172    HB3  ASN  22           HB1      ASN  22  36.932  18.460   2.269
  173   HD21  ASN  22          HD21      ASN  22  33.997  17.523   0.715
  174   HD22  ASN  22          HD22      ASN  22  32.916  17.842   2.077
  175    H    HIS  23           HN       HIS  23  37.532  15.776  -0.698
  176    HA   HIS  23           HA       HIS  23  40.189  16.425  -0.524
  177    HB2  HIS  23           HB2      HIS  23  40.487  15.314  -2.728
  178    HB3  HIS  23           HB1      HIS  23  39.362  14.428  -1.674
  179    HD1  HIS  23           HD1      HIS  23  36.748  15.899  -2.046
  180    HD2  HIS  23           HD2      HIS  23  39.386  15.218  -5.250
  181    HE1  HIS  23           HE1      HIS  23  35.375  15.989  -4.198
  182    H    HIS  24           HN       HIS  24  41.029  18.433  -0.630
  183    HA   HIS  24           HA       HIS  24  41.658  20.473  -1.533
  184    HB2  HIS  24           HB2      HIS  24  42.565  18.917  -3.296
  185    HB3  HIS  24           HB1      HIS  24  41.063  19.170  -4.217
  186    HD1  HIS  24           HD1      HIS  24  41.065  21.098  -5.803
  187    HD2  HIS  24           HD2      HIS  24  43.959  21.527  -2.781
  188    HE1  HIS  24           HE1      HIS  24  42.365  23.244  -6.290
  Start of MODEL   44
    1    H1   PHE   1           HT1      PHE   1  56.664  -2.960  -8.237
    2    H2   PHE   1           HT2      PHE   1  55.935  -1.470  -8.605
    3    H3   PHE   1           HT3      PHE   1  55.689  -2.188  -7.085
    4    HA   PHE   1           HA       PHE   1  57.966  -1.916  -6.512
    5    HB2  PHE   1           HB2      PHE   1  59.415  -0.567  -8.070
    6    HB3  PHE   1           HB1      PHE   1  58.986  -2.180  -8.689
    7    HD1  PHE   1           HD1      PHE   1  56.972  -2.381 -10.276
    8    HD2  PHE   1           HD2      PHE   1  58.829   1.393  -9.303
    9    HE1  PHE   1           HE1      PHE   1  55.935  -1.350 -12.293
   10    HE2  PHE   1           HE2      PHE   1  57.791   2.421 -11.320
   11    HZ   PHE   1           HZ       PHE   1  56.292   1.068 -12.777
   12    H    LEU   2           HN       LEU   2  57.213  -0.646  -4.901
   13    HA   LEU   2           HA       LEU   2  56.562   1.294  -3.808
   14    HB2  LEU   2           HB2      LEU   2  57.693   2.843  -6.163
   15    HB3  LEU   2           HB1      LEU   2  57.641   3.312  -4.447
   16    HG   LEU   2           HG       LEU   2  59.304   1.062  -5.663
   17   HD11  LEU   2          HD11      LEU   2  61.207   2.484  -4.914
   18   HD12  LEU   2          HD12      LEU   2  60.051   3.724  -4.370
   19   HD13  LEU   2          HD13      LEU   2  60.182   3.325  -6.100
   20   HD21  LEU   2          HD21      LEU   2  58.813   1.943  -2.787
   21   HD22  LEU   2          HD22      LEU   2  60.277   1.048  -3.260
   22   HD23  LEU   2          HD23      LEU   2  58.675   0.308  -3.481
   23    H    GLY   3           HN       GLY   3  54.349   1.090  -3.883
   24    HA2  GLY   3           HA1      GLY   3  52.835   1.873  -6.250
   25    HA3  GLY   3           HA2      GLY   3  52.184   1.457  -4.652
   26    H    ALA   4           HN       ALA   4  54.221   4.026  -6.126
   27    HA   ALA   4           HA       ALA   4  54.157   6.325  -5.831
   28    HB1  ALA   4           HB1      ALA   4  51.202   5.875  -5.302
   29    HB2  ALA   4           HB2      ALA   4  51.936   5.948  -6.923
   30    HB3  ALA   4           HB3      ALA   4  51.979   7.375  -5.860
   31    H    LEU   5           HN       LEU   5  55.094   5.028  -3.628
   32    HA   LEU   5           HA       LEU   5  53.639   5.735  -1.218
   33    HB2  LEU   5           HB2      LEU   5  56.471   4.831  -1.830
   34    HB3  LEU   5           HB1      LEU   5  56.014   5.329  -0.184
   35    HG   LEU   5           HG       LEU   5  54.262   3.630  -0.101
   36   HD11  LEU   5          HD11      LEU   5  53.427   3.570  -2.342
   37   HD12  LEU   5          HD12      LEU   5  54.148   1.967  -2.069
   38   HD13  LEU   5          HD13      LEU   5  55.031   3.191  -3.014
   39   HD21  LEU   5          HD21      LEU   5  56.782   2.375  -1.273
   40   HD22  LEU   5          HD22      LEU   5  55.653   1.642  -0.108
   41   HD23  LEU   5          HD23      LEU   5  56.675   3.013   0.385
   42    H    ILE   6           HN       ILE   6  56.160   7.276  -3.193
   43    HA   ILE   6           HA       ILE   6  56.364   9.549  -1.236
   44    HB   ILE   6           HB       ILE   6  57.671   9.616  -3.998
   45   HG12  ILE   6          HG12      ILE   6  58.554   7.820  -1.690
   46   HG13  ILE   6          HG11      ILE   6  58.051   7.293  -3.313
   47   HG21  ILE   6          HG21      ILE   6  59.349  10.861  -2.865
   48   HG22  ILE   6          HG22      ILE   6  58.886  10.216  -1.270
   49   HG23  ILE   6          HG23      ILE   6  57.838  11.394  -2.093
   50   HD11  ILE   6           HD1      ILE   6  60.547   8.840  -2.527
   51   HD12  ILE   6           HD2      ILE   6  59.968   8.776  -4.211
   52   HD13  ILE   6           HD3      ILE   6  60.436   7.277  -3.370
   53    H    LYS   7           HN       LYS   7  56.885  11.406  -3.613
   54    HA   LYS   7           HA       LYS   7  55.547  13.168  -4.364
   55    HB2  LYS   7           HB2      LYS   7  53.446  10.988  -4.849
   56    HB3  LYS   7           HB1      LYS   7  53.420  12.634  -5.530
   57    HG2  LYS   7           HG2      LYS   7  55.344  12.212  -6.894
   58    HG3  LYS   7           HG1      LYS   7  55.728  10.710  -6.020
   59    HD2  LYS   7           HD2      LYS   7  54.688  10.180  -8.185
   60    HD3  LYS   7           HD1      LYS   7  53.609   9.699  -6.855
   61    HE2  LYS   7           HE2      LYS   7  53.335  12.437  -8.146
   62    HE3  LYS   7           HE1      LYS   7  52.584  11.003  -8.882
   63    HZ1  LYS   7           HZ1      LYS   7  50.962  11.120  -7.404
   64    HZ2  LYS   7           HZ2      LYS   7  51.653  12.517  -6.728
   65    HZ3  LYS   7           HZ3      LYS   7  52.062  10.985  -6.120
   66    H    GLY   8           HN       GLY   8  55.837  11.963  -1.957
   67    HA2  GLY   8           HA1      GLY   8  55.128  11.595   0.112
   68    HA3  GLY   8           HA2      GLY   8  54.678  13.342   0.031
   69    H    ALA   9           HN       ALA   9  53.599  10.013  -0.275
   70    HA   ALA   9           HA       ALA   9  51.528   9.032  -0.071
   71    HB1  ALA   9           HB1      ALA   9  51.595  10.368   2.079
   72    HB2  ALA   9           HB2      ALA   9  49.965   9.989   1.473
   73    HB3  ALA   9           HB3      ALA   9  50.643  11.619   1.245
   74    H    ILE  10           HN       ILE  10  51.787   9.603  -2.514
   75    HA   ILE  10           HA       ILE  10  50.690  10.060  -4.469
   76    HB   ILE  10           HB       ILE  10  48.443   9.962  -2.498
   77   HG12  ILE  10          HG12      ILE  10  49.343   8.123  -4.092
   78   HG13  ILE  10          HG11      ILE  10  47.583   8.301  -3.938
   79   HG21  ILE  10          HG21      ILE  10  48.095  11.550  -5.067
   80   HG22  ILE  10          HG22      ILE  10  47.650  12.013  -3.406
   81   HG23  ILE  10          HG23      ILE  10  46.742  10.738  -4.245
   82   HD11  ILE  10           HD1      ILE  10  49.124   9.724  -6.144
   83   HD12  ILE  10           HD2      ILE  10  47.386   9.363  -6.059
   84   HD13  ILE  10           HD3      ILE  10  48.556   8.051  -6.331
   85    H    HIS  11           HN       HIS  11  49.339  12.489  -2.170
   86    HA   HIS  11           HA       HIS  11  50.781  14.628  -3.653
   87    HB2  HIS  11           HB2      HIS  11  47.752  14.442  -3.371
   88    HB3  HIS  11           HB1      HIS  11  48.613  15.950  -3.765
   89    HD1  HIS  11           HD1      HIS  11  46.768  13.546  -5.483
   90    HD2  HIS  11           HD2      HIS  11  50.617  15.127  -6.092
   91    HE1  HIS  11           HE1      HIS  11  47.407  13.084  -7.914
   92    H    GLY  12           HN       GLY  12  49.733  13.127  -0.885
   93    HA2  GLY  12           HA1      GLY  12  50.876  14.372   1.111
   94    HA3  GLY  12           HA2      GLY  12  49.692  15.646   0.750
   95    H    GLY  13           HN       GLY  13  48.577  12.502   0.040
   96    HA2  GLY  13           HA1      GLY  13  47.042  11.127   1.087
   97    HA3  GLY  13           HA2      GLY  13  47.682  11.696   2.643
   98    H    ARG  14           HN       ARG  14  45.642  12.803  -0.099
   99    HA   ARG  14           HA       ARG  14  43.485  13.503   1.727
  100    HB2  ARG  14           HB2      ARG  14  45.378  15.405   1.771
  101    HB3  ARG  14           HB1      ARG  14  44.576  15.923   0.275
  102    HG2  ARG  14           HG2      ARG  14  43.289  15.577   3.023
  103    HG3  ARG  14           HG1      ARG  14  43.577  17.107   2.162
  104    HD2  ARG  14           HD2      ARG  14  42.105  16.066   0.266
  105    HD3  ARG  14           HD1      ARG  14  41.581  14.915   1.519
  106    HE   ARG  14           HE       ARG  14  40.280  16.650   2.431
  107   HH11  ARG  14          HH11      ARG  14  41.069  17.978  -0.357
  108   HH12  ARG  14          HH12      ARG  14  41.366  19.591   0.197
  109   HH21  ARG  14          HH21      ARG  14  41.440  18.710   3.550
  110   HH22  ARG  14          HH22      ARG  14  41.577  20.006   2.408
  111    H    PHE  15           HN       PHE  15  44.968  14.128  -1.487
  112    HA   PHE  15           HA       PHE  15  42.625  14.724  -2.922
  113    HB2  PHE  15           HB2      PHE  15  45.189  13.285  -3.676
  114    HB3  PHE  15           HB1      PHE  15  43.893  13.518  -4.872
  115    HD1  PHE  15           HD1      PHE  15  43.832  15.541  -6.103
  116    HD2  PHE  15           HD2      PHE  15  45.888  15.448  -2.305
  117    HE1  PHE  15           HE1      PHE  15  44.605  17.880  -6.461
  118    HE2  PHE  15           HE2      PHE  15  46.660  17.785  -2.668
  119    HZ   PHE  15           HZ       PHE  15  45.975  19.020  -4.721
  120    H    ILE  16           HN       ILE  16  43.933  11.538  -1.973
  121    HA   ILE  16           HA       ILE  16  41.237  10.383  -2.242
  122    HB   ILE  16           HB       ILE  16  42.084   8.484  -3.711
  123   HG12  ILE  16          HG12      ILE  16  44.347  10.487  -4.185
  124   HG13  ILE  16          HG11      ILE  16  44.513   8.881  -3.446
  125   HG21  ILE  16          HG21      ILE  16  40.689  10.515  -4.494
  126   HG22  ILE  16          HG22      ILE  16  41.581   9.632  -5.750
  127   HG23  ILE  16          HG23      ILE  16  42.212  11.176  -5.132
  128   HD11  ILE  16           HD1      ILE  16  43.869   9.580  -6.327
  129   HD12  ILE  16           HD2      ILE  16  43.470   7.977  -5.661
  130   HD13  ILE  16           HD3      ILE  16  45.161   8.532  -5.698
  131    H    HIS  17           HN       HIS  17  42.238  10.664   0.065
  132    HA   HIS  17           HA       HIS  17  42.778   7.960   0.988
  133    HB2  HIS  17           HB2      HIS  17  45.070   8.734   0.197
  134    HB3  HIS  17           HB1      HIS  17  44.988  10.001   1.443
  135    HD1  HIS  17           HD1      HIS  17  44.660   6.175   1.182
  136    HD2  HIS  17           HD2      HIS  17  45.980   9.131   3.863
  137    HE1  HIS  17           HE1      HIS  17  45.585   4.978   3.242
  138    H    GLY  18           HN       GLY  18  42.012  11.229   1.250
  139    HA2  GLY  18           HA1      GLY  18  40.996  10.843   4.016
  140    HA3  GLY  18           HA2      GLY  18  42.104  12.204   3.721
  141    H    MET  19           HN       MET  19  39.502  10.695   1.826
  142    HA   MET  19           HA       MET  19  37.555  12.803   2.099
  143    HB2  MET  19           HB2      MET  19  39.286  13.977   0.879
  144    HB3  MET  19           HB1      MET  19  39.215  12.736  -0.361
  145    HG2  MET  19           HG2      MET  19  36.879  13.323  -0.865
  146    HG3  MET  19           HG1      MET  19  36.876  14.505   0.464
  147    HE1  MET  19           HE1      MET  19  36.172  16.480  -0.732
  148    HE2  MET  19           HE2      MET  19  35.886  15.533  -2.211
  149    HE3  MET  19           HE3      MET  19  36.783  17.067  -2.297
  150    H    ILE  20           HN       ILE  20  38.989  10.769  -0.515
  151    HA   ILE  20           HA       ILE  20  36.349   9.678  -1.209
  152    HB   ILE  20           HB       ILE  20  39.226   8.838  -1.836
  153   HG12  ILE  20          HG12      ILE  20  38.625   9.439  -4.108
  154   HG13  ILE  20          HG11      ILE  20  36.909   9.591  -3.672
  155   HG21  ILE  20          HG21      ILE  20  38.071   6.734  -1.626
  156   HG22  ILE  20          HG22      ILE  20  38.111   7.104  -3.366
  157   HG23  ILE  20          HG23      ILE  20  36.620   7.376  -2.432
  158   HD11  ILE  20           HD1      ILE  20  37.293  11.570  -2.392
  159   HD12  ILE  20           HD2      ILE  20  38.250  11.790  -3.878
  160   HD13  ILE  20           HD3      ILE  20  39.054  11.309  -2.365
  161    H    GLN  21           HN       GLN  21  38.450   9.731   1.279
  162    HA   GLN  21           HA       GLN  21  37.411   7.245   2.556
  163    HB2  GLN  21           HB2      GLN  21  40.128   8.605   2.793
  164    HB3  GLN  21           HB1      GLN  21  39.538   7.362   3.922
  165    HG2  GLN  21           HG2      GLN  21  39.210   5.819   1.956
  166    HG3  GLN  21           HG1      GLN  21  39.980   7.046   0.922
  167   HE21  GLN  21          HE21      GLN  21  41.709   5.371   0.517
  168   HE22  GLN  21          HE22      GLN  21  42.972   5.162   1.735
  169    H    ASN  22           HN       ASN  22  37.994  10.852   2.572
  170    HA   ASN  22           HA       ASN  22  36.725  10.791   5.376
  171    HB2  ASN  22           HB2      ASN  22  39.112  11.803   5.056
  172    HB3  ASN  22           HB1      ASN  22  38.262  13.165   4.298
  173   HD21  ASN  22          HD21      ASN  22  35.877  12.346   6.242
  174   HD22  ASN  22          HD22      ASN  22  36.344  13.159   7.739
  175    H    HIS  23           HN       HIS  23  35.435  10.735   2.643
  176    HA   HIS  23           HA       HIS  23  33.416  12.768   3.279
  177    HB2  HIS  23           HB2      HIS  23  35.056  14.153   2.062
  178    HB3  HIS  23           HB1      HIS  23  35.019  13.010   0.699
  179    HD1  HIS  23           HD1      HIS  23  31.676  12.976   1.889
  180    HD2  HIS  23           HD2      HIS  23  33.920  15.772  -0.313
  181    HE1  HIS  23           HE1      HIS  23  30.019  14.502   0.684
  182    H    HIS  24           HN       HIS  24  33.570  12.188  -0.062
  183    HA   HIS  24           HA       HIS  24  32.428   9.526  -0.118
  184    HB2  HIS  24           HB2      HIS  24  30.514  10.714   0.911
  185    HB3  HIS  24           HB1      HIS  24  30.495  11.855  -0.455
  186    HD1  HIS  24           HD1      HIS  24  31.374   8.368  -1.370
  187    HD2  HIS  24           HD2      HIS  24  27.850  10.632  -1.002
  188    HE1  HIS  24           HE1      HIS  24  29.532   7.119  -2.625
  Start of MODEL   45
    1    H1   PHE   1           HT1      PHE   1  60.062   7.496 -10.693
    2    H2   PHE   1           HT2      PHE   1  59.099   7.845 -12.048
    3    H3   PHE   1           HT3      PHE   1  60.305   6.652 -12.143
    4    HA   PHE   1           HA       PHE   1  57.637   6.372 -11.455
    5    HB2  PHE   1           HB2      PHE   1  59.154   4.839 -12.781
    6    HB3  PHE   1           HB1      PHE   1  59.904   4.352 -11.242
    7    HD1  PHE   1           HD1      PHE   1  58.794   2.827  -9.744
    8    HD2  PHE   1           HD2      PHE   1  56.686   4.443 -13.148
    9    HE1  PHE   1           HE1      PHE   1  56.936   1.212  -9.361
   10    HE2  PHE   1           HE2      PHE   1  54.828   2.830 -12.762
   11    HZ   PHE   1           HZ       PHE   1  54.916   1.274 -10.818
   12    H    LEU   2           HN       LEU   2  56.573   5.801  -9.616
   13    HA   LEU   2           HA       LEU   2  57.748   6.569  -7.103
   14    HB2  LEU   2           HB2      LEU   2  55.281   4.855  -7.591
   15    HB3  LEU   2           HB1      LEU   2  55.667   5.759  -6.111
   16    HG   LEU   2           HG       LEU   2  55.320   7.068  -8.848
   17   HD11  LEU   2          HD11      LEU   2  53.315   6.766  -6.568
   18   HD12  LEU   2          HD12      LEU   2  53.222   5.965  -8.155
   19   HD13  LEU   2          HD13      LEU   2  53.070   7.735  -8.040
   20   HD21  LEU   2          HD21      LEU   2  54.867   9.086  -7.265
   21   HD22  LEU   2          HD22      LEU   2  56.548   8.542  -7.424
   22   HD23  LEU   2          HD23      LEU   2  55.601   8.089  -5.988
   23    H    GLY   3           HN       GLY   3  56.290   3.358  -7.715
   24    HA2  GLY   3           HA1      GLY   3  56.955   1.268  -6.988
   25    HA3  GLY   3           HA2      GLY   3  58.606   1.792  -7.373
   26    H    ALA   4           HN       ALA   4  56.676   3.508  -5.002
   27    HA   ALA   4           HA       ALA   4  57.582   2.001  -2.703
   28    HB1  ALA   4           HB1      ALA   4  59.753   2.965  -3.359
   29    HB2  ALA   4           HB2      ALA   4  59.182   3.639  -1.813
   30    HB3  ALA   4           HB3      ALA   4  59.043   4.595  -3.306
   31    H    LEU   5           HN       LEU   5  55.485   3.907  -4.199
   32    HA   LEU   5           HA       LEU   5  53.828   5.396  -3.532
   33    HB2  LEU   5           HB2      LEU   5  54.057   4.139  -0.778
   34    HB3  LEU   5           HB1      LEU   5  52.600   4.718  -1.623
   35    HG   LEU   5           HG       LEU   5  54.293   2.288  -2.356
   36   HD11  LEU   5          HD11      LEU   5  52.713   2.085  -0.400
   37   HD12  LEU   5          HD12      LEU   5  52.296   1.020  -1.764
   38   HD13  LEU   5          HD13      LEU   5  51.378   2.521  -1.490
   39   HD21  LEU   5          HD21      LEU   5  51.958   3.654  -3.760
   40   HD22  LEU   5          HD22      LEU   5  52.379   1.949  -4.054
   41   HD23  LEU   5          HD23      LEU   5  53.550   3.232  -4.434
   42    H    ILE   6           HN       ILE   6  54.851   7.373  -3.667
   43    HA   ILE   6           HA       ILE   6  55.378   8.668  -1.019
   44    HB   ILE   6           HB       ILE   6  57.557   9.613  -1.796
   45   HG12  ILE   6          HG12      ILE   6  57.289   7.629  -4.107
   46   HG13  ILE   6          HG11      ILE   6  57.116   9.391  -4.261
   47   HG21  ILE   6          HG21      ILE   6  58.886   7.674  -1.334
   48   HG22  ILE   6          HG22      ILE   6  57.654   6.579  -2.006
   49   HG23  ILE   6          HG23      ILE   6  57.352   7.427  -0.471
   50   HD11  ILE   6           HD1      ILE   6  59.484   9.517  -3.180
   51   HD12  ILE   6           HD2      ILE   6  59.371   8.985  -4.874
   52   HD13  ILE   6           HD3      ILE   6  59.600   7.786  -3.580
   53    H    LYS   7           HN       LYS   7  56.763  10.908  -2.632
   54    HA   LYS   7           HA       LYS   7  55.870  12.977  -3.232
   55    HB2  LYS   7           HB2      LYS   7  53.920  11.216  -4.814
   56    HB3  LYS   7           HB1      LYS   7  53.962  12.988  -4.928
   57    HG2  LYS   7           HG2      LYS   7  56.492  11.369  -5.410
   58    HG3  LYS   7           HG1      LYS   7  55.288  11.549  -6.703
   59    HD2  LYS   7           HD2      LYS   7  55.431  14.045  -6.435
   60    HD3  LYS   7           HD1      LYS   7  56.730  13.810  -5.244
   61    HE2  LYS   7           HE2      LYS   7  57.778  14.225  -7.382
   62    HE3  LYS   7           HE1      LYS   7  57.993  12.499  -7.008
   63    HZ1  LYS   7           HZ1      LYS   7  57.261  12.585  -9.221
   64    HZ2  LYS   7           HZ2      LYS   7  56.065  13.744  -8.888
   65    HZ3  LYS   7           HZ3      LYS   7  55.883  12.149  -8.333
   66    H    GLY   8           HN       GLY   8  55.357  11.256  -1.209
   67    HA2  GLY   8           HA1      GLY   8  54.044  10.564   0.449
   68    HA3  GLY   8           HA2      GLY   8  53.851  12.341   0.713
   69    H    ALA   9           HN       ALA   9  52.477   9.401  -0.564
   70    HA   ALA   9           HA       ALA   9  50.390   8.850  -1.363
   71    HB1  ALA   9           HB1      ALA   9  48.530   9.704   0.135
   72    HB2  ALA   9           HB2      ALA   9  49.761  10.673   0.979
   73    HB3  ALA   9           HB3      ALA   9  49.874   8.897   0.974
   74    H    ILE  10           HN       ILE  10  51.569  10.774  -2.924
   75    HA   ILE  10           HA       ILE  10  51.200  12.678  -4.215
   76    HB   ILE  10           HB       ILE  10  48.944  12.426  -5.563
   77   HG12  ILE  10          HG12      ILE  10  48.063  10.749  -3.719
   78   HG13  ILE  10          HG11      ILE  10  47.741  10.416  -5.421
   79   HG21  ILE  10          HG21      ILE  10  51.227  10.413  -5.636
   80   HG22  ILE  10          HG22      ILE  10  51.065  11.925  -6.556
   81   HG23  ILE  10          HG23      ILE  10  49.989  10.555  -6.908
   82   HD11  ILE  10           HD1      ILE  10  50.125   9.211  -3.948
   83   HD12  ILE  10           HD2      ILE  10  49.458   8.736  -5.521
   84   HD13  ILE  10           HD3      ILE  10  48.537   8.425  -4.034
   85    H    HIS  11           HN       HIS  11  47.716  12.421  -3.764
   86    HA   HIS  11           HA       HIS  11  47.404  15.162  -3.241
   87    HB2  HIS  11           HB2      HIS  11  45.574  13.031  -2.099
   88    HB3  HIS  11           HB1      HIS  11  45.162  14.674  -2.647
   89    HD1  HIS  11           HD1      HIS  11  44.847  11.305  -3.732
   90    HD2  HIS  11           HD2      HIS  11  45.960  14.885  -5.635
   91    HE1  HIS  11           HE1      HIS  11  44.597  10.940  -6.248
   92    H    GLY  12           HN       GLY  12  48.983  12.918  -1.247
   93    HA2  GLY  12           HA1      GLY  12  48.023  13.788   1.324
   94    HA3  GLY  12           HA2      GLY  12  49.599  13.040   0.994
   95    H    GLY  13           HN       GLY  13  49.388  15.528  -1.102
   96    HA2  GLY  13           HA1      GLY  13  50.020  17.753   0.688
   97    HA3  GLY  13           HA2      GLY  13  51.430  17.091  -0.167
   98    H    ARG  14           HN       ARG  14  49.813  16.302  -2.526
   99    HA   ARG  14           HA       ARG  14  50.051  18.835  -3.934
  100    HB2  ARG  14           HB2      ARG  14  50.555  16.738  -5.073
  101    HB3  ARG  14           HB1      ARG  14  48.913  16.133  -4.769
  102    HG2  ARG  14           HG2      ARG  14  49.208  16.987  -7.100
  103    HG3  ARG  14           HG1      ARG  14  47.960  17.883  -6.212
  104    HD2  ARG  14           HD2      ARG  14  49.337  19.793  -5.964
  105    HD3  ARG  14           HD1      ARG  14  50.833  18.870  -6.253
  106    HE   ARG  14           HE       ARG  14  50.527  19.396  -8.521
  107   HH11  ARG  14          HH11      ARG  14  48.133  21.168  -7.550
  108   HH12  ARG  14          HH12      ARG  14  46.915  20.648  -8.667
  109   HH21  ARG  14          HH21      ARG  14  48.680  17.847  -9.698
  110   HH22  ARG  14          HH22      ARG  14  47.225  18.769  -9.883
  111    H    PHE  15           HN       PHE  15  47.480  17.126  -2.279
  112    HA   PHE  15           HA       PHE  15  45.153  17.984  -3.500
  113    HB2  PHE  15           HB2      PHE  15  45.251  16.674  -1.388
  114    HB3  PHE  15           HB1      PHE  15  45.708  18.153  -0.511
  115    HD1  PHE  15           HD1      PHE  15  42.973  16.302  -2.122
  116    HD2  PHE  15           HD2      PHE  15  44.114  20.074  -0.362
  117    HE1  PHE  15           HE1      PHE  15  40.572  16.942  -1.938
  118    HE2  PHE  15           HE2      PHE  15  41.713  20.713  -0.177
  119    HZ   PHE  15           HZ       PHE  15  39.942  19.130  -0.925
  120    H    ILE  16           HN       ILE  16  46.813  19.899  -0.930
  121    HA   ILE  16           HA       ILE  16  45.250  22.257  -1.562
  122    HB   ILE  16           HB       ILE  16  47.905  22.190  -0.062
  123   HG12  ILE  16          HG12      ILE  16  45.071  21.773   0.999
  124   HG13  ILE  16          HG11      ILE  16  46.286  20.488   0.821
  125   HG21  ILE  16          HG21      ILE  16  46.979  24.416  -0.735
  126   HG22  ILE  16          HG22      ILE  16  46.970  24.189   1.028
  127   HG23  ILE  16          HG23      ILE  16  45.463  24.013   0.104
  128   HD11  ILE  16           HD1      ILE  16  47.798  22.091   2.300
  129   HD12  ILE  16           HD2      ILE  16  46.552  21.087   3.079
  130   HD13  ILE  16           HD3      ILE  16  46.237  22.809   2.770
  131    H    HIS  17           HN       HIS  17  48.846  22.448  -1.502
  132    HA   HIS  17           HA       HIS  17  48.826  23.091  -4.426
  133    HB2  HIS  17           HB2      HIS  17  49.637  25.027  -2.221
  134    HB3  HIS  17           HB1      HIS  17  50.141  25.206  -3.917
  135    HD1  HIS  17           HD1      HIS  17  47.698  26.499  -1.727
  136    HD2  HIS  17           HD2      HIS  17  47.522  24.932  -5.625
  137    HE1  HIS  17           HE1      HIS  17  45.521  27.324  -2.782
  138    H    GLY  18           HN       GLY  18  49.987  21.437  -1.905
  139    HA2  GLY  18           HA1      GLY  18  52.093  20.143  -2.967
  140    HA3  GLY  18           HA2      GLY  18  52.875  21.676  -2.508
  141    H    MET  19           HN       MET  19  51.695  22.394  -0.264
  142    HA   MET  19           HA       MET  19  51.138  20.710   1.777
  143    HB2  MET  19           HB2      MET  19  53.937  20.304   1.001
  144    HB3  MET  19           HB1      MET  19  53.786  20.784   2.696
  145    HG2  MET  19           HG2      MET  19  52.062  18.551   1.581
  146    HG3  MET  19           HG1      MET  19  53.725  18.244   2.132
  147    HE1  MET  19           HE1      MET  19  54.004  17.283   4.466
  148    HE2  MET  19           HE2      MET  19  52.615  16.515   3.659
  149    HE3  MET  19           HE3      MET  19  52.513  16.958   5.380
  150    H    ILE  20           HN       ILE  20  51.271  23.418   0.523
  151    HA   ILE  20           HA       ILE  20  51.297  25.591   1.367
  152    HB   ILE  20           HB       ILE  20  50.419  24.001   3.649
  153   HG12  ILE  20          HG12      ILE  20  49.433  26.258   4.378
  154   HG13  ILE  20          HG11      ILE  20  50.249  26.966   2.965
  155   HG21  ILE  20          HG21      ILE  20  52.327  26.240   4.467
  156   HG22  ILE  20          HG22      ILE  20  52.598  24.501   4.730
  157   HG23  ILE  20          HG23      ILE  20  51.260  25.327   5.557
  158   HD11  ILE  20           HD1      ILE  20  48.044  24.880   3.030
  159   HD12  ILE  20           HD2      ILE  20  49.062  25.103   1.588
  160   HD13  ILE  20           HD3      ILE  20  48.063  26.446   2.190
  161    H    GLN  21           HN       GLN  21  53.469  23.074   1.852
  162    HA   GLN  21           HA       GLN  21  55.726  24.947   2.665
  163    HB2  GLN  21           HB2      GLN  21  55.302  22.716   3.883
  164    HB3  GLN  21           HB1      GLN  21  55.832  21.918   2.384
  165    HG2  GLN  21           HG2      GLN  21  57.790  22.103   3.762
  166    HG3  GLN  21           HG1      GLN  21  57.947  23.360   2.512
  167   HE21  GLN  21          HE21      GLN  21  57.233  22.783   5.973
  168   HE22  GLN  21          HE22      GLN  21  57.423  24.472   6.456
  169    H    ASN  22           HN       ASN  22  54.648  22.556   0.220
  170    HA   ASN  22           HA       ASN  22  56.961  23.264  -1.517
  171    HB2  ASN  22           HB2      ASN  22  54.849  21.123  -1.420
  172    HB3  ASN  22           HB1      ASN  22  55.439  21.578  -3.037
  173   HD21  ASN  22          HD21      ASN  22  55.943  19.308  -0.702
  174   HD22  ASN  22          HD22      ASN  22  57.675  19.039  -0.916
  175    H    HIS  23           HN       HIS  23  53.685  24.127  -0.844
  176    HA   HIS  23           HA       HIS  23  52.548  24.952  -3.214
  177    HB2  HIS  23           HB2      HIS  23  51.599  25.359  -0.963
  178    HB3  HIS  23           HB1      HIS  23  52.783  26.663  -0.713
  179    HD1  HIS  23           HD1      HIS  23  52.166  27.009  -4.142
  180    HD2  HIS  23           HD2      HIS  23  49.779  27.771  -0.766
  181    HE1  HIS  23           HE1      HIS  23  50.372  28.687  -4.843
  182    H    HIS  24           HN       HIS  24  53.775  25.584  -4.927
  183    HA   HIS  24           HA       HIS  24  55.165  26.940  -6.201
  184    HB2  HIS  24           HB2      HIS  24  53.927  29.014  -4.351
  185    HB3  HIS  24           HB1      HIS  24  54.856  29.402  -5.819
  186    HD1  HIS  24           HD1      HIS  24  52.654  26.351  -5.799
  187    HD2  HIS  24           HD2      HIS  24  52.419  30.357  -7.056
  188    HE1  HIS  24           HE1      HIS  24  50.627  26.548  -7.343
  Start of MODEL   46
    1    H1   PHE   1           HT1      PHE   1  51.809   7.939   6.251
    2    H2   PHE   1           HT2      PHE   1  50.844   8.033   7.647
    3    H3   PHE   1           HT3      PHE   1  50.343   7.092   6.324
    4    HA   PHE   1           HA       PHE   1  52.538   6.598   8.213
    5    HB2  PHE   1           HB2      PHE   1  50.291   4.792   7.253
    6    HB3  PHE   1           HB1      PHE   1  51.375   4.544   8.643
    7    HD1  PHE   1           HD1      PHE   1  48.430   6.367   7.368
    8    HD2  PHE   1           HD2      PHE   1  51.142   5.904  10.694
    9    HE1  PHE   1           HE1      PHE   1  46.852   7.626   8.829
   10    HE2  PHE   1           HE2      PHE   1  49.565   7.163  12.155
   11    HZ   PHE   1           HZ       PHE   1  47.385   7.955  11.241
   12    H    LEU   2           HN       LEU   2  51.746   6.658   4.918
   13    HA   LEU   2           HA       LEU   2  53.158   4.231   4.120
   14    HB2  LEU   2           HB2      LEU   2  52.644   6.639   2.345
   15    HB3  LEU   2           HB1      LEU   2  52.719   4.917   1.897
   16    HG   LEU   2           HG       LEU   2  50.559   6.273   3.573
   17   HD11  LEU   2          HD11      LEU   2  50.499   4.931   0.833
   18   HD12  LEU   2          HD12      LEU   2  50.433   6.686   1.128
   19   HD13  LEU   2          HD13      LEU   2  49.102   5.640   1.677
   20   HD21  LEU   2          HD21      LEU   2  51.085   3.353   2.873
   21   HD22  LEU   2          HD22      LEU   2  49.472   3.943   3.344
   22   HD23  LEU   2          HD23      LEU   2  50.833   4.067   4.483
   23    H    GLY   3           HN       GLY   3  55.107   4.205   2.796
   24    HA2  GLY   3           HA1      GLY   3  56.880   6.507   2.815
   25    HA3  GLY   3           HA2      GLY   3  57.329   5.310   4.047
   26    H    ALA   4           HN       ALA   4  56.350   5.442   0.593
   27    HA   ALA   4           HA       ALA   4  58.802   4.149  -0.253
   28    HB1  ALA   4           HB1      ALA   4  57.812   2.038  -1.045
   29    HB2  ALA   4           HB2      ALA   4  56.264   2.479  -0.284
   30    HB3  ALA   4           HB3      ALA   4  57.698   2.182   0.725
   31    H    LEU   5           HN       LEU   5  55.340   4.693  -0.978
   32    HA   LEU   5           HA       LEU   5  55.790   4.865  -3.848
   33    HB2  LEU   5           HB2      LEU   5  53.440   6.051  -2.335
   34    HB3  LEU   5           HB1      LEU   5  53.485   5.428  -4.000
   35    HG   LEU   5           HG       LEU   5  53.818   3.772  -1.457
   36   HD11  LEU   5          HD11      LEU   5  51.638   2.835  -2.057
   37   HD12  LEU   5          HD12      LEU   5  51.583   3.830  -3.532
   38   HD13  LEU   5          HD13      LEU   5  51.501   4.605  -1.930
   39   HD21  LEU   5          HD21      LEU   5  55.135   2.714  -3.154
   40   HD22  LEU   5          HD22      LEU   5  53.949   3.092  -4.426
   41   HD23  LEU   5          HD23      LEU   5  53.576   1.863  -3.193
   42    H    ILE   6           HN       ILE   6  55.530   7.191  -1.163
   43    HA   ILE   6           HA       ILE   6  55.979   9.496  -1.076
   44    HB   ILE   6           HB       ILE   6  57.626   9.252  -3.641
   45   HG12  ILE   6          HG12      ILE   6  58.368   7.246  -2.624
   46   HG13  ILE   6          HG11      ILE   6  59.558   8.456  -2.109
   47   HG21  ILE   6          HG21      ILE   6  58.881  11.013  -2.756
   48   HG22  ILE   6          HG22      ILE   6  58.549  10.569  -1.071
   49   HG23  ILE   6          HG23      ILE   6  57.294  11.368  -2.040
   50   HD11  ILE   6           HD1      ILE   6  57.864   8.669  -0.001
   51   HD12  ILE   6           HD2      ILE   6  59.139   7.438  -0.053
   52   HD13  ILE   6           HD3      ILE   6  57.473   7.004  -0.477
   53    H    LYS   7           HN       LYS   7  56.693  10.972  -3.717
   54    HA   LYS   7           HA       LYS   7  55.354  12.475  -4.903
   55    HB2  LYS   7           HB2      LYS   7  54.694  10.263  -6.135
   56    HB3  LYS   7           HB1      LYS   7  53.237  10.282  -5.113
   57    HG2  LYS   7           HG2      LYS   7  52.831  12.666  -5.944
   58    HG3  LYS   7           HG1      LYS   7  54.120  12.383  -7.135
   59    HD2  LYS   7           HD2      LYS   7  51.643  10.625  -6.832
   60    HD3  LYS   7           HD1      LYS   7  51.802  11.932  -8.026
   61    HE2  LYS   7           HE2      LYS   7  53.963  10.722  -8.800
   62    HE3  LYS   7           HE1      LYS   7  53.373   9.337  -7.850
   63    HZ1  LYS   7           HZ1      LYS   7  51.579   9.046  -9.219
   64    HZ2  LYS   7           HZ2      LYS   7  52.726   9.598 -10.345
   65    HZ3  LYS   7           HZ3      LYS   7  51.547  10.661  -9.739
   66    H    GLY   8           HN       GLY   8  55.494  11.763  -2.295
   67    HA2  GLY   8           HA1      GLY   8  54.623  11.733  -0.251
   68    HA3  GLY   8           HA2      GLY   8  54.171  13.427  -0.684
   69    H    ALA   9           HN       ALA   9  53.139  10.085  -0.423
   70    HA   ALA   9           HA       ALA   9  51.065   9.115  -0.228
   71    HB1  ALA   9           HB1      ALA   9  50.973  10.572   1.758
   72    HB2  ALA   9           HB2      ALA   9  49.364  10.370   1.024
   73    HB3  ALA   9           HB3      ALA   9  50.278  11.875   0.767
   74    H    ILE  10           HN       ILE  10  51.646   9.834  -2.782
   75    HA   ILE  10           HA       ILE  10  50.590   9.973  -4.812
   76    HB   ILE  10           HB       ILE  10  48.427   9.277  -3.086
   77   HG12  ILE  10          HG12      ILE  10  49.154   8.132  -5.188
   78   HG13  ILE  10          HG11      ILE  10  47.396   8.355  -5.080
   79   HG21  ILE  10          HG21      ILE  10  47.561  11.598  -3.204
   80   HG22  ILE  10          HG22      ILE  10  46.466  10.441  -3.988
   81   HG23  ILE  10          HG23      ILE  10  47.502  11.492  -4.977
   82   HD11  ILE  10           HD1      ILE  10  47.356   9.972  -6.779
   83   HD12  ILE  10           HD2      ILE  10  48.698   8.947  -7.337
   84   HD13  ILE  10           HD3      ILE  10  49.038  10.475  -6.492
   85    H    HIS  11           HN       HIS  11  49.668  12.380  -2.374
   86    HA   HIS  11           HA       HIS  11  50.622  14.548  -4.020
   87    HB2  HIS  11           HB2      HIS  11  48.470  14.058  -5.209
   88    HB3  HIS  11           HB1      HIS  11  47.600  14.376  -3.690
   89    HD1  HIS  11           HD1      HIS  11  49.859  16.099  -6.246
   90    HD2  HIS  11           HD2      HIS  11  47.139  17.076  -3.194
   91    HE1  HIS  11           HE1      HIS  11  49.540  18.634  -6.294
   92    H    GLY  12           HN       GLY  12  49.258  13.135  -1.230
   93    HA2  GLY  12           HA1      GLY  12  50.323  14.477   0.781
   94    HA3  GLY  12           HA2      GLY  12  49.163  15.721   0.267
   95    H    GLY  13           HN       GLY  13  48.027  12.608  -0.407
   96    HA2  GLY  13           HA1      GLY  13  46.554  11.186   0.699
   97    HA3  GLY  13           HA2      GLY  13  46.906  12.023   2.224
   98    H    ARG  14           HN       ARG  14  45.199  12.405  -0.895
   99    HA   ARG  14           HA       ARG  14  42.770  13.226   0.456
  100    HB2  ARG  14           HB2      ARG  14  44.107  15.327   0.668
  101    HB3  ARG  14           HB1      ARG  14  44.271  15.372  -1.099
  102    HG2  ARG  14           HG2      ARG  14  42.437  16.847  -0.412
  103    HG3  ARG  14           HG1      ARG  14  41.774  15.465  -1.308
  104    HD2  ARG  14           HD2      ARG  14  40.819  14.510   0.616
  105    HD3  ARG  14           HD1      ARG  14  41.982  15.295   1.713
  106    HE   ARG  14           HE       ARG  14  40.438  17.336   0.466
  107   HH11  ARG  14          HH11      ARG  14  40.892  16.297   3.450
  108   HH12  ARG  14          HH12      ARG  14  39.240  16.267   3.968
  109   HH21  ARG  14          HH21      ARG  14  37.953  16.600   0.766
  110   HH22  ARG  14          HH22      ARG  14  37.576  16.439   2.449
  111    H    PHE  15           HN       PHE  15  44.742  13.077  -2.478
  112    HA   PHE  15           HA       PHE  15  42.389  13.053  -4.254
  113    HB2  PHE  15           HB2      PHE  15  44.662  13.961  -4.906
  114    HB3  PHE  15           HB1      PHE  15  45.267  12.287  -4.886
  115    HD1  PHE  15           HD1      PHE  15  44.587  10.674  -6.589
  116    HD2  PHE  15           HD2      PHE  15  42.986  14.681  -6.572
  117    HE1  PHE  15           HE1      PHE  15  43.695  10.326  -8.889
  118    HE2  PHE  15           HE2      PHE  15  42.093  14.333  -8.873
  119    HZ   PHE  15           HZ       PHE  15  42.523  12.186 -10.062
  120    H    ILE  16           HN       ILE  16  41.134  11.316  -3.507
  121    HA   ILE  16           HA       ILE  16  40.515   9.091  -3.300
  122    HB   ILE  16           HB       ILE  16  42.624   8.445  -5.394
  123   HG12  ILE  16          HG12      ILE  16  39.852   9.655  -5.804
  124   HG13  ILE  16          HG11      ILE  16  41.402  10.466  -6.128
  125   HG21  ILE  16          HG21      ILE  16  41.213   6.645  -4.218
  126   HG22  ILE  16          HG22      ILE  16  41.150   6.660  -5.995
  127   HG23  ILE  16          HG23      ILE  16  39.807   7.350  -5.052
  128   HD11  ILE  16           HD1      ILE  16  40.164   8.104  -7.582
  129   HD12  ILE  16           HD2      ILE  16  41.906   8.455  -7.702
  130   HD13  ILE  16           HD3      ILE  16  40.715   9.656  -8.253
  131    H    HIS  17           HN       HIS  17  41.964   9.768  -1.302
  132    HA   HIS  17           HA       HIS  17  43.846   7.461  -0.840
  133    HB2  HIS  17           HB2      HIS  17  45.153   9.576  -1.178
  134    HB3  HIS  17           HB1      HIS  17  44.242  10.316   0.160
  135    HD1  HIS  17           HD1      HIS  17  44.606   9.343   2.578
  136    HD2  HIS  17           HD2      HIS  17  47.178   7.797  -0.366
  137    HE1  HIS  17           HE1      HIS  17  46.479   8.090   3.784
  138    H    GLY  18           HN       GLY  18  42.370  10.257   0.904
  139    HA2  GLY  18           HA1      GLY  18  41.895   8.830   3.332
  140    HA3  GLY  18           HA2      GLY  18  40.959  10.241   2.765
  141    H    MET  19           HN       MET  19  39.762   9.615   0.631
  142    HA   MET  19           HA       MET  19  38.794   7.195   0.025
  143    HB2  MET  19           HB2      MET  19  37.678   7.841   2.625
  144    HB3  MET  19           HB1      MET  19  36.364   7.776   1.436
  145    HG2  MET  19           HG2      MET  19  37.037   5.519   0.765
  146    HG3  MET  19           HG1      MET  19  38.454   5.590   1.838
  147    HE1  MET  19           HE1      MET  19  34.014   5.365   2.887
  148    HE2  MET  19           HE2      MET  19  34.756   4.240   1.726
  149    HE3  MET  19           HE3      MET  19  34.798   5.992   1.419
  150    H    ILE  20           HN       ILE  20  39.063   8.301  -1.884
  151    HA   ILE  20           HA       ILE  20  38.221   9.529  -3.673
  152    HB   ILE  20           HB       ILE  20  35.511   9.712  -2.281
  153   HG12  ILE  20          HG12      ILE  20  36.704   7.319  -3.764
  154   HG13  ILE  20          HG11      ILE  20  36.184   7.362  -2.066
  155   HG21  ILE  20          HG21      ILE  20  36.090  10.864  -4.539
  156   HG22  ILE  20          HG22      ILE  20  34.640   9.840  -4.501
  157   HG23  ILE  20          HG23      ILE  20  36.146   9.224  -5.222
  158   HD11  ILE  20           HD1      ILE  20  34.374   6.333  -3.208
  159   HD12  ILE  20           HD2      ILE  20  34.466   7.480  -4.565
  160   HD13  ILE  20           HD3      ILE  20  33.848   8.019  -2.984
  161    H    GLN  21           HN       GLN  21  39.116  10.334  -0.968
  162    HA   GLN  21           HA       GLN  21  39.950  12.470  -0.279
  163    HB2  GLN  21           HB2      GLN  21  37.500  13.827  -1.501
  164    HB3  GLN  21           HB1      GLN  21  38.967  14.585  -0.872
  165    HG2  GLN  21           HG2      GLN  21  40.071  14.378  -2.870
  166    HG3  GLN  21           HG1      GLN  21  39.643  12.664  -3.022
  167   HE21  GLN  21          HE21      GLN  21  37.367  15.467  -2.808
  168   HE22  GLN  21          HE22      GLN  21  36.682  15.216  -4.418
  169    H    ASN  22           HN       ASN  22  38.300  10.401   0.700
  170    HA   ASN  22           HA       ASN  22  36.766   9.911   2.352
  171    HB2  ASN  22           HB2      ASN  22  38.653  10.632   3.656
  172    HB3  ASN  22           HB1      ASN  22  38.131  12.339   3.540
  173   HD21  ASN  22          HD21      ASN  22  38.262  11.841   6.093
  174   HD22  ASN  22          HD22      ASN  22  36.730  11.327   6.807
  175    H    HIS  23           HN       HIS  23  35.561  11.004   0.299
  176    HA   HIS  23           HA       HIS  23  33.942  13.325   1.064
  177    HB2  HIS  23           HB2      HIS  23  34.526  12.675  -1.302
  178    HB3  HIS  23           HB1      HIS  23  33.426  11.285  -1.135
  179    HD1  HIS  23           HD1      HIS  23  32.551  14.532   0.558
  180    HD2  HIS  23           HD2      HIS  23  31.640  12.549  -3.035
  181    HE1  HIS  23           HE1      HIS  23  30.517  15.696  -0.461
  182    H    HIS  24           HN       HIS  24  32.823  10.055   0.106
  183    HA   HIS  24           HA       HIS  24  31.344   9.657   2.578
  184    HB2  HIS  24           HB2      HIS  24  29.895  11.380   1.589
  185    HB3  HIS  24           HB1      HIS  24  29.776  10.435   0.084
  186    HD1  HIS  24           HD1      HIS  24  29.657   8.957   3.601
  187    HD2  HIS  24           HD2      HIS  24  27.066   9.721   0.379
  188    HE1  HIS  24           HE1      HIS  24  27.451   7.768   4.101
  Start of MODEL   47
    1    H1   PHE   1           HT1      PHE   1  57.819  -2.489  -8.121
    2    H2   PHE   1           HT2      PHE   1  56.483  -1.442  -8.203
    3    H3   PHE   1           HT3      PHE   1  57.060  -1.974  -6.696
    4    HA   PHE   1           HA       PHE   1  59.169  -0.853  -7.141
    5    HB2  PHE   1           HB2      PHE   1  57.615   0.431  -9.418
    6    HB3  PHE   1           HB1      PHE   1  59.315   0.710  -8.971
    7    HD1  PHE   1           HD1      PHE   1  57.126  -1.202 -11.067
    8    HD2  PHE   1           HD2      PHE   1  60.858  -1.429  -8.907
    9    HE1  PHE   1           HE1      PHE   1  57.842  -3.106 -12.504
   10    HE2  PHE   1           HE2      PHE   1  61.573  -3.334 -10.344
   11    HZ   PHE   1           HZ       PHE   1  60.032  -4.220 -12.090
   12    H    LEU   2           HN       LEU   2  59.430   1.473  -6.607
   13    HA   LEU   2           HA       LEU   2  57.350   2.258  -4.734
   14    HB2  LEU   2           HB2      LEU   2  59.939   3.516  -5.704
   15    HB3  LEU   2           HB1      LEU   2  58.846   4.382  -4.598
   16    HG   LEU   2           HG       LEU   2  58.971   2.479  -3.000
   17   HD11  LEU   2          HD11      LEU   2  60.922   0.820  -3.471
   18   HD12  LEU   2          HD12      LEU   2  60.778   1.341  -5.167
   19   HD13  LEU   2          HD13      LEU   2  59.397   0.568  -4.350
   20   HD21  LEU   2          HD21      LEU   2  60.565   4.409  -2.883
   21   HD22  LEU   2          HD22      LEU   2  61.716   3.487  -3.879
   22   HD23  LEU   2          HD23      LEU   2  61.272   2.900  -2.257
   23    H    GLY   3           HN       GLY   3  56.061   4.143  -4.758
   24    HA2  GLY   3           HA1      GLY   3  55.942   6.019  -6.870
   25    HA3  GLY   3           HA2      GLY   3  54.845   4.690  -7.295
   26    H    ALA   4           HN       ALA   4  53.673   3.932  -5.021
   27    HA   ALA   4           HA       ALA   4  51.875   6.163  -4.500
   28    HB1  ALA   4           HB1      ALA   4  50.992   3.919  -4.583
   29    HB2  ALA   4           HB2      ALA   4  50.803   4.532  -2.923
   30    HB3  ALA   4           HB3      ALA   4  52.106   3.382  -3.305
   31    H    LEU   5           HN       LEU   5  54.638   4.697  -2.880
   32    HA   LEU   5           HA       LEU   5  54.171   5.776  -0.265
   33    HB2  LEU   5           HB2      LEU   5  56.654   4.904  -1.780
   34    HB3  LEU   5           HB1      LEU   5  56.774   5.586  -0.143
   35    HG   LEU   5           HG       LEU   5  55.263   3.847   0.723
   36   HD11  LEU   5          HD11      LEU   5  54.737   1.901  -0.909
   37   HD12  LEU   5          HD12      LEU   5  55.123   3.051  -2.211
   38   HD13  LEU   5          HD13      LEU   5  53.783   3.390  -1.088
   39   HD21  LEU   5          HD21      LEU   5  57.451   2.632  -1.024
   40   HD22  LEU   5          HD22      LEU   5  56.767   1.932   0.462
   41   HD23  LEU   5          HD23      LEU   5  57.735   3.425   0.544
   42    H    ILE   6           HN       ILE   6  56.117   7.002  -3.025
   43    HA   ILE   6           HA       ILE   6  56.353   9.656  -1.606
   44    HB   ILE   6           HB       ILE   6  58.287   8.297  -2.879
   45   HG12  ILE   6          HG12      ILE   6  57.893  11.305  -3.249
   46   HG13  ILE   6          HG11      ILE   6  58.562  10.500  -1.815
   47   HG21  ILE   6          HG21      ILE   6  56.704   8.434  -5.066
   48   HG22  ILE   6          HG22      ILE   6  58.476   8.446  -5.180
   49   HG23  ILE   6          HG23      ILE   6  57.575   9.969  -5.283
   50   HD11  ILE   6           HD1      ILE   6  59.750  10.617  -4.613
   51   HD12  ILE   6           HD2      ILE   6  60.323   9.478  -3.372
   52   HD13  ILE   6           HD3      ILE   6  60.449  11.232  -3.098
   53    H    LYS   7           HN       LYS   7  56.595  11.066  -4.291
   54    HA   LYS   7           HA       LYS   7  55.071  12.502  -5.311
   55    HB2  LYS   7           HB2      LYS   7  53.707   9.812  -5.525
   56    HB3  LYS   7           HB1      LYS   7  52.658  11.234  -5.720
   57    HG2  LYS   7           HG2      LYS   7  53.510  10.484  -7.908
   58    HG3  LYS   7           HG1      LYS   7  54.162  12.090  -7.505
   59    HD2  LYS   7           HD2      LYS   7  56.289  11.169  -6.866
   60    HD3  LYS   7           HD1      LYS   7  55.656   9.506  -6.906
   61    HE2  LYS   7           HE2      LYS   7  55.799  11.342  -9.336
   62    HE3  LYS   7           HE1      LYS   7  57.028  10.118  -8.934
   63    HZ1  LYS   7           HZ1      LYS   7  54.280   9.176  -8.936
   64    HZ2  LYS   7           HZ2      LYS   7  55.684   8.449  -9.557
   65    HZ3  LYS   7           HZ3      LYS   7  54.876   9.644 -10.453
   66    H    GLY   8           HN       GLY   8  55.594  11.835  -2.742
   67    HA2  GLY   8           HA1      GLY   8  55.017  11.828  -0.594
   68    HA3  GLY   8           HA2      GLY   8  54.419  13.484  -0.992
   69    H    ALA   9           HN       ALA   9  53.605  10.086  -0.591
   70    HA   ALA   9           HA       ALA   9  51.630   9.021  -0.088
   71    HB1  ALA   9           HB1      ALA   9  50.644  11.721   0.880
   72    HB2  ALA   9           HB2      ALA   9  51.760  10.694   1.812
   73    HB3  ALA   9           HB3      ALA   9  50.124  10.109   1.423
   74    H    ILE  10           HN       ILE  10  51.830   9.553  -2.686
   75    HA   ILE  10           HA       ILE  10  50.546   9.592  -4.586
   76    HB   ILE  10           HB       ILE  10  48.555   9.092  -2.526
   77   HG12  ILE  10          HG12      ILE  10  49.246   7.630  -4.481
   78   HG13  ILE  10          HG11      ILE  10  47.498   7.736  -4.190
   79   HG21  ILE  10          HG21      ILE  10  46.511   9.999  -3.598
   80   HG22  ILE  10          HG22      ILE  10  47.514  10.963  -4.702
   81   HG23  ILE  10          HG23      ILE  10  47.562  11.278  -2.954
   82   HD11  ILE  10           HD1      ILE  10  48.821   9.630  -6.161
   83   HD12  ILE  10           HD2      ILE  10  47.128   9.089  -6.089
   84   HD13  ILE  10           HD3      ILE  10  48.396   7.975  -6.652
   85    H    HIS  11           HN       HIS  11  49.874  12.125  -2.189
   86    HA   HIS  11           HA       HIS  11  50.620  14.205  -4.028
   87    HB2  HIS  11           HB2      HIS  11  48.378  13.658  -4.991
   88    HB3  HIS  11           HB1      HIS  11  47.643  14.014  -3.410
   89    HD1  HIS  11           HD1      HIS  11  46.729  16.319  -3.277
   90    HD2  HIS  11           HD2      HIS  11  50.068  16.104  -5.825
   91    HE1  HIS  11           HE1      HIS  11  47.156  18.673  -4.174
   92    H    GLY  12           HN       GLY  12  49.520  12.933  -1.050
   93    HA2  GLY  12           HA1      GLY  12  50.772  14.411   0.764
   94    HA3  GLY  12           HA2      GLY  12  49.523  15.590   0.309
   95    H    GLY  13           HN       GLY  13  48.734  12.208   0.134
   96    HA2  GLY  13           HA1      GLY  13  47.245  10.934   1.365
   97    HA3  GLY  13           HA2      GLY  13  47.886  11.752   2.806
   98    H    ARG  14           HN       ARG  14  45.723  12.341   0.010
   99    HA   ARG  14           HA       ARG  14  43.524  13.073   1.746
  100    HB2  ARG  14           HB2      ARG  14  44.837  15.133   2.035
  101    HB3  ARG  14           HB1      ARG  14  44.964  15.321   0.273
  102    HG2  ARG  14           HG2      ARG  14  43.193  16.780   1.240
  103    HG3  ARG  14           HG1      ARG  14  42.517  15.602   0.099
  104    HD2  ARG  14           HD2      ARG  14  41.526  14.320   1.814
  105    HD3  ARG  14           HD1      ARG  14  42.639  14.940   3.059
  106    HE   ARG  14           HE       ARG  14  41.191  17.173   2.175
  107   HH11  ARG  14          HH11      ARG  14  38.694  16.311   1.861
  108   HH12  ARG  14          HH12      ARG  14  38.065  15.834   3.403
  109   HH21  ARG  14          HH21      ARG  14  41.184  15.594   4.898
  110   HH22  ARG  14          HH22      ARG  14  39.475  15.428   5.122
  111    H    PHE  15           HN       PHE  15  45.099  13.145  -1.419
  112    HA   PHE  15           HA       PHE  15  42.726  13.559  -2.982
  113    HB2  PHE  15           HB2      PHE  15  45.120  13.747  -3.787
  114    HB3  PHE  15           HB1      PHE  15  45.195  11.968  -3.776
  115    HD1  PHE  15           HD1      PHE  15  43.864  14.943  -5.482
  116    HD2  PHE  15           HD2      PHE  15  43.722  10.633  -5.285
  117    HE1  PHE  15           HE1      PHE  15  42.762  14.876  -7.717
  118    HE2  PHE  15           HE2      PHE  15  42.620  10.568  -7.518
  119    HZ   PHE  15           HZ       PHE  15  42.079  12.693  -8.702
  120    H    ILE  16           HN       ILE  16  44.006  10.825  -1.251
  121    HA   ILE  16           HA       ILE  16  42.496   8.822  -2.768
  122    HB   ILE  16           HB       ILE  16  43.697   8.516   0.019
  123   HG12  ILE  16          HG12      ILE  16  45.004   8.096  -2.710
  124   HG13  ILE  16          HG11      ILE  16  45.376   9.427  -1.590
  125   HG21  ILE  16          HG21      ILE  16  42.094   6.756  -0.971
  126   HG22  ILE  16          HG22      ILE  16  43.698   6.170  -0.482
  127   HG23  ILE  16          HG23      ILE  16  43.343   6.461  -2.202
  128   HD11  ILE  16           HD1      ILE  16  45.882   7.569   0.154
  129   HD12  ILE  16           HD2      ILE  16  47.061   7.812  -1.155
  130   HD13  ILE  16           HD3      ILE  16  45.910   6.459  -1.237
  131    H    HIS  17           HN       HIS  17  42.317   9.315   0.791
  132    HA   HIS  17           HA       HIS  17  39.476  10.060   0.650
  133    HB2  HIS  17           HB2      HIS  17  40.307   7.224   1.351
  134    HB3  HIS  17           HB1      HIS  17  38.813   7.932   2.007
  135    HD1  HIS  17           HD1      HIS  17  37.585   9.419  -0.265
  136    HD2  HIS  17           HD2      HIS  17  39.477   5.702  -0.793
  137    HE1  HIS  17           HE1      HIS  17  36.702   8.417  -2.443
  138    H    GLY  18           HN       GLY  18  41.909  11.099   1.775
  139    HA2  GLY  18           HA1      GLY  18  41.615  12.438   3.908
  140    HA3  GLY  18           HA2      GLY  18  41.340  10.879   4.723
  141    H    MET  19           HN       MET  19  43.091   9.306   3.414
  142    HA   MET  19           HA       MET  19  45.599   9.880   2.865
  143    HB2  MET  19           HB2      MET  19  46.351  11.268   4.555
  144    HB3  MET  19           HB1      MET  19  45.261  10.567   5.750
  145    HG2  MET  19           HG2      MET  19  46.732   8.762   6.209
  146    HG3  MET  19           HG1      MET  19  47.603   8.970   4.671
  147    HE1  MET  19           HE1      MET  19  49.437   8.454   6.330
  148    HE2  MET  19           HE2      MET  19  50.493   9.769   6.899
  149    HE3  MET  19           HE3      MET  19  50.164   9.579   5.160
  150    H    ILE  20           HN       ILE  20  45.191   8.046   1.804
  151    HA   ILE  20           HA       ILE  20  45.210   5.739   1.501
  152    HB   ILE  20           HB       ILE  20  46.367   5.410   4.311
  153   HG12  ILE  20          HG12      ILE  20  47.898   6.102   1.758
  154   HG13  ILE  20          HG11      ILE  20  47.635   7.211   3.118
  155   HG21  ILE  20          HG21      ILE  20  47.315   3.399   3.443
  156   HG22  ILE  20          HG22      ILE  20  47.048   3.895   1.756
  157   HG23  ILE  20          HG23      ILE  20  45.671   3.429   2.775
  158   HD11  ILE  20           HD1      ILE  20  49.278   4.661   3.059
  159   HD12  ILE  20           HD2      ILE  20  48.727   5.377   4.594
  160   HD13  ILE  20           HD3      ILE  20  49.794   6.301   3.511
  161    H    GLN  21           HN       GLN  21  43.312   7.493   2.910
  162    HA   GLN  21           HA       GLN  21  41.069   7.111   3.567
  163    HB2  GLN  21           HB2      GLN  21  41.581   4.527   2.950
  164    HB3  GLN  21           HB1      GLN  21  41.649   4.361   4.717
  165    HG2  GLN  21           HG2      GLN  21  39.324   5.499   3.094
  166    HG3  GLN  21           HG1      GLN  21  39.365   3.918   3.908
  167   HE21  GLN  21          HE21      GLN  21  38.852   3.831   6.133
  168   HE22  GLN  21          HE22      GLN  21  38.516   5.270   7.100
  169    H    ASN  22           HN       ASN  22  43.366   8.180   4.704
  170    HA   ASN  22           HA       ASN  22  44.345   8.788   6.693
  171    HB2  ASN  22           HB2      ASN  22  42.686   9.598   8.382
  172    HB3  ASN  22           HB1      ASN  22  42.412  10.172   6.711
  173   HD21  ASN  22          HD21      ASN  22  40.458   9.571   5.656
  174   HD22  ASN  22          HD22      ASN  22  39.232   8.554   6.419
  175    H    HIS  23           HN       HIS  23  45.002   6.438   6.449
  176    HA   HIS  23           HA       HIS  23  44.032   4.453   8.244
  177    HB2  HIS  23           HB2      HIS  23  45.675   4.027   6.442
  178    HB3  HIS  23           HB1      HIS  23  46.902   4.940   7.353
  179    HD1  HIS  23           HD1      HIS  23  47.858   3.878   9.535
  180    HD2  HIS  23           HD2      HIS  23  45.162   1.428   7.435
  181    HE1  HIS  23           HE1      HIS  23  48.016   1.535  10.542
  182    H    HIS  24           HN       HIS  24  47.137   6.166   8.761
  183    HA   HIS  24           HA       HIS  24  46.405   7.071  11.418
  184    HB2  HIS  24           HB2      HIS  24  46.590   4.660  11.911
  185    HB3  HIS  24           HB1      HIS  24  48.230   4.641  11.222
  186    HD1  HIS  24           HD1      HIS  24  46.393   5.213  14.347
  187    HD2  HIS  24           HD2      HIS  24  50.026   6.554  12.706
  188    HE1  HIS  24           HE1      HIS  24  47.813   6.112  16.271
  Start of MODEL   48
    1    H1   PHE   1           HT1      PHE   1  50.911  -2.206  -8.656
    2    H2   PHE   1           HT2      PHE   1  50.789  -0.532  -8.922
    3    H3   PHE   1           HT3      PHE   1  49.779  -1.292  -7.786
    4    HA   PHE   1           HA       PHE   1  51.214  -0.727  -6.258
    5    HB2  PHE   1           HB2      PHE   1  51.787  -3.145  -6.682
    6    HB3  PHE   1           HB1      PHE   1  53.116  -2.591  -7.729
    7    HD1  PHE   1           HD1      PHE   1  55.062  -1.410  -6.792
    8    HD2  PHE   1           HD2      PHE   1  51.865  -2.817  -4.258
    9    HE1  PHE   1           HE1      PHE   1  56.505  -1.079  -4.788
   10    HE2  PHE   1           HE2      PHE   1  53.309  -2.485  -2.252
   11    HZ   PHE   1           HZ       PHE   1  55.620  -1.592  -2.516
   12    H    LEU   2           HN       LEU   2  52.127   1.193  -6.019
   13    HA   LEU   2           HA       LEU   2  53.578   2.451  -8.218
   14    HB2  LEU   2           HB2      LEU   2  53.520   3.442  -5.349
   15    HB3  LEU   2           HB1      LEU   2  53.612   4.386  -6.856
   16    HG   LEU   2           HG       LEU   2  51.221   2.778  -5.854
   17   HD11  LEU   2          HD11      LEU   2  50.142   5.006  -5.756
   18   HD12  LEU   2          HD12      LEU   2  51.656   5.765  -6.303
   19   HD13  LEU   2          HD13      LEU   2  51.590   4.953  -4.722
   20   HD21  LEU   2          HD21      LEU   2  50.106   3.906  -7.890
   21   HD22  LEU   2          HD22      LEU   2  51.219   2.566  -8.246
   22   HD23  LEU   2          HD23      LEU   2  51.753   4.250  -8.470
   23    H    GLY   3           HN       GLY   3  55.752   3.336  -8.042
   24    HA2  GLY   3           HA1      GLY   3  57.673   1.354  -7.426
   25    HA3  GLY   3           HA2      GLY   3  58.019   3.076  -7.675
   26    H    ALA   4           HN       ALA   4  56.409   4.041  -5.484
   27    HA   ALA   4           HA       ALA   4  57.229   2.757  -3.027
   28    HB1  ALA   4           HB1      ALA   4  59.435   3.646  -3.875
   29    HB2  ALA   4           HB2      ALA   4  58.942   4.269  -2.282
   30    HB3  ALA   4           HB3      ALA   4  58.755   5.283  -3.733
   31    H    LEU   5           HN       LEU   5  56.558   3.935  -1.136
   32    HA   LEU   5           HA       LEU   5  54.152   5.481  -1.644
   33    HB2  LEU   5           HB2      LEU   5  55.590   5.278   1.023
   34    HB3  LEU   5           HB1      LEU   5  53.848   5.455   0.710
   35    HG   LEU   5           HG       LEU   5  55.568   3.013   0.090
   36   HD11  LEU   5          HD11      LEU   5  54.898   3.432   2.496
   37   HD12  LEU   5          HD12      LEU   5  54.249   1.923   1.811
   38   HD13  LEU   5          HD13      LEU   5  53.198   3.350   1.978
   39   HD21  LEU   5          HD21      LEU   5  52.669   3.705  -0.550
   40   HD22  LEU   5          HD22      LEU   5  53.243   2.021  -0.463
   41   HD23  LEU   5          HD23      LEU   5  53.937   3.135  -1.662
   42    H    ILE   6           HN       ILE   6  54.886   7.262  -2.889
   43    HA   ILE   6           HA       ILE   6  55.821   9.521  -1.163
   44    HB   ILE   6           HB       ILE   6  57.598  10.179  -2.783
   45   HG12  ILE   6          HG12      ILE   6  56.917   7.511  -4.107
   46   HG13  ILE   6          HG11      ILE   6  56.708   9.127  -4.820
   47   HG21  ILE   6          HG21      ILE   6  58.044   8.649  -0.780
   48   HG22  ILE   6          HG22      ILE   6  59.265   8.608  -2.072
   49   HG23  ILE   6          HG23      ILE   6  58.069   7.296  -1.936
   50   HD11  ILE   6           HD1      ILE   6  59.285   7.637  -4.223
   51   HD12  ILE   6           HD2      ILE   6  59.274   9.408  -4.415
   52   HD13  ILE   6           HD3      ILE   6  58.747   8.362  -5.755
   53    H    LYS   7           HN       LYS   7  56.432  11.060  -3.724
   54    HA   LYS   7           HA       LYS   7  55.116  12.669  -4.776
   55    HB2  LYS   7           HB2      LYS   7  53.364  10.200  -5.167
   56    HB3  LYS   7           HB1      LYS   7  52.807  11.808  -5.685
   57    HG2  LYS   7           HG2      LYS   7  54.837  12.053  -7.093
   58    HG3  LYS   7           HG1      LYS   7  55.378  10.435  -6.585
   59    HD2  LYS   7           HD2      LYS   7  53.318   9.443  -7.547
   60    HD3  LYS   7           HD1      LYS   7  52.785  11.060  -8.069
   61    HE2  LYS   7           HE2      LYS   7  54.889  11.264  -9.426
   62    HE3  LYS   7           HE1      LYS   7  55.296   9.590  -8.981
   63    HZ1  LYS   7           HZ1      LYS   7  53.011   9.021  -9.897
   64    HZ2  LYS   7           HZ2      LYS   7  54.210   9.432 -11.028
   65    HZ3  LYS   7           HZ3      LYS   7  53.013  10.562 -10.604
   66    H    GLY   8           HN       GLY   8  55.324  11.814  -2.217
   67    HA2  GLY   8           HA1      GLY   8  54.530  11.717  -0.146
   68    HA3  GLY   8           HA2      GLY   8  54.090  13.435  -0.485
   69    H    ALA   9           HN       ALA   9  52.993  10.080  -0.533
   70    HA   ALA   9           HA       ALA   9  50.897   9.139  -0.379
   71    HB1  ALA   9           HB1      ALA   9  49.324  10.198   1.147
   72    HB2  ALA   9           HB2      ALA   9  50.185  11.749   1.007
   73    HB3  ALA   9           HB3      ALA   9  50.973  10.360   1.794
   74    H    ILE  10           HN       ILE  10  51.102   9.673  -2.807
   75    HA   ILE  10           HA       ILE  10  49.987  10.165  -4.746
   76    HB   ILE  10           HB       ILE  10  47.768  10.272  -2.731
   77   HG12  ILE  10          HG12      ILE  10  48.533   8.312  -4.256
   78   HG13  ILE  10          HG11      ILE  10  46.790   8.606  -4.084
   79   HG21  ILE  10          HG21      ILE  10  47.106  12.331  -3.715
   80   HG22  ILE  10          HG22      ILE  10  46.108  11.088  -4.500
   81   HG23  ILE  10          HG23      ILE  10  47.506  11.773  -5.359
   82   HD11  ILE  10           HD1      ILE  10  48.379   9.835  -6.374
   83   HD12  ILE  10           HD2      ILE  10  46.623   9.584  -6.247
   84   HD13  ILE  10           HD3      ILE  10  47.706   8.193  -6.477
   85    H    HIS  11           HN       HIS  11  48.847  12.699  -2.444
   86    HA   HIS  11           HA       HIS  11  50.476  14.715  -3.842
   87    HB2  HIS  11           HB2      HIS  11  48.412  14.541  -5.256
   88    HB3  HIS  11           HB1      HIS  11  47.437  14.947  -3.824
   89    HD1  HIS  11           HD1      HIS  11  50.746  16.453  -5.086
   90    HD2  HIS  11           HD2      HIS  11  46.785  17.606  -4.271
   91    HE1  HIS  11           HE1      HIS  11  50.621  18.991  -5.352
   92    H    GLY  12           HN       GLY  12  49.237  13.319  -1.180
   93    HA2  GLY  12           HA1      GLY  12  50.175  14.700   0.852
   94    HA3  GLY  12           HA2      GLY  12  48.903  15.852   0.391
   95    H    GLY  13           HN       GLY  13  47.504  13.165  -0.546
   96    HA2  GLY  13           HA1      GLY  13  46.855  11.692   1.793
   97    HA3  GLY  13           HA2      GLY  13  45.692  13.027   1.647
   98    H    ARG  14           HN       ARG  14  44.537  13.263  -0.388
   99    HA   ARG  14           HA       ARG  14  44.481  10.982  -2.165
  100    HB2  ARG  14           HB2      ARG  14  43.014  10.388  -0.090
  101    HB3  ARG  14           HB1      ARG  14  41.856  11.530  -0.801
  102    HG2  ARG  14           HG2      ARG  14  43.041   9.191  -2.366
  103    HG3  ARG  14           HG1      ARG  14  41.551   9.054  -1.415
  104    HD2  ARG  14           HD2      ARG  14  40.683  11.082  -2.758
  105    HD3  ARG  14           HD1      ARG  14  42.062  10.801  -3.846
  106    HE   ARG  14           HE       ARG  14  40.870   8.980  -4.725
  107   HH11  ARG  14          HH11      ARG  14  39.739   6.999  -4.323
  108   HH12  ARG  14          HH12      ARG  14  38.514   7.003  -3.099
  109   HH21  ARG  14          HH21      ARG  14  39.314  10.169  -1.934
  110   HH22  ARG  14          HH22      ARG  14  38.273   8.797  -1.746
  111    H    PHE  15           HN       PHE  15  45.018  12.504  -3.712
  112    HA   PHE  15           HA       PHE  15  44.579  14.144  -5.301
  113    HB2  PHE  15           HB2      PHE  15  41.796  13.095  -4.687
  114    HB3  PHE  15           HB1      PHE  15  41.984  14.510  -5.746
  115    HD1  PHE  15           HD1      PHE  15  43.874  11.256  -5.288
  116    HD2  PHE  15           HD2      PHE  15  41.851  13.917  -8.025
  117    HE1  PHE  15           HE1      PHE  15  44.443   9.745  -7.180
  118    HE2  PHE  15           HE2      PHE  15  42.425  12.402  -9.915
  119    HZ   PHE  15           HZ       PHE  15  43.685  10.296  -9.487
  120    H    ILE  16           HN       ILE  16  41.672  14.743  -3.311
  121    HA   ILE  16           HA       ILE  16  42.340  17.541  -3.033
  122    HB   ILE  16           HB       ILE  16  40.494  15.896  -1.236
  123   HG12  ILE  16          HG12      ILE  16  40.008  17.244  -3.933
  124   HG13  ILE  16          HG11      ILE  16  39.850  15.514  -3.557
  125   HG21  ILE  16          HG21      ILE  16  39.446  18.006  -0.742
  126   HG22  ILE  16          HG22      ILE  16  40.341  18.834  -2.037
  127   HG23  ILE  16          HG23      ILE  16  41.193  18.284  -0.576
  128   HD11  ILE  16           HD1      ILE  16  37.617  16.322  -3.511
  129   HD12  ILE  16           HD2      ILE  16  38.082  17.817  -2.665
  130   HD13  ILE  16           HD3      ILE  16  38.085  16.263  -1.796
  131    H    HIS  17           HN       HIS  17  41.979  15.095  -0.382
  132    HA   HIS  17           HA       HIS  17  44.705  15.385   0.505
  133    HB2  HIS  17           HB2      HIS  17  43.849  17.711   1.046
  134    HB3  HIS  17           HB1      HIS  17  42.726  16.955   2.196
  135    HD1  HIS  17           HD1      HIS  17  43.735  15.789   4.315
  136    HD2  HIS  17           HD2      HIS  17  46.529  17.820   1.917
  137    HE1  HIS  17           HE1      HIS  17  45.903  15.963   5.654
  138    H    GLY  18           HN       GLY  18  43.454  12.981   0.268
  139    HA2  GLY  18           HA1      GLY  18  43.593  11.218   2.002
  140    HA3  GLY  18           HA2      GLY  18  42.831  12.317   3.164
  141    H    MET  19           HN       MET  19  41.002  13.400   1.322
  142    HA   MET  19           HA       MET  19  39.313  12.399  -0.175
  143    HB2  MET  19           HB2      MET  19  39.337  10.091   0.384
  144    HB3  MET  19           HB1      MET  19  38.947  10.428   2.074
  145    HG2  MET  19           HG2      MET  19  36.713  11.122   1.518
  146    HG3  MET  19           HG1      MET  19  37.099  11.163  -0.219
  147    HE1  MET  19           HE1      MET  19  36.339   7.552   2.500
  148    HE2  MET  19           HE2      MET  19  35.502   9.121   2.575
  149    HE3  MET  19           HE3      MET  19  37.240   9.021   2.940
  150    H    ILE  20           HN       ILE  20  38.748  14.460  -0.140
  151    HA   ILE  20           HA       ILE  20  37.391  16.255   0.458
  152    HB   ILE  20           HB       ILE  20  35.852  14.457   2.387
  153   HG12  ILE  20          HG12      ILE  20  35.871  13.067   0.462
  154   HG13  ILE  20          HG11      ILE  20  34.339  13.948   0.348
  155   HG21  ILE  20          HG21      ILE  20  35.146  16.731   2.487
  156   HG22  ILE  20          HG22      ILE  20  33.931  15.910   1.490
  157   HG23  ILE  20          HG23      ILE  20  35.176  16.920   0.724
  158   HD11  ILE  20           HD1      ILE  20  36.870  14.300  -1.281
  159   HD12  ILE  20           HD2      ILE  20  35.729  15.651  -1.118
  160   HD13  ILE  20           HD3      ILE  20  35.193  14.121  -1.841
  161    H    GLN  21           HN       GLN  21  39.690  14.984   1.851
  162    HA   GLN  21           HA       GLN  21  41.103  15.848   3.547
  163    HB2  GLN  21           HB2      GLN  21  39.352  17.858   3.759
  164    HB3  GLN  21           HB1      GLN  21  38.759  16.935   5.158
  165    HG2  GLN  21           HG2      GLN  21  40.404  18.449   6.020
  166    HG3  GLN  21           HG1      GLN  21  41.190  16.853   5.969
  167   HE21  GLN  21          HE21      GLN  21  40.548  19.172   3.256
  168   HE22  GLN  21          HE22      GLN  21  42.253  19.350   2.824
  169    H    ASN  22           HN       ASN  22  39.670  13.499   3.006
  170    HA   ASN  22           HA       ASN  22  38.882  11.557   3.930
  171    HB2  ASN  22           HB2      ASN  22  41.163  11.232   4.326
  172    HB3  ASN  22           HB1      ASN  22  41.158  12.292   5.768
  173   HD21  ASN  22          HD21      ASN  22  41.301  11.051   7.647
  174   HD22  ASN  22          HD22      ASN  22  40.488   9.500   7.884
  175    H    HIS  23           HN       HIS  23  36.999  12.989   4.225
  176    HA   HIS  23           HA       HIS  23  36.265  13.732   6.941
  177    HB2  HIS  23           HB2      HIS  23  35.258  14.684   4.838
  178    HB3  HIS  23           HB1      HIS  23  34.429  13.127   4.590
  179    HD1  HIS  23           HD1      HIS  23  32.318  12.674   5.913
  180    HD2  HIS  23           HD2      HIS  23  34.366  16.108   7.214
  181    HE1  HIS  23           HE1      HIS  23  30.834  13.839   7.637
  182    H    HIS  24           HN       HIS  24  35.750  12.449   8.578
  183    HA   HIS  24           HA       HIS  24  35.552   9.632   8.394
  184    HB2  HIS  24           HB2      HIS  24  35.969  10.875  10.497
  185    HB3  HIS  24           HB1      HIS  24  34.290  11.466  10.472
  186    HD1  HIS  24           HD1      HIS  24  32.441   9.894  11.244
  187    HD2  HIS  24           HD2      HIS  24  36.208   8.041  11.007
  188    HE1  HIS  24           HE1      HIS  24  32.213   7.570  12.282
  Start of MODEL   49
    1    H1   PHE   1           HT1      PHE   1  60.383   3.073   3.382
    2    H2   PHE   1           HT2      PHE   1  61.338   3.645   2.098
    3    H3   PHE   1           HT3      PHE   1  60.729   2.059   2.069
    4    HA   PHE   1           HA       PHE   1  59.625   4.205   0.882
    5    HB2  PHE   1           HB2      PHE   1  58.410   1.569   1.799
    6    HB3  PHE   1           HB1      PHE   1  57.636   2.677   0.639
    7    HD1  PHE   1           HD1      PHE   1  58.500   2.944  -1.623
    8    HD2  PHE   1           HD2      PHE   1  60.534   0.423   1.230
    9    HE1  PHE   1           HE1      PHE   1  59.879   1.978  -3.460
   10    HE2  PHE   1           HE2      PHE   1  61.913  -0.543  -0.608
   11    HZ   PHE   1           HZ       PHE   1  61.582   0.232  -2.953
   12    H    LEU   2           HN       LEU   2  58.185   5.761   1.322
   13    HA   LEU   2           HA       LEU   2  57.393   6.161   4.115
   14    HB2  LEU   2           HB2      LEU   2  56.376   7.749   1.736
   15    HB3  LEU   2           HB1      LEU   2  56.640   8.292   3.411
   16    HG   LEU   2           HG       LEU   2  58.790   7.518   1.388
   17   HD11  LEU   2          HD11      LEU   2  58.106  10.166   2.743
   18   HD12  LEU   2          HD12      LEU   2  57.738   9.749   1.053
   19   HD13  LEU   2          HD13      LEU   2  59.429   9.894   1.586
   20   HD21  LEU   2          HD21      LEU   2  60.320   8.403   3.266
   21   HD22  LEU   2          HD22      LEU   2  59.589   6.804   3.537
   22   HD23  LEU   2          HD23      LEU   2  58.916   8.239   4.347
   23    H    GLY   3           HN       GLY   3  56.307   3.823   3.702
   24    HA2  GLY   3           HA1      GLY   3  54.324   2.632   3.570
   25    HA3  GLY   3           HA2      GLY   3  53.585   4.106   4.225
   26    H    ALA   4           HN       ALA   4  55.214   4.316   1.171
   27    HA   ALA   4           HA       ALA   4  52.954   3.630  -0.500
   28    HB1  ALA   4           HB1      ALA   4  53.435   6.584   0.043
   29    HB2  ALA   4           HB2      ALA   4  51.995   5.649   0.511
   30    HB3  ALA   4           HB3      ALA   4  52.356   5.924  -1.209
   31    H    LEU   5           HN       LEU   5  54.007   6.373  -1.915
   32    HA   LEU   5           HA       LEU   5  56.659   5.421  -2.817
   33    HB2  LEU   5           HB2      LEU   5  55.956   5.471  -5.229
   34    HB3  LEU   5           HB1      LEU   5  55.294   4.102  -4.311
   35    HG   LEU   5           HG       LEU   5  53.616   6.627  -4.429
   36   HD11  LEU   5          HD11      LEU   5  53.854   4.662  -6.752
   37   HD12  LEU   5          HD12      LEU   5  54.374   6.365  -6.771
   38   HD13  LEU   5          HD13      LEU   5  52.648   5.964  -6.606
   39   HD21  LEU   5          HD21      LEU   5  52.812   4.660  -3.165
   40   HD22  LEU   5          HD22      LEU   5  52.996   3.637  -4.607
   41   HD23  LEU   5          HD23      LEU   5  51.782   4.937  -4.586
   42    H    ILE   6           HN       ILE   6  56.424   7.603  -1.415
   43    HA   ILE   6           HA       ILE   6  56.562   9.947  -1.385
   44    HB   ILE   6           HB       ILE   6  57.644   9.868  -4.243
   45   HG12  ILE   6          HG12      ILE   6  59.003   8.652  -1.792
   46   HG13  ILE   6          HG11      ILE   6  58.519   7.793  -3.274
   47   HG21  ILE   6          HG21      ILE   6  59.094  11.575  -3.453
   48   HG22  ILE   6          HG22      ILE   6  58.885  11.101  -1.750
   49   HG23  ILE   6          HG23      ILE   6  57.564  11.917  -2.615
   50   HD11  ILE   6           HD1      ILE   6  60.690   9.895  -2.949
   51   HD12  ILE   6           HD2      ILE   6  60.044   9.437  -4.544
   52   HD13  ILE   6           HD3      ILE   6  60.856   8.222  -3.528
   53    H    LYS   7           HN       LYS   7  56.575  11.509  -4.053
   54    HA   LYS   7           HA       LYS   7  54.901  12.910  -4.879
   55    HB2  LYS   7           HB2      LYS   7  53.086  10.448  -4.781
   56    HB3  LYS   7           HB1      LYS   7  52.844  11.906  -5.772
   57    HG2  LYS   7           HG2      LYS   7  55.071  11.378  -6.898
   58    HG3  LYS   7           HG1      LYS   7  55.034   9.809  -6.058
   59    HD2  LYS   7           HD2      LYS   7  52.832   9.313  -7.102
   60    HD3  LYS   7           HD1      LYS   7  52.903  10.866  -7.969
   61    HE2  LYS   7           HE2      LYS   7  55.046   8.713  -8.202
   62    HE3  LYS   7           HE1      LYS   7  53.675   8.862  -9.328
   63    HZ1  LYS   7           HZ1      LYS   7  54.506  11.335  -9.409
   64    HZ2  LYS   7           HZ2      LYS   7  55.223  10.140 -10.380
   65    HZ3  LYS   7           HZ3      LYS   7  55.982  10.641  -8.945
   66    H    GLY   8           HN       GLY   8  55.601  12.139  -2.380
   67    HA2  GLY   8           HA1      GLY   8  55.163  11.995  -0.210
   68    HA3  GLY   8           HA2      GLY   8  54.468  13.641  -0.479
   69    H    ALA   9           HN       ALA   9  53.811  10.186  -0.317
   70    HA   ALA   9           HA       ALA   9  51.943   8.993   0.281
   71    HB1  ALA   9           HB1      ALA   9  50.471   9.904   1.915
   72    HB2  ALA   9           HB2      ALA   9  50.800  11.574   1.394
   73    HB3  ALA   9           HB3      ALA   9  52.059  10.638   2.235
   74    H    ILE  10           HN       ILE  10  51.715   9.002  -2.116
   75    HA   ILE  10           HA       ILE  10  50.325   9.022  -3.949
   76    HB   ILE  10           HB       ILE  10  48.336   9.566  -1.733
   77   HG12  ILE  10          HG12      ILE  10  47.243   7.583  -2.734
   78   HG13  ILE  10          HG11      ILE  10  48.441   7.590  -4.050
   79   HG21  ILE  10          HG21      ILE  10  47.407  11.159  -3.224
   80   HG22  ILE  10          HG22      ILE  10  46.491   9.668  -3.542
   81   HG23  ILE  10          HG23      ILE  10  47.787  10.170  -4.655
   82   HD11  ILE  10           HD1      ILE  10  50.249   7.140  -2.513
   83   HD12  ILE  10           HD2      ILE  10  48.948   5.986  -2.135
   84   HD13  ILE  10           HD3      ILE  10  49.197   7.416  -1.105
   85    H    HIS  11           HN       HIS  11  49.153  11.894  -2.129
   86    HA   HIS  11           HA       HIS  11  50.518  13.688  -4.035
   87    HB2  HIS  11           HB2      HIS  11  48.373  13.063  -5.195
   88    HB3  HIS  11           HB1      HIS  11  47.479  13.716  -3.801
   89    HD1  HIS  11           HD1      HIS  11  50.654  15.278  -5.213
   90    HD2  HIS  11           HD2      HIS  11  46.519  16.036  -5.072
   91    HE1  HIS  11           HE1      HIS  11  50.281  17.635  -6.125
   92    H    GLY  12           HN       GLY  12  49.596  12.767  -1.076
   93    HA2  GLY  12           HA1      GLY  12  50.361  14.175   0.799
   94    HA3  GLY  12           HA2      GLY  12  49.650  15.588  -0.002
   95    H    GLY  13           HN       GLY  13  48.204  12.351   0.296
   96    HA2  GLY  13           HA1      GLY  13  46.133  11.754   1.156
   97    HA3  GLY  13           HA2      GLY  13  46.669  12.649   2.590
   98    H    ARG  14           HN       ARG  14  45.168  13.086  -0.630
   99    HA   ARG  14           HA       ARG  14  43.073  14.747   0.526
  100    HB2  ARG  14           HB2      ARG  14  45.067  16.331   0.363
  101    HB3  ARG  14           HB1      ARG  14  44.988  16.118  -1.397
  102    HG2  ARG  14           HG2      ARG  14  43.718  18.091  -0.964
  103    HG3  ARG  14           HG1      ARG  14  42.515  16.817  -1.242
  104    HD2  ARG  14           HD2      ARG  14  41.919  16.707   1.043
  105    HD3  ARG  14           HD1      ARG  14  43.451  17.431   1.586
  106    HE   ARG  14           HE       ARG  14  41.071  18.887   0.821
  107   HH11  ARG  14          HH11      ARG  14  43.052  19.953   2.743
  108   HH12  ARG  14          HH12      ARG  14  43.834  21.203   1.834
  109   HH21  ARG  14          HH21      ARG  14  42.706  20.044  -1.234
  110   HH22  ARG  14          HH22      ARG  14  43.637  21.255  -0.416
  111    H    PHE  15           HN       PHE  15  44.862  13.613  -2.327
  112    HA   PHE  15           HA       PHE  15  42.913  14.135  -4.305
  113    HB2  PHE  15           HB2      PHE  15  45.282  13.216  -4.603
  114    HB3  PHE  15           HB1      PHE  15  44.616  11.618  -4.193
  115    HD1  PHE  15           HD1      PHE  15  43.803  10.276  -5.970
  116    HD2  PHE  15           HD2      PHE  15  43.882  14.569  -6.433
  117    HE1  PHE  15           HE1      PHE  15  43.003  10.040  -8.315
  118    HE2  PHE  15           HE2      PHE  15  43.081  14.329  -8.778
  119    HZ   PHE  15           HZ       PHE  15  42.575  12.069  -9.696
  120    H    ILE  16           HN       ILE  16  43.264  11.327  -2.111
  121    HA   ILE  16           HA       ILE  16  40.367  10.837  -2.291
  122    HB   ILE  16           HB       ILE  16  40.719   8.388  -2.909
  123   HG12  ILE  16          HG12      ILE  16  43.441   9.496  -3.759
  124   HG13  ILE  16          HG11      ILE  16  43.154   8.262  -2.514
  125   HG21  ILE  16          HG21      ILE  16  41.577  10.279  -5.138
  126   HG22  ILE  16          HG22      ILE  16  39.918  10.264  -4.495
  127   HG23  ILE  16          HG23      ILE  16  40.585   8.809  -5.262
  128   HD11  ILE  16           HD1      ILE  16  42.801   8.035  -5.519
  129   HD12  ILE  16           HD2      ILE  16  41.977   6.911  -4.409
  130   HD13  ILE  16           HD3      ILE  16  43.754   7.002  -4.429
  131    H    HIS  17           HN       HIS  17  41.351  11.674  -0.097
  132    HA   HIS  17           HA       HIS  17  41.152   9.389   1.711
  133    HB2  HIS  17           HB2      HIS  17  43.583   9.318   1.056
  134    HB3  HIS  17           HB1      HIS  17  43.761  10.960   1.721
  135    HD1  HIS  17           HD1      HIS  17  41.785   7.983   3.134
  136    HD2  HIS  17           HD2      HIS  17  44.938  10.554   4.192
  137    HE1  HIS  17           HE1      HIS  17  42.480   7.395   5.521
  138    H    GLY  18           HN       GLY  18  41.206  12.677   0.854
  139    HA2  GLY  18           HA1      GLY  18  40.052  13.417   3.512
  140    HA3  GLY  18           HA2      GLY  18  41.371  14.392   2.829
  141    H    MET  19           HN       MET  19  38.563  12.765   1.385
  142    HA   MET  19           HA       MET  19  36.968  15.106   0.857
  143    HB2  MET  19           HB2      MET  19  38.812  15.645  -0.541
  144    HB3  MET  19           HB1      MET  19  38.725  14.057  -1.286
  145    HG2  MET  19           HG2      MET  19  36.580  14.557  -2.295
  146    HG3  MET  19           HG1      MET  19  36.441  16.059  -1.356
  147    HE1  MET  19           HE1      MET  19  36.478  15.088  -4.611
  148    HE2  MET  19           HE2      MET  19  37.034  16.601  -5.363
  149    HE3  MET  19           HE3      MET  19  35.792  16.646  -4.090
  150    H    ILE  20           HN       ILE  20  38.151  12.115  -0.778
  151    HA   ILE  20           HA       ILE  20  35.415  11.236  -1.373
  152    HB   ILE  20           HB       ILE  20  38.141   9.846  -1.285
  153   HG12  ILE  20          HG12      ILE  20  37.805   9.587  -3.662
  154   HG13  ILE  20          HG11      ILE  20  36.094  10.053  -3.537
  155   HG21  ILE  20          HG21      ILE  20  36.862   7.795  -2.161
  156   HG22  ILE  20          HG22      ILE  20  35.381   8.585  -1.568
  157   HG23  ILE  20          HG23      ILE  20  36.673   8.144  -0.426
  158   HD11  ILE  20           HD1      ILE  20  36.631  12.333  -3.083
  159   HD12  ILE  20           HD2      ILE  20  37.732  11.857  -4.398
  160   HD13  ILE  20           HD3      ILE  20  38.331  11.949  -2.726
  161    H    GLN  21           HN       GLN  21  37.384  11.847   1.180
  162    HA   GLN  21           HA       GLN  21  35.818  10.220   3.125
  163    HB2  GLN  21           HB2      GLN  21  38.303   9.680   2.954
  164    HB3  GLN  21           HB1      GLN  21  38.624  11.348   3.484
  165    HG2  GLN  21           HG2      GLN  21  37.211  10.916   5.522
  166    HG3  GLN  21           HG1      GLN  21  37.064   9.217   5.010
  167   HE21  GLN  21          HE21      GLN  21  39.102   7.914   4.882
  168   HE22  GLN  21          HE22      GLN  21  40.484   8.396   5.873
  169    H    ASN  22           HN       ASN  22  37.027  13.509   1.977
  170    HA   ASN  22           HA       ASN  22  35.538  14.599   4.449
  171    HB2  ASN  22           HB2      ASN  22  37.700  16.023   2.870
  172    HB3  ASN  22           HB1      ASN  22  36.901  16.573   4.353
  173   HD21  ASN  22          HD21      ASN  22  39.649  16.400   4.500
  174   HD22  ASN  22          HD22      ASN  22  40.117  14.980   5.442
  175    H    HIS  23           HN       HIS  23  34.505  13.805   1.717
  176    HA   HIS  23           HA       HIS  23  33.009  14.666   0.169
  177    HB2  HIS  23           HB2      HIS  23  31.856  15.221   2.358
  178    HB3  HIS  23           HB1      HIS  23  32.542  16.857   2.228
  179    HD1  HIS  23           HD1      HIS  23  30.921  14.570  -0.414
  180    HD2  HIS  23           HD2      HIS  23  30.431  18.381   1.291
  181    HE1  HIS  23           HE1      HIS  23  29.045  15.740  -1.692
  182    H    HIS  24           HN       HIS  24  32.429  16.547  -1.230
  183    HA   HIS  24           HA       HIS  24  34.825  17.769  -2.231
  184    HB2  HIS  24           HB2      HIS  24  32.822  17.303  -3.618
  185    HB3  HIS  24           HB1      HIS  24  31.922  18.548  -2.719
  186    HD1  HIS  24           HD1      HIS  24  34.764  18.089  -5.194
  187    HD2  HIS  24           HD2      HIS  24  32.671  21.228  -3.336
  188    HE1  HIS  24           HE1      HIS  24  35.384  20.247  -6.415
  Start of MODEL   50
    1    H1   PHE   1           HT1      PHE   1  58.085   3.364 -13.146
    2    H2   PHE   1           HT2      PHE   1  56.722   4.311 -13.511
    3    H3   PHE   1           HT3      PHE   1  57.128   2.984 -14.492
    4    HA   PHE   1           HA       PHE   1  55.241   2.751 -12.823
    5    HB2  PHE   1           HB2      PHE   1  57.522   0.737 -12.964
    6    HB3  PHE   1           HB1      PHE   1  55.845   0.382 -12.483
    7    HD1  PHE   1           HD1      PHE   1  58.129   0.938 -15.284
    8    HD2  PHE   1           HD2      PHE   1  53.970   0.736 -14.143
    9    HE1  PHE   1           HE1      PHE   1  57.485   0.669 -17.675
   10    HE2  PHE   1           HE2      PHE   1  53.328   0.465 -16.535
   11    HZ   PHE   1           HZ       PHE   1  55.079   0.522 -18.306
   12    H    LEU   2           HN       LEU   2  55.608   4.389 -11.140
   13    HA   LEU   2           HA       LEU   2  57.518   3.837  -9.017
   14    HB2  LEU   2           HB2      LEU   2  55.140   5.697  -9.319
   15    HB3  LEU   2           HB1      LEU   2  56.018   5.571  -7.784
   16    HG   LEU   2           HG       LEU   2  56.748   7.450  -9.372
   17   HD11  LEU   2          HD11      LEU   2  59.017   7.323  -8.715
   18   HD12  LEU   2          HD12      LEU   2  59.049   5.549  -8.784
   19   HD13  LEU   2          HD13      LEU   2  58.168   6.373  -7.479
   20   HD21  LEU   2          HD21      LEU   2  58.102   5.180 -10.893
   21   HD22  LEU   2          HD22      LEU   2  58.114   6.914 -11.285
   22   HD23  LEU   2          HD23      LEU   2  56.608   5.979 -11.438
   23    H    GLY   3           HN       GLY   3  57.242   2.860  -7.058
   24    HA2  GLY   3           HA1      GLY   3  55.178   0.847  -6.900
   25    HA3  GLY   3           HA2      GLY   3  56.357   1.255  -5.639
   26    H    ALA   4           HN       ALA   4  54.767   4.040  -6.639
   27    HA   ALA   4           HA       ALA   4  53.227   5.390  -5.552
   28    HB1  ALA   4           HB1      ALA   4  51.078   4.429  -5.092
   29    HB2  ALA   4           HB2      ALA   4  51.776   2.800  -4.927
   30    HB3  ALA   4           HB3      ALA   4  51.734   3.595  -6.520
   31    H    LEU   5           HN       LEU   5  54.980   5.750  -3.956
   32    HA   LEU   5           HA       LEU   5  53.907   5.353  -1.266
   33    HB2  LEU   5           HB2      LEU   5  56.234   4.296  -0.543
   34    HB3  LEU   5           HB1      LEU   5  54.936   3.252  -1.167
   35    HG   LEU   5           HG       LEU   5  55.932   3.257  -3.399
   36   HD11  LEU   5          HD11      LEU   5  57.854   5.259  -2.147
   37   HD12  LEU   5          HD12      LEU   5  56.872   5.442  -3.621
   38   HD13  LEU   5          HD13      LEU   5  58.270   4.345  -3.617
   39   HD21  LEU   5          HD21      LEU   5  57.996   2.034  -2.889
   40   HD22  LEU   5          HD22      LEU   5  56.759   1.639  -1.671
   41   HD23  LEU   5          HD23      LEU   5  58.069   2.777  -1.274
   42    H    ILE   6           HN       ILE   6  54.901   7.380  -3.324
   43    HA   ILE   6           HA       ILE   6  56.386   9.046  -1.319
   44    HB   ILE   6           HB       ILE   6  58.027   7.738  -2.955
   45   HG12  ILE   6          HG12      ILE   6  59.320  10.091  -3.273
   46   HG13  ILE   6          HG11      ILE   6  58.025  10.679  -2.206
   47   HG21  ILE   6          HG21      ILE   6  56.446   8.656  -4.970
   48   HG22  ILE   6          HG22      ILE   6  58.177   8.317  -5.187
   49   HG23  ILE   6          HG23      ILE   6  57.630   9.984  -4.925
   50   HD11  ILE   6           HD1      ILE   6  58.625   8.656  -0.686
   51   HD12  ILE   6           HD2      ILE   6  59.758  10.027  -0.722
   52   HD13  ILE   6           HD3      ILE   6  60.117   8.552  -1.649
   53    H    LYS   7           HN       LYS   7  57.001  10.993  -3.584
   54    HA   LYS   7           HA       LYS   7  55.890  12.969  -4.112
   55    HB2  LYS   7           HB2      LYS   7  53.499  11.113  -4.602
   56    HB3  LYS   7           HB1      LYS   7  53.587  12.820  -5.091
   57    HG2  LYS   7           HG2      LYS   7  55.286  12.397  -6.703
   58    HG3  LYS   7           HG1      LYS   7  55.674  10.805  -6.009
   59    HD2  LYS   7           HD2      LYS   7  54.384  10.524  -8.084
   60    HD3  LYS   7           HD1      LYS   7  53.420   9.981  -6.690
   61    HE2  LYS   7           HE2      LYS   7  52.089  11.971  -6.707
   62    HE3  LYS   7           HE1      LYS   7  53.210  12.800  -7.814
   63    HZ1  LYS   7           HZ1      LYS   7  52.657  11.058  -9.480
   64    HZ2  LYS   7           HZ2      LYS   7  51.341  12.048  -9.060
   65    HZ3  LYS   7           HZ3      LYS   7  51.459  10.475  -8.430
   66    H    GLY   8           HN       GLY   8  56.159  11.542  -1.828
   67    HA2  GLY   8           HA1      GLY   8  55.562  11.126   0.268
   68    HA3  GLY   8           HA2      GLY   8  55.401  12.924   0.337
   69    H    ALA   9           HN       ALA   9  53.690   9.939  -0.502
   70    HA   ALA   9           HA       ALA   9  51.553   9.232  -0.048
   71    HB1  ALA   9           HB1      ALA   9  50.928  11.805   1.429
   72    HB2  ALA   9           HB2      ALA   9  51.970  10.565   2.161
   73    HB3  ALA   9           HB3      ALA   9  50.297  10.166   1.706
   74    H    ILE  10           HN       ILE  10  51.574   9.623  -2.384
   75    HA   ILE  10           HA       ILE  10  50.862  10.699  -4.324
   76    HB   ILE  10           HB       ILE  10  48.329  10.957  -4.411
   77   HG12  ILE  10          HG12      ILE  10  48.226  11.401  -1.829
   78   HG13  ILE  10          HG11      ILE  10  46.947  10.452  -2.584
   79   HG21  ILE  10          HG21      ILE  10  49.800   8.416  -3.683
   80   HG22  ILE  10          HG22      ILE  10  49.054   8.900  -5.219
   81   HG23  ILE  10          HG23      ILE  10  48.030   8.365  -3.869
   82   HD11  ILE  10           HD1      ILE  10  48.167   9.617  -0.328
   83   HD12  ILE  10           HD2      ILE  10  49.305   8.918  -1.493
   84   HD13  ILE  10           HD3      ILE  10  47.593   8.469  -1.554
   85    H    HIS  11           HN       HIS  11  48.177  12.485  -3.497
   86    HA   HIS  11           HA       HIS  11  49.662  14.982  -3.969
   87    HB2  HIS  11           HB2      HIS  11  46.726  14.336  -3.486
   88    HB3  HIS  11           HB1      HIS  11  47.334  15.993  -3.716
   89    HD1  HIS  11           HD1      HIS  11  46.191  16.344  -6.009
   90    HD2  HIS  11           HD2      HIS  11  48.875  13.111  -5.902
   91    HE1  HIS  11           HE1      HIS  11  46.542  15.564  -8.417
   92    H    GLY  12           HN       GLY  12  50.436  13.583  -1.582
   93    HA2  GLY  12           HA1      GLY  12  50.860  14.066   0.640
   94    HA3  GLY  12           HA2      GLY  12  50.424  15.746   0.269
   95    H    GLY  13           HN       GLY  13  48.506  12.728   0.166
   96    HA2  GLY  13           HA1      GLY  13  46.572  12.147   1.298
   97    HA3  GLY  13           HA2      GLY  13  47.068  13.258   2.592
   98    H    ARG  14           HN       ARG  14  45.864  13.374  -0.792
   99    HA   ARG  14           HA       ARG  14  43.589  15.013   0.033
  100    HB2  ARG  14           HB2      ARG  14  45.298  16.764   0.033
  101    HB3  ARG  14           HB1      ARG  14  45.847  16.271  -1.584
  102    HG2  ARG  14           HG2      ARG  14  44.363  18.290  -1.631
  103    HG3  ARG  14           HG1      ARG  14  43.699  16.936  -2.567
  104    HD2  ARG  14           HD2      ARG  14  42.031  16.480  -0.952
  105    HD3  ARG  14           HD1      ARG  14  42.919  17.319   0.345
  106    HE   ARG  14           HE       ARG  14  41.103  18.559  -1.565
  107   HH11  ARG  14          HH11      ARG  14  43.916  18.937   0.394
  108   HH12  ARG  14          HH12      ARG  14  43.757  20.657   0.522
  109   HH21  ARG  14          HH21      ARG  14  40.888  20.804  -1.418
  110   HH22  ARG  14          HH22      ARG  14  42.044  21.714  -0.503
  111    H    PHE  15           HN       PHE  15  45.490  13.210  -2.219
  112    HA   PHE  15           HA       PHE  15  44.207  13.629  -4.672
  113    HB2  PHE  15           HB2      PHE  15  46.097  12.005  -4.167
  114    HB3  PHE  15           HB1      PHE  15  44.861  10.874  -3.568
  115    HD1  PHE  15           HD1      PHE  15  45.612  13.050  -6.556
  116    HD2  PHE  15           HD2      PHE  15  43.854   9.381  -5.108
  117    HE1  PHE  15           HE1      PHE  15  45.142  12.348  -8.899
  118    HE2  PHE  15           HE2      PHE  15  43.387   8.681  -7.452
  119    HZ   PHE  15           HZ       PHE  15  44.074  10.142  -9.349
  120    H    ILE  16           HN       ILE  16  42.902  12.353  -1.735
  121    HA   ILE  16           HA       ILE  16  40.270  11.938  -3.107
  122    HB   ILE  16           HB       ILE  16  41.289   9.998  -0.985
  123   HG12  ILE  16          HG12      ILE  16  41.377   9.755  -4.027
  124   HG13  ILE  16          HG11      ILE  16  42.776   9.810  -2.930
  125   HG21  ILE  16          HG21      ILE  16  39.395   8.674  -1.651
  126   HG22  ILE  16          HG22      ILE  16  39.108   9.683  -3.088
  127   HG23  ILE  16          HG23      ILE  16  38.793  10.337  -1.463
  128   HD11  ILE  16           HD1      ILE  16  42.497   7.496  -3.356
  129   HD12  ILE  16           HD2      ILE  16  40.724   7.601  -3.277
  130   HD13  ILE  16           HD3      ILE  16  41.690   7.723  -1.786
  131    H    HIS  17           HN       HIS  17  41.509  11.343   0.228
  132    HA   HIS  17           HA       HIS  17  40.354  13.815   1.242
  133    HB2  HIS  17           HB2      HIS  17  38.853  11.193   1.585
  134    HB3  HIS  17           HB1      HIS  17  38.721  12.493   2.791
  135    HD1  HIS  17           HD1      HIS  17  37.606  11.452  -0.620
  136    HD2  HIS  17           HD2      HIS  17  37.458  14.894   1.791
  137    HE1  HIS  17           HE1      HIS  17  35.957  13.073  -1.706
  138    H    GLY  18           HN       GLY  18  42.632  13.786   1.845
  139    HA2  GLY  18           HA1      GLY  18  44.282  13.492   3.454
  140    HA3  GLY  18           HA2      GLY  18  43.013  12.955   4.555
  141    H    MET  19           HN       MET  19  43.676  11.340   1.516
  142    HA   MET  19           HA       MET  19  44.548   9.239   1.271
  143    HB2  MET  19           HB2      MET  19  46.374  10.222   2.878
  144    HB3  MET  19           HB1      MET  19  45.651   9.062   4.013
  145    HG2  MET  19           HG2      MET  19  46.064   7.220   2.418
  146    HG3  MET  19           HG1      MET  19  46.763   8.374   1.256
  147    HE1  MET  19           HE1      MET  19  48.387   6.038   1.779
  148    HE2  MET  19           HE2      MET  19  49.988   6.633   2.282
  149    HE3  MET  19           HE3      MET  19  49.103   7.455   0.974
  150    H    ILE  20           HN       ILE  20  42.180  10.063   3.197
  151    HA   ILE  20           HA       ILE  20  40.489   8.830   4.205
  152    HB   ILE  20           HB       ILE  20  41.598   6.317   2.861
  153   HG12  ILE  20          HG12      ILE  20  41.225   8.305   1.234
  154   HG13  ILE  20          HG11      ILE  20  40.400   6.781   0.862
  155   HG21  ILE  20          HG21      ILE  20  39.121   5.729   2.879
  156   HG22  ILE  20          HG22      ILE  20  38.872   7.151   3.917
  157   HG23  ILE  20          HG23      ILE  20  39.906   5.814   4.472
  158   HD11  ILE  20           HD1      ILE  20  38.991   8.925   0.666
  159   HD12  ILE  20           HD2      ILE  20  39.046   9.005   2.439
  160   HD13  ILE  20           HD3      ILE  20  38.294   7.608   1.636
  161    H    GLN  21           HN       GLN  21  43.810   8.324   4.375
  162    HA   GLN  21           HA       GLN  21  43.541   6.716   6.946
  163    HB2  GLN  21           HB2      GLN  21  44.914   5.765   4.985
  164    HB3  GLN  21           HB1      GLN  21  46.054   7.099   5.270
  165    HG2  GLN  21           HG2      GLN  21  46.500   6.337   7.526
  166    HG3  GLN  21           HG1      GLN  21  45.189   5.135   7.440
  167   HE21  GLN  21          HE21      GLN  21  48.525   5.850   6.491
  168   HE22  GLN  21          HE22      GLN  21  48.849   4.263   5.786
  169    H    ASN  22           HN       ASN  22  43.843   9.823   5.711
  170    HA   ASN  22           HA       ASN  22  45.267  10.714   8.203
  171    HB2  ASN  22           HB2      ASN  22  46.340  10.944   5.619
  172    HB3  ASN  22           HB1      ASN  22  45.484  12.493   5.799
  173   HD21  ASN  22          HD21      ASN  22  46.484  14.111   7.045
  174   HD22  ASN  22          HD22      ASN  22  47.926  13.834   8.029
  175    H    HIS  23           HN       HIS  23  42.838  10.946   5.661
  176    HA   HIS  23           HA       HIS  23  40.944  12.351   5.517
  177    HB2  HIS  23           HB2      HIS  23  39.555  12.326   7.612
  178    HB3  HIS  23           HB1      HIS  23  40.148  10.724   7.115
  179    HD1  HIS  23           HD1      HIS  23  40.575  13.411   9.745
  180    HD2  HIS  23           HD2      HIS  23  42.161   9.625   8.830
  181    HE1  HIS  23           HE1      HIS  23  41.879  12.617  11.793
  182    H    HIS  24           HN       HIS  24  41.749  14.360   4.949
  183    HA   HIS  24           HA       HIS  24  42.274  16.603   5.241
  184    HB2  HIS  24           HB2      HIS  24  39.910  16.532   6.083
  185    HB3  HIS  24           HB1      HIS  24  40.549  16.336   7.734
  186    HD1  HIS  24           HD1      HIS  24  42.872  18.418   5.912
  187    HD2  HIS  24           HD2      HIS  24  39.223  19.067   7.899
  188    HE1  HIS  24           HE1      HIS  24  42.678  20.928   6.347
  Start of MODEL   51
    1    H1   PHE   1           HT1      PHE   1  59.705   3.749 -10.887
    2    H2   PHE   1           HT2      PHE   1  59.755   4.175 -12.532
    3    H3   PHE   1           HT3      PHE   1  60.198   2.610 -12.040
    4    HA   PHE   1           HA       PHE   1  57.714   3.537 -12.822
    5    HB2  PHE   1           HB2      PHE   1  58.802   1.296 -13.216
    6    HB3  PHE   1           HB1      PHE   1  58.462   0.893 -11.517
    7    HD1  PHE   1           HD1      PHE   1  56.774   2.134 -14.648
    8    HD2  PHE   1           HD2      PHE   1  56.357  -0.043 -10.942
    9    HE1  PHE   1           HE1      PHE   1  54.451   1.497 -15.282
   10    HE2  PHE   1           HE2      PHE   1  54.034  -0.681 -11.580
   11    HZ   PHE   1           HZ       PHE   1  53.092   0.063 -13.763
   12    H    LEU   2           HN       LEU   2  59.109   3.654  -9.744
   13    HA   LEU   2           HA       LEU   2  56.844   2.954  -8.109
   14    HB2  LEU   2           HB2      LEU   2  58.954   5.025  -7.411
   15    HB3  LEU   2           HB1      LEU   2  58.043   3.964  -6.312
   16    HG   LEU   2           HG       LEU   2  60.139   3.097  -8.352
   17   HD11  LEU   2          HD11      LEU   2  61.444   2.471  -6.387
   18   HD12  LEU   2          HD12      LEU   2  60.103   2.923  -5.307
   19   HD13  LEU   2          HD13      LEU   2  60.962   4.177  -6.234
   20   HD21  LEU   2          HD21      LEU   2  59.773   0.832  -7.132
   21   HD22  LEU   2          HD22      LEU   2  58.532   1.331  -8.304
   22   HD23  LEU   2          HD23      LEU   2  58.239   1.530  -6.558
   23    H    GLY   3           HN       GLY   3  55.245   4.197  -7.161
   24    HA2  GLY   3           HA1      GLY   3  55.049   7.043  -7.521
   25    HA3  GLY   3           HA2      GLY   3  54.068   6.209  -8.742
   26    H    ALA   4           HN       ALA   4  54.758   6.000  -5.220
   27    HA   ALA   4           HA       ALA   4  51.990   6.459  -4.525
   28    HB1  ALA   4           HB1      ALA   4  51.484   4.204  -3.643
   29    HB2  ALA   4           HB2      ALA   4  52.996   3.597  -4.360
   30    HB3  ALA   4           HB3      ALA   4  51.689   4.199  -5.410
   31    H    LEU   5           HN       LEU   5  54.992   4.755  -3.552
   32    HA   LEU   5           HA       LEU   5  54.632   5.233  -0.734
   33    HB2  LEU   5           HB2      LEU   5  57.008   4.542  -2.491
   34    HB3  LEU   5           HB1      LEU   5  57.222   4.859  -0.754
   35    HG   LEU   5           HG       LEU   5  55.582   3.088  -0.216
   36   HD11  LEU   5          HD11      LEU   5  54.942   1.538  -2.190
   37   HD12  LEU   5          HD12      LEU   5  55.409   2.890  -3.250
   38   HD13  LEU   5          HD13      LEU   5  54.086   3.092  -2.076
   39   HD21  LEU   5          HD21      LEU   5  57.701   2.120  -2.189
   40   HD22  LEU   5          HD22      LEU   5  56.970   1.177  -0.867
   41   HD23  LEU   5          HD23      LEU   5  58.023   2.564  -0.496
   42    H    ILE   6           HN       ILE   6  55.441   7.288  -3.351
   43    HA   ILE   6           HA       ILE   6  56.275   9.446  -1.378
   44    HB   ILE   6           HB       ILE   6  57.340   9.535  -4.241
   45   HG12  ILE   6          HG12      ILE   6  59.471   8.318  -3.131
   46   HG13  ILE   6          HG11      ILE   6  58.230   7.550  -2.118
   47   HG21  ILE   6          HG21      ILE   6  58.732  10.221  -1.624
   48   HG22  ILE   6          HG22      ILE   6  57.576  11.335  -2.390
   49   HG23  ILE   6          HG23      ILE   6  59.056  10.856  -3.254
   50   HD11  ILE   6           HD1      ILE   6  58.428   6.063  -3.946
   51   HD12  ILE   6           HD2      ILE   6  58.616   7.382  -5.124
   52   HD13  ILE   6           HD3      ILE   6  57.023   7.050  -4.409
   53    H    LYS   7           HN       LYS   7  56.510  11.239  -3.847
   54    HA   LYS   7           HA       LYS   7  55.037  12.910  -4.542
   55    HB2  LYS   7           HB2      LYS   7  54.042  10.847  -5.870
   56    HB3  LYS   7           HB1      LYS   7  52.795  10.840  -4.608
   57    HG2  LYS   7           HG2      LYS   7  51.777  12.237  -6.191
   58    HG3  LYS   7           HG1      LYS   7  52.608  13.437  -5.187
   59    HD2  LYS   7           HD2      LYS   7  53.168  14.063  -7.410
   60    HD3  LYS   7           HD1      LYS   7  54.603  13.193  -6.832
   61    HE2  LYS   7           HE2      LYS   7  54.137  11.289  -8.157
   62    HE3  LYS   7           HE1      LYS   7  52.415  11.698  -8.324
   63    HZ1  LYS   7           HZ1      LYS   7  53.697  12.150 -10.342
   64    HZ2  LYS   7           HZ2      LYS   7  54.665  13.257  -9.491
   65    HZ3  LYS   7           HZ3      LYS   7  53.007  13.563  -9.704
   66    H    GLY   8           HN       GLY   8  55.652  11.839  -2.134
   67    HA2  GLY   8           HA1      GLY   8  55.179  11.534   0.024
   68    HA3  GLY   8           HA2      GLY   8  54.725  13.278  -0.083
   69    H    ALA   9           HN       ALA   9  53.469  10.000  -0.655
   70    HA   ALA   9           HA       ALA   9  51.478   9.026  -0.031
   71    HB1  ALA   9           HB1      ALA   9  50.194   9.869   1.739
   72    HB2  ALA   9           HB2      ALA   9  50.511  11.565   1.307
   73    HB3  ALA   9           HB3      ALA   9  51.791  10.582   2.056
   74    H    ILE  10           HN       ILE  10  51.382   9.305  -2.403
   75    HA   ILE  10           HA       ILE  10  50.431  10.175  -4.359
   76    HB   ILE  10           HB       ILE  10  47.850   9.811  -4.282
   77   HG12  ILE  10          HG12      ILE  10  47.947  10.017  -1.630
   78   HG13  ILE  10          HG11      ILE  10  46.839   8.872  -2.390
   79   HG21  ILE  10          HG21      ILE  10  48.183   7.312  -4.221
   80   HG22  ILE  10          HG22      ILE  10  49.855   7.600  -3.678
   81   HG23  ILE  10          HG23      ILE  10  49.321   8.188  -5.267
   82   HD11  ILE  10           HD1      ILE  10  49.616   8.081  -1.395
   83   HD12  ILE  10           HD2      ILE  10  48.297   7.006  -1.902
   84   HD13  ILE  10           HD3      ILE  10  48.144   7.960  -0.413
   85    H    HIS  11           HN       HIS  11  47.488  11.176  -2.830
   86    HA   HIS  11           HA       HIS  11  47.140  13.563  -4.079
   87    HB2  HIS  11           HB2      HIS  11  45.786  14.304  -2.157
   88    HB3  HIS  11           HB1      HIS  11  45.509  12.585  -2.530
   89    HD1  HIS  11           HD1      HIS  11  46.180  10.839  -0.789
   90    HD2  HIS  11           HD2      HIS  11  47.450  14.724   0.202
   91    HE1  HIS  11           HE1      HIS  11  47.017  10.774   1.624
   92    H    GLY  12           HN       GLY  12  49.633  12.973  -1.726
   93    HA2  GLY  12           HA1      GLY  12  50.088  15.444  -0.554
   94    HA3  GLY  12           HA2      GLY  12  51.387  14.373  -1.111
   95    H    GLY  13           HN       GLY  13  50.046  14.761  -3.909
   96    HA2  GLY  13           HA1      GLY  13  50.761  17.557  -4.513
   97    HA3  GLY  13           HA2      GLY  13  51.872  16.334  -5.168
   98    H    ARG  14           HN       ARG  14  49.468  14.435  -5.287
   99    HA   ARG  14           HA       ARG  14  48.772  15.090  -8.050
  100    HB2  ARG  14           HB2      ARG  14  49.022  12.752  -6.695
  101    HB3  ARG  14           HB1      ARG  14  47.270  12.967  -6.518
  102    HG2  ARG  14           HG2      ARG  14  48.816  12.979  -9.156
  103    HG3  ARG  14           HG1      ARG  14  47.819  11.642  -8.541
  104    HD2  ARG  14           HD2      ARG  14  45.908  13.470  -8.433
  105    HD3  ARG  14           HD1      ARG  14  46.945  14.345  -9.588
  106    HE   ARG  14           HE       ARG  14  46.570  11.595 -10.409
  107   HH11  ARG  14          HH11      ARG  14  46.248  12.406 -12.757
  108   HH12  ARG  14          HH12      ARG  14  44.701  13.146 -13.001
  109   HH21  ARG  14          HH21      ARG  14  44.058  13.539  -9.616
  110   HH22  ARG  14          HH22      ARG  14  43.461  13.787 -11.223
  111    H    PHE  15           HN       PHE  15  47.420  15.613  -4.877
  112    HA   PHE  15           HA       PHE  15  44.702  15.817  -5.201
  113    HB2  PHE  15           HB2      PHE  15  46.008  16.461  -3.161
  114    HB3  PHE  15           HB1      PHE  15  46.405  18.006  -3.950
  115    HD1  PHE  15           HD1      PHE  15  43.538  15.847  -2.847
  116    HD2  PHE  15           HD2      PHE  15  44.843  19.816  -3.938
  117    HE1  PHE  15           HE1      PHE  15  41.344  16.771  -2.117
  118    HE2  PHE  15           HE2      PHE  15  42.648  20.738  -3.204
  119    HZ   PHE  15           HZ       PHE  15  40.906  19.219  -2.273
  120    H    ILE  16           HN       ILE  16  46.931  18.550  -5.961
  121    HA   ILE  16           HA       ILE  16  44.793  19.941  -7.408
  122    HB   ILE  16           HB       ILE  16  47.774  20.594  -7.418
  123   HG12  ILE  16          HG12      ILE  16  45.589  21.489  -5.476
  124   HG13  ILE  16          HG11      ILE  16  46.895  20.346  -5.088
  125   HG21  ILE  16          HG21      ILE  16  47.064  22.797  -8.040
  126   HG22  ILE  16          HG22      ILE  16  45.366  22.448  -7.644
  127   HG23  ILE  16          HG23      ILE  16  46.121  21.702  -9.072
  128   HD11  ILE  16           HD1      ILE  16  47.658  22.451  -4.279
  129   HD12  ILE  16           HD2      ILE  16  47.120  23.304  -5.744
  130   HD13  ILE  16           HD3      ILE  16  48.523  22.210  -5.812
  131    H    HIS  17           HN       HIS  17  48.114  19.376  -8.682
  132    HA   HIS  17           HA       HIS  17  47.105  17.649 -10.829
  133    HB2  HIS  17           HB2      HIS  17  46.254  19.854 -11.591
  134    HB3  HIS  17           HB1      HIS  17  47.913  20.490 -11.561
  135    HD1  HIS  17           HD1      HIS  17  45.831  17.743 -13.240
  136    HD2  HIS  17           HD2      HIS  17  49.440  19.823 -13.810
  137    HE1  HIS  17           HE1      HIS  17  46.711  17.120 -15.556
  138    H    GLY  18           HN       GLY  18  49.233  17.939  -8.749
  139    HA2  GLY  18           HA1      GLY  18  51.299  16.488  -9.458
  140    HA3  GLY  18           HA2      GLY  18  51.713  17.932 -10.419
  141    H    MET  19           HN       MET  19  51.016  19.956  -8.994
  142    HA   MET  19           HA       MET  19  51.331  20.142  -6.324
  143    HB2  MET  19           HB2      MET  19  53.914  19.345  -7.386
  144    HB3  MET  19           HB1      MET  19  54.050  20.987  -6.730
  145    HG2  MET  19           HG2      MET  19  53.007  20.162  -4.595
  146    HG3  MET  19           HG1      MET  19  53.035  18.513  -5.263
  147    HE1  MET  19           HE1      MET  19  54.253  19.320  -2.581
  148    HE2  MET  19           HE2      MET  19  55.872  18.578  -2.566
  149    HE3  MET  19           HE3      MET  19  54.479  17.665  -3.197
  150    H    ILE  20           HN       ILE  20  49.807  21.620  -6.947
  151    HA   ILE  20           HA       ILE  20  49.129  23.791  -7.459
  152    HB   ILE  20           HB       ILE  20  52.038  24.714  -7.475
  153   HG12  ILE  20          HG12      ILE  20  50.255  24.170  -5.052
  154   HG13  ILE  20          HG11      ILE  20  51.804  23.383  -5.426
  155   HG21  ILE  20          HG21      ILE  20  50.010  26.215  -8.102
  156   HG22  ILE  20          HG22      ILE  20  51.126  26.835  -6.869
  157   HG23  ILE  20          HG23      ILE  20  49.568  26.125  -6.383
  158   HD11  ILE  20           HD1      ILE  20  51.307  26.256  -4.581
  159   HD12  ILE  20           HD2      ILE  20  52.824  25.768  -5.377
  160   HD13  ILE  20           HD3      ILE  20  52.361  25.042  -3.819
  161    H    GLN  21           HN       GLN  21  50.325  21.622  -9.103
  162    HA   GLN  21           HA       GLN  21  50.115  21.297 -11.458
  163    HB2  GLN  21           HB2      GLN  21  49.313  23.811 -11.660
  164    HB3  GLN  21           HB1      GLN  21  51.019  24.148 -12.035
  165    HG2  GLN  21           HG2      GLN  21  50.936  22.467 -13.869
  166    HG3  GLN  21           HG1      GLN  21  49.218  22.170 -13.507
  167   HE21  GLN  21          HE21      GLN  21  47.651  23.874 -14.001
  168   HE22  GLN  21          HE22      GLN  21  48.092  25.213 -15.065
  169    H    ASN  22           HN       ASN  22  52.066  21.130  -9.414
  170    HA   ASN  22           HA       ASN  22  54.318  20.848  -9.065
  171    HB2  ASN  22           HB2      ASN  22  53.871  18.956 -10.467
  172    HB3  ASN  22           HB1      ASN  22  54.082  19.940 -11.945
  173   HD21  ASN  22          HD21      ASN  22  55.968  18.878 -12.783
  174   HD22  ASN  22          HD22      ASN  22  57.511  18.886 -11.922
  175    H    HIS  23           HN       HIS  23  53.778  23.375  -9.254
  176    HA   HIS  23           HA       HIS  23  54.733  25.450  -9.715
  177    HB2  HIS  23           HB2      HIS  23  57.237  23.882 -10.432
  178    HB3  HIS  23           HB1      HIS  23  57.135  25.562  -9.852
  179    HD1  HIS  23           HD1      HIS  23  54.674  24.303  -7.823
  180    HD2  HIS  23           HD2      HIS  23  58.822  23.616  -7.896
  181    HE1  HIS  23           HE1      HIS  23  55.338  23.403  -5.526
  182    H    HIS  24           HN       HIS  24  56.342  26.574 -11.482
  183    HA   HIS  24           HA       HIS  24  54.844  26.364 -13.957
  184    HB2  HIS  24           HB2      HIS  24  57.495  27.777 -13.479
  185    HB3  HIS  24           HB1      HIS  24  56.306  28.116 -14.760
  186    HD1  HIS  24           HD1      HIS  24  57.037  28.674 -11.114
  187    HD2  HIS  24           HD2      HIS  24  53.876  29.369 -13.802
  188    HE1  HIS  24           HE1      HIS  24  55.426  30.308  -9.990
  Start of MODEL   52
    1    H1   PHE   1           HT1      PHE   1  59.211   1.871   2.471
    2    H2   PHE   1           HT2      PHE   1  59.304   0.643   1.301
    3    H3   PHE   1           HT3      PHE   1  58.523   0.354   2.782
    4    HA   PHE   1           HA       PHE   1  56.967   0.678   0.974
    5    HB2  PHE   1           HB2      PHE   1  56.927   2.974   2.967
    6    HB3  PHE   1           HB1      PHE   1  55.535   2.212   2.161
    7    HD1  PHE   1           HD1      PHE   1  54.795  -0.061   2.784
    8    HD2  PHE   1           HD2      PHE   1  58.071   1.873   4.822
    9    HE1  PHE   1           HE1      PHE   1  54.653  -1.748   4.614
   10    HE2  PHE   1           HE2      PHE   1  57.930   0.186   6.651
   11    HZ   PHE   1           HZ       PHE   1  56.179  -1.585   6.578
   12    H    LEU   2           HN       LEU   2  59.707   2.454   0.733
   13    HA   LEU   2           HA       LEU   2  60.394   4.180  -0.658
   14    HB2  LEU   2           HB2      LEU   2  58.010   3.056  -2.164
   15    HB3  LEU   2           HB1      LEU   2  58.985   4.378  -2.834
   16    HG   LEU   2           HG       LEU   2  59.616   2.001  -3.566
   17   HD11  LEU   2          HD11      LEU   2  61.941   3.390  -2.179
   18   HD12  LEU   2          HD12      LEU   2  61.150   4.097  -3.605
   19   HD13  LEU   2          HD13      LEU   2  61.925   2.503  -3.717
   20   HD21  LEU   2          HD21      LEU   2  59.343   1.035  -1.233
   21   HD22  LEU   2          HD22      LEU   2  60.868   1.840  -0.790
   22   HD23  LEU   2          HD23      LEU   2  60.855   0.591  -2.055
   23    H    GLY   3           HN       GLY   3  58.712   4.872   1.576
   24    HA2  GLY   3           HA1      GLY   3  57.637   6.749   2.390
   25    HA3  GLY   3           HA2      GLY   3  58.180   7.595   0.927
   26    H    ALA   4           HN       ALA   4  55.981   4.801   1.348
   27    HA   ALA   4           HA       ALA   4  53.836   4.477   0.519
   28    HB1  ALA   4           HB1      ALA   4  53.428   6.102   2.386
   29    HB2  ALA   4           HB2      ALA   4  52.214   6.174   1.086
   30    HB3  ALA   4           HB3      ALA   4  53.485   7.417   1.188
   31    H    LEU   5           HN       LEU   5  55.050   4.324  -1.615
   32    HA   LEU   5           HA       LEU   5  55.183   4.839  -3.876
   33    HB2  LEU   5           HB2      LEU   5  52.429   5.869  -3.126
   34    HB3  LEU   5           HB1      LEU   5  53.017   5.950  -4.798
   35    HG   LEU   5           HG       LEU   5  51.606   3.899  -4.179
   36   HD11  LEU   5          HD11      LEU   5  52.791   2.462  -5.637
   37   HD12  LEU   5          HD12      LEU   5  54.377   3.075  -5.129
   38   HD13  LEU   5          HD13      LEU   5  53.314   4.083  -6.135
   39   HD21  LEU   5          HD21      LEU   5  54.164   2.972  -2.801
   40   HD22  LEU   5          HD22      LEU   5  52.609   2.117  -2.904
   41   HD23  LEU   5          HD23      LEU   5  52.745   3.597  -1.928
   42    H    ILE   6           HN       ILE   6  55.930   6.900  -1.699
   43    HA   ILE   6           HA       ILE   6  56.410   9.202  -1.527
   44    HB   ILE   6           HB       ILE   6  58.217   7.827  -3.023
   45   HG12  ILE   6          HG12      ILE   6  58.245  10.862  -2.679
   46   HG13  ILE   6          HG11      ILE   6  58.739   9.660  -1.467
   47   HG21  ILE   6          HG21      ILE   6  56.819   8.659  -5.159
   48   HG22  ILE   6          HG22      ILE   6  58.586   8.516  -5.209
   49   HG23  ILE   6          HG23      ILE   6  57.834  10.105  -4.970
   50   HD11  ILE   6           HD1      ILE   6  60.761  10.403  -2.521
   51   HD12  ILE   6           HD2      ILE   6  60.051  10.258  -4.147
   52   HD13  ILE   6           HD3      ILE   6  60.418   8.795  -3.202
   53    H    LYS   7           HN       LYS   7  56.912  11.072  -3.761
   54    HA   LYS   7           HA       LYS   7  55.584  12.807  -4.566
   55    HB2  LYS   7           HB2      LYS   7  54.725  10.837  -6.127
   56    HB3  LYS   7           HB1      LYS   7  53.315  10.825  -5.046
   57    HG2  LYS   7           HG2      LYS   7  52.588  12.330  -6.694
   58    HG3  LYS   7           HG1      LYS   7  53.300  13.454  -5.515
   59    HD2  LYS   7           HD2      LYS   7  55.439  13.419  -6.823
   60    HD3  LYS   7           HD1      LYS   7  54.665  12.351  -8.017
   61    HE2  LYS   7           HE2      LYS   7  54.538  14.650  -8.822
   62    HE3  LYS   7           HE1      LYS   7  52.904  14.110  -8.369
   63    HZ1  LYS   7           HZ1      LYS   7  54.264  15.231  -6.136
   64    HZ2  LYS   7           HZ2      LYS   7  52.787  15.694  -6.839
   65    HZ3  LYS   7           HZ3      LYS   7  54.247  16.333  -7.426
   66    H    GLY   8           HN       GLY   8  55.865  11.575  -2.173
   67    HA2  GLY   8           HA1      GLY   8  55.157  11.190  -0.110
   68    HA3  GLY   8           HA2      GLY   8  54.687  12.932  -0.182
   69    H    ALA   9           HN       ALA   9  53.647   9.596  -0.504
   70    HA   ALA   9           HA       ALA   9  51.581   8.589  -0.380
   71    HB1  ALA   9           HB1      ALA   9  50.788  11.069   1.183
   72    HB2  ALA   9           HB2      ALA   9  51.701   9.704   1.870
   73    HB3  ALA   9           HB3      ALA   9  50.043   9.457   1.269
   74    H    ILE  10           HN       ILE  10  51.582   9.135  -2.754
   75    HA   ILE  10           HA       ILE  10  50.372   9.741  -4.617
   76    HB   ILE  10           HB       ILE  10  48.276   9.932  -2.449
   77   HG12  ILE  10          HG12      ILE  10  47.069   8.423  -4.004
   78   HG13  ILE  10          HG11      ILE  10  48.361   8.637  -5.208
   79   HG21  ILE  10          HG21      ILE  10  47.612  11.956  -3.497
   80   HG22  ILE  10          HG22      ILE  10  46.578  10.713  -4.234
   81   HG23  ILE  10          HG23      ILE  10  47.987  11.339  -5.124
   82   HD11  ILE  10           HD1      ILE  10  49.979   7.558  -3.799
   83   HD12  ILE  10           HD2      ILE  10  48.522   6.538  -3.740
   84   HD13  ILE  10           HD3      ILE  10  48.900   7.630  -2.386
   85    H    HIS  11           HN       HIS  11  49.327  12.243  -2.244
   86    HA   HIS  11           HA       HIS  11  50.974  14.263  -3.658
   87    HB2  HIS  11           HB2      HIS  11  47.928  14.331  -3.565
   88    HB3  HIS  11           HB1      HIS  11  48.935  15.764  -3.886
   89    HD1  HIS  11           HD1      HIS  11  47.000  13.568  -5.755
   90    HD2  HIS  11           HD2      HIS  11  51.018  14.763  -6.080
   91    HE1  HIS  11           HE1      HIS  11  47.755  13.063  -8.143
   92    H    GLY  12           HN       GLY  12  49.838  12.800  -0.985
   93    HA2  GLY  12           HA1      GLY  12  50.846  13.802   1.119
   94    HA3  GLY  12           HA2      GLY  12  49.984  15.299   0.706
   95    H    GLY  13           HN       GLY  13  48.591  12.132   0.099
   96    HA2  GLY  13           HA1      GLY  13  46.640  11.195   0.920
   97    HA3  GLY  13           HA2      GLY  13  47.271  11.636   2.518
   98    H    ARG  14           HN       ARG  14  45.587  13.027  -0.324
   99    HA   ARG  14           HA       ARG  14  43.527  14.156   1.398
  100    HB2  ARG  14           HB2      ARG  14  45.746  15.711   1.382
  101    HB3  ARG  14           HB1      ARG  14  45.002  16.315  -0.113
  102    HG2  ARG  14           HG2      ARG  14  43.722  16.235   2.661
  103    HG3  ARG  14           HG1      ARG  14  44.260  17.683   1.780
  104    HD2  ARG  14           HD2      ARG  14  42.607  16.873  -0.093
  105    HD3  ARG  14           HD1      ARG  14  41.896  15.875   1.202
  106    HE   ARG  14           HE       ARG  14  41.468  18.677   0.886
  107   HH11  ARG  14          HH11      ARG  14  40.359  16.403   2.823
  108   HH12  ARG  14          HH12      ARG  14  40.519  17.243   4.329
  109   HH21  ARG  14          HH21      ARG  14  42.530  19.748   3.025
  110   HH22  ARG  14          HH22      ARG  14  41.748  19.136   4.444
  111    H    PHE  15           HN       PHE  15  45.145  13.856  -1.732
  112    HA   PHE  15           HA       PHE  15  43.301  14.998  -3.476
  113    HB2  PHE  15           HB2      PHE  15  45.437  13.825  -4.103
  114    HB3  PHE  15           HB1      PHE  15  44.593  12.274  -3.887
  115    HD1  PHE  15           HD1      PHE  15  43.186  11.403  -5.614
  116    HD2  PHE  15           HD2      PHE  15  44.475  15.520  -5.766
  117    HE1  PHE  15           HE1      PHE  15  42.243  11.615  -7.911
  118    HE2  PHE  15           HE2      PHE  15  43.532  15.730  -8.062
  119    HZ   PHE  15           HZ       PHE  15  42.355  13.798  -9.106
  120    H    ILE  16           HN       ILE  16  43.025  11.927  -1.703
  121    HA   ILE  16           HA       ILE  16  40.372  11.402  -2.977
  122    HB   ILE  16           HB       ILE  16  41.834   9.717  -0.888
  123   HG12  ILE  16          HG12      ILE  16  42.126   8.283  -3.198
  124   HG13  ILE  16          HG11      ILE  16  42.142   9.915  -3.897
  125   HG21  ILE  16          HG21      ILE  16  39.408   9.324  -1.059
  126   HG22  ILE  16          HG22      ILE  16  40.302   7.947  -1.742
  127   HG23  ILE  16          HG23      ILE  16  39.546   9.142  -2.823
  128   HD11  ILE  16           HD1      ILE  16  44.428   9.120  -3.343
  129   HD12  ILE  16           HD2      ILE  16  43.949   8.936  -1.640
  130   HD13  ILE  16           HD3      ILE  16  43.994  10.550  -2.380
  131    H    HIS  17           HN       HIS  17  41.428  10.853   0.401
  132    HA   HIS  17           HA       HIS  17  39.803  12.957   1.524
  133    HB2  HIS  17           HB2      HIS  17  37.981  11.444   0.668
  134    HB3  HIS  17           HB1      HIS  17  38.609  10.165   1.734
  135    HD1  HIS  17           HD1      HIS  17  35.847  10.862   2.453
  136    HD2  HIS  17           HD2      HIS  17  39.042  13.255   3.772
  137    HE1  HIS  17           HE1      HIS  17  35.045  12.132   4.520
  138    H    GLY  18           HN       GLY  18  42.389  12.229   1.914
  139    HA2  GLY  18           HA1      GLY  18  43.380  12.318   4.211
  140    HA3  GLY  18           HA2      GLY  18  42.361  10.924   4.630
  141    H    MET  19           HN       MET  19  42.561   9.554   2.242
  142    HA   MET  19           HA       MET  19  44.548   8.895   0.827
  143    HB2  MET  19           HB2      MET  19  46.400   9.243   2.255
  144    HB3  MET  19           HB1      MET  19  45.686   8.285   3.553
  145    HG2  MET  19           HG2      MET  19  47.504   7.065   2.388
  146    HG3  MET  19           HG1      MET  19  45.953   6.229   2.172
  147    HE1  MET  19           HE1      MET  19  48.026   5.756  -1.152
  148    HE2  MET  19           HE2      MET  19  47.501   5.034   0.388
  149    HE3  MET  19           HE3      MET  19  48.834   6.214   0.367
  150    H    ILE  20           HN       ILE  20  42.869   7.923  -0.092
  151    HA   ILE  20           HA       ILE  20  41.514   6.108  -0.614
  152    HB   ILE  20           HB       ILE  20  42.977   4.409   1.467
  153   HG12  ILE  20          HG12      ILE  20  44.802   5.360   0.260
  154   HG13  ILE  20          HG11      ILE  20  44.546   3.763  -0.460
  155   HG21  ILE  20          HG21      ILE  20  41.138   3.234   0.546
  156   HG22  ILE  20          HG22      ILE  20  42.527   2.647  -0.386
  157   HG23  ILE  20          HG23      ILE  20  41.427   3.848  -1.092
  158   HD11  ILE  20           HD1      ILE  20  43.725   6.469  -1.584
  159   HD12  ILE  20           HD2      ILE  20  43.115   4.935  -2.238
  160   HD13  ILE  20           HD3      ILE  20  44.853   5.291  -2.285
  161    H    GLN  21           HN       GLN  21  41.464   8.031   1.641
  162    HA   GLN  21           HA       GLN  21  39.734   8.614   3.133
  163    HB2  GLN  21           HB2      GLN  21  38.383   6.555   2.099
  164    HB3  GLN  21           HB1      GLN  21  38.920   5.715   3.569
  165    HG2  GLN  21           HG2      GLN  21  37.974   7.603   4.936
  166    HG3  GLN  21           HG1      GLN  21  37.321   8.306   3.437
  167   HE21  GLN  21          HE21      GLN  21  36.997   5.635   5.768
  168   HE22  GLN  21          HE22      GLN  21  35.472   5.026   5.115
  169    H    ASN  22           HN       ASN  22  42.434   7.846   3.246
  170    HA   ASN  22           HA       ASN  22  44.117   7.258   4.674
  171    HB2  ASN  22           HB2      ASN  22  43.544   9.270   5.715
  172    HB3  ASN  22           HB1      ASN  22  42.126   8.549   6.535
  173   HD21  ASN  22          HD21      ASN  22  42.862   8.967   8.716
  174   HD22  ASN  22          HD22      ASN  22  44.283   8.159   9.386
  175    H    HIS  23           HN       HIS  23  43.411   5.116   3.906
  176    HA   HIS  23           HA       HIS  23  42.229   3.374   5.997
  177    HB2  HIS  23           HB2      HIS  23  43.428   2.899   3.242
  178    HB3  HIS  23           HB1      HIS  23  42.972   1.550   4.308
  179    HD1  HIS  23           HD1      HIS  23  41.278   1.277   2.058
  180    HD2  HIS  23           HD2      HIS  23  40.449   4.363   4.786
  181    HE1  HIS  23           HE1      HIS  23  38.822   1.915   1.764
  182    H    HIS  24           HN       HIS  24  44.896   1.997   4.309
  183    HA   HIS  24           HA       HIS  24  46.220   1.320   6.795
  184    HB2  HIS  24           HB2      HIS  24  47.983   0.388   5.272
  185    HB3  HIS  24           HB1      HIS  24  46.342  -0.187   4.893
  186    HD1  HIS  24           HD1      HIS  24  45.688  -0.012   2.496
  187    HD2  HIS  24           HD2      HIS  24  48.587   2.849   3.546
  188    HE1  HIS  24           HE1      HIS  24  46.309   1.260   0.369
  Start of MODEL   53
    1    H1   PHE   1           HT1      PHE   1  59.791   5.574 -11.764
    2    H2   PHE   1           HT2      PHE   1  61.357   4.936 -11.924
    3    H3   PHE   1           HT3      PHE   1  60.784   5.420 -10.400
    4    HA   PHE   1           HA       PHE   1  59.138   3.487 -11.730
    5    HB2  PHE   1           HB2      PHE   1  61.464   2.801 -12.409
    6    HB3  PHE   1           HB1      PHE   1  61.876   2.672 -10.681
    7    HD1  PHE   1           HD1      PHE   1  59.347   1.488 -13.213
    8    HD2  PHE   1           HD2      PHE   1  61.430   0.647  -9.524
    9    HE1  PHE   1           HE1      PHE   1  58.336  -0.788 -13.158
   10    HE2  PHE   1           HE2      PHE   1  60.419  -1.629  -9.473
   11    HZ   PHE   1           HZ       PHE   1  58.895  -2.357 -11.305
   12    H    LEU   2           HN       LEU   2  59.426   5.506  -9.428
   13    HA   LEU   2           HA       LEU   2  59.539   3.914  -7.004
   14    HB2  LEU   2           HB2      LEU   2  58.136   6.588  -7.337
   15    HB3  LEU   2           HB1      LEU   2  58.891   5.913  -5.875
   16    HG   LEU   2           HG       LEU   2  60.328   6.779  -8.423
   17   HD11  LEU   2          HD11      LEU   2  59.523   8.613  -6.923
   18   HD12  LEU   2          HD12      LEU   2  61.299   8.513  -6.979
   19   HD13  LEU   2          HD13      LEU   2  60.415   7.871  -5.573
   20   HD21  LEU   2          HD21      LEU   2  62.385   6.340  -6.886
   21   HD22  LEU   2          HD22      LEU   2  61.577   4.924  -7.593
   22   HD23  LEU   2          HD23      LEU   2  61.274   5.366  -5.895
   23    H    GLY   3           HN       GLY   3  57.083   4.642  -9.371
   24    HA2  GLY   3           HA1      GLY   3  54.869   3.993  -9.517
   25    HA3  GLY   3           HA2      GLY   3  55.306   2.652  -8.440
   26    H    ALA   4           HN       ALA   4  55.195   6.204  -7.950
   27    HA   ALA   4           HA       ALA   4  54.136   7.445  -6.307
   28    HB1  ALA   4           HB1      ALA   4  52.039   5.250  -6.464
   29    HB2  ALA   4           HB2      ALA   4  52.140   6.652  -7.556
   30    HB3  ALA   4           HB3      ALA   4  51.813   6.895  -5.823
   31    H    LEU   5           HN       LEU   5  55.375   7.421  -4.528
   32    HA   LEU   5           HA       LEU   5  54.523   5.694  -2.316
   33    HB2  LEU   5           HB2      LEU   5  56.276   4.394  -3.796
   34    HB3  LEU   5           HB1      LEU   5  57.457   5.506  -3.074
   35    HG   LEU   5           HG       LEU   5  56.288   4.768  -0.776
   36   HD11  LEU   5          HD11      LEU   5  54.500   3.413  -1.808
   37   HD12  LEU   5          HD12      LEU   5  55.587   2.375  -0.859
   38   HD13  LEU   5          HD13      LEU   5  55.716   2.410  -2.632
   39   HD21  LEU   5          HD21      LEU   5  58.198   2.992  -2.362
   40   HD22  LEU   5          HD22      LEU   5  57.925   2.878  -0.607
   41   HD23  LEU   5          HD23      LEU   5  58.648   4.348  -1.301
   42    H    ILE   6           HN       ILE   6  55.412   8.552  -3.540
   43    HA   ILE   6           HA       ILE   6  55.906   9.692  -0.870
   44    HB   ILE   6           HB       ILE   6  58.043  10.891  -1.591
   45   HG12  ILE   6          HG12      ILE   6  58.040   8.796  -3.813
   46   HG13  ILE   6          HG11      ILE   6  57.762  10.538  -4.039
   47   HG21  ILE   6          HG21      ILE   6  57.962   8.738  -0.169
   48   HG22  ILE   6          HG22      ILE   6  59.515   9.135  -0.936
   49   HG23  ILE   6          HG23      ILE   6  58.471   7.879  -1.643
   50   HD11  ILE   6           HD1      ILE   6  60.308   9.131  -3.163
   51   HD12  ILE   6           HD2      ILE   6  60.058  10.870  -2.873
   52   HD13  ILE   6           HD3      ILE   6  60.069  10.235  -4.536
   53    H    LYS   7           HN       LYS   7  54.185   9.662  -3.344
   54    HA   LYS   7           HA       LYS   7  54.176  12.629  -3.792
   55    HB2  LYS   7           HB2      LYS   7  52.034  10.611  -4.624
   56    HB3  LYS   7           HB1      LYS   7  52.318  12.236  -5.292
   57    HG2  LYS   7           HG2      LYS   7  54.215   9.861  -5.555
   58    HG3  LYS   7           HG1      LYS   7  53.126  10.459  -6.830
   59    HD2  LYS   7           HD2      LYS   7  54.291  12.740  -6.552
   60    HD3  LYS   7           HD1      LYS   7  55.513  11.879  -5.586
   61    HE2  LYS   7           HE2      LYS   7  56.361  11.920  -7.829
   62    HE3  LYS   7           HE1      LYS   7  55.755  10.268  -7.568
   63    HZ1  LYS   7           HZ1      LYS   7  53.646  11.890  -8.487
   64    HZ2  LYS   7           HZ2      LYS   7  54.355  10.545  -9.244
   65    HZ3  LYS   7           HZ3      LYS   7  54.970  12.104  -9.524
   66    H    GLY   8           HN       GLY   8  54.383  11.151  -1.536
   67    HA2  GLY   8           HA1      GLY   8  53.968  11.023   0.550
   68    HA3  GLY   8           HA2      GLY   8  52.647  12.251   0.381
   69    H    ALA   9           HN       ALA   9  53.274   8.974  -0.863
   70    HA   ALA   9           HA       ALA   9  52.060   7.014  -0.757
   71    HB1  ALA   9           HB1      ALA   9  52.169   7.594   1.747
   72    HB2  ALA   9           HB2      ALA   9  50.885   6.476   1.229
   73    HB3  ALA   9           HB3      ALA   9  50.500   8.180   1.567
   74    H    ILE  10           HN       ILE  10  50.971   9.888  -1.665
   75    HA   ILE  10           HA       ILE  10  48.675   8.766  -3.075
   76    HB   ILE  10           HB       ILE  10  47.213  10.851  -2.003
   77   HG12  ILE  10          HG12      ILE  10  48.740   9.701   0.379
   78   HG13  ILE  10          HG11      ILE  10  49.126  11.266  -0.365
   79   HG21  ILE  10          HG21      ILE  10  45.877   9.253  -0.862
   80   HG22  ILE  10          HG22      ILE  10  47.247   8.165  -0.576
   81   HG23  ILE  10          HG23      ILE  10  46.590   8.356  -2.217
   82   HD11  ILE  10           HD1      ILE  10  46.643  11.877   0.008
   83   HD12  ILE  10           HD2      ILE  10  47.670  11.774   1.456
   84   HD13  ILE  10           HD3      ILE  10  46.568  10.439   1.054
   85    H    HIS  11           HN       HIS  11  48.862  12.097  -1.917
   86    HA   HIS  11           HA       HIS  11  50.327  13.033  -4.285
   87    HB2  HIS  11           HB2      HIS  11  47.992  12.684  -5.144
   88    HB3  HIS  11           HB1      HIS  11  47.413  13.835  -3.915
   89    HD1  HIS  11           HD1      HIS  11  47.027  16.063  -4.954
   90    HD2  HIS  11           HD2      HIS  11  50.440  14.168  -6.522
   91    HE1  HIS  11           HE1      HIS  11  48.077  17.664  -6.646
   92    H    GLY  12           HN       GLY  12  50.418  13.058  -1.296
   93    HA2  GLY  12           HA1      GLY  12  51.269  14.639   0.194
   94    HA3  GLY  12           HA2      GLY  12  51.049  15.906  -1.028
   95    H    GLY  13           HN       GLY  13  48.723  13.626   0.466
   96    HA2  GLY  13           HA1      GLY  13  46.768  14.036   1.629
   97    HA3  GLY  13           HA2      GLY  13  47.553  15.498   2.256
   98    H    ARG  14           HN       ARG  14  47.654  15.711  -1.051
   99    HA   ARG  14           HA       ARG  14  45.594  17.771  -1.072
  100    HB2  ARG  14           HB2      ARG  14  47.360  16.515  -3.199
  101    HB3  ARG  14           HB1      ARG  14  46.141  17.746  -3.598
  102    HG2  ARG  14           HG2      ARG  14  48.110  18.299  -1.349
  103    HG3  ARG  14           HG1      ARG  14  48.652  18.465  -3.033
  104    HD2  ARG  14           HD2      ARG  14  46.247  19.888  -1.799
  105    HD3  ARG  14           HD1      ARG  14  47.824  20.624  -2.159
  106    HE   ARG  14           HE       ARG  14  46.707  19.386  -4.524
  107   HH11  ARG  14          HH11      ARG  14  44.594  21.196  -3.083
  108   HH12  ARG  14          HH12      ARG  14  44.800  22.658  -3.989
  109   HH21  ARG  14          HH21      ARG  14  47.797  21.664  -5.421
  110   HH22  ARG  14          HH22      ARG  14  46.613  22.923  -5.313
  111    H    PHE  15           HN       PHE  15  45.598  14.372  -1.475
  112    HA   PHE  15           HA       PHE  15  43.642  13.935  -3.448
  113    HB2  PHE  15           HB2      PHE  15  44.863  12.136  -2.255
  114    HB3  PHE  15           HB1      PHE  15  43.926  12.488  -0.783
  115    HD1  PHE  15           HD1      PHE  15  41.507  12.005  -0.673
  116    HD2  PHE  15           HD2      PHE  15  43.832  11.040  -4.179
  117    HE1  PHE  15           HE1      PHE  15  39.661  10.547  -1.495
  118    HE2  PHE  15           HE2      PHE  15  41.986   9.582  -5.002
  119    HZ   PHE  15           HZ       PHE  15  39.872   9.393  -3.694
  120    H    ILE  16           HN       ILE  16  43.345  15.284  -0.230
  121    HA   ILE  16           HA       ILE  16  40.353  15.196  -0.393
  122    HB   ILE  16           HB       ILE  16  42.090  16.186   1.912
  123   HG12  ILE  16          HG12      ILE  16  40.879  13.424   1.415
  124   HG13  ILE  16          HG11      ILE  16  42.612  13.816   1.351
  125   HG21  ILE  16          HG21      ILE  16  40.084  16.014   3.213
  126   HG22  ILE  16          HG22      ILE  16  39.244  15.097   1.940
  127   HG23  ILE  16          HG23      ILE  16  39.591  16.825   1.712
  128   HD11  ILE  16           HD1      ILE  16  42.275  12.915   3.526
  129   HD12  ILE  16           HD2      ILE  16  40.769  13.830   3.765
  130   HD13  ILE  16           HD3      ILE  16  42.337  14.673   3.773
  131    H    HIS  17           HN       HIS  17  42.544  17.690   1.014
  132    HA   HIS  17           HA       HIS  17  41.925  19.635  -1.052
  133    HB2  HIS  17           HB2      HIS  17  39.688  19.506   0.015
  134    HB3  HIS  17           HB1      HIS  17  40.419  19.952   1.573
  135    HD1  HIS  17           HD1      HIS  17  42.002  21.604  -1.333
  136    HD2  HIS  17           HD2      HIS  17  38.739  22.389   1.199
  137    HE1  HIS  17           HE1      HIS  17  41.419  24.079  -1.587
  138    H    GLY  18           HN       GLY  18  44.224  18.675   0.273
  139    HA2  GLY  18           HA1      GLY  18  46.095  20.375   0.570
  140    HA3  GLY  18           HA2      GLY  18  45.104  21.062   1.882
  141    H    MET  19           HN       MET  19  44.044  18.858   2.963
  142    HA   MET  19           HA       MET  19  45.230  16.618   3.565
  143    HB2  MET  19           HB2      MET  19  47.456  17.143   3.967
  144    HB3  MET  19           HB1      MET  19  47.065  18.718   4.652
  145    HG2  MET  19           HG2      MET  19  46.541  17.798   6.777
  146    HG3  MET  19           HG1      MET  19  46.307  16.167   6.103
  147    HE1  MET  19           HE1      MET  19  49.286  15.307   8.229
  148    HE2  MET  19           HE2      MET  19  47.968  14.568   7.288
  149    HE3  MET  19           HE3      MET  19  47.620  15.907   8.409
  150    H    ILE  20           HN       ILE  20  43.137  16.294   3.947
  151    HA   ILE  20           HA       ILE  20  41.243  16.120   5.284
  152    HB   ILE  20           HB       ILE  20  42.882  17.044   7.690
  153   HG12  ILE  20          HG12      ILE  20  42.745  14.236   6.492
  154   HG13  ILE  20          HG11      ILE  20  44.176  15.287   6.492
  155   HG21  ILE  20          HG21      ILE  20  40.720  14.900   7.545
  156   HG22  ILE  20          HG22      ILE  20  40.309  16.617   7.735
  157   HG23  ILE  20          HG23      ILE  20  41.294  15.802   8.967
  158   HD11  ILE  20           HD1      ILE  20  42.799  13.979   8.858
  159   HD12  ILE  20           HD2      ILE  20  43.896  15.365   9.071
  160   HD13  ILE  20           HD3      ILE  20  44.499  13.851   8.358
  161    H    GLN  21           HN       GLN  21  42.511  18.445   4.014
  162    HA   GLN  21           HA       GLN  21  41.615  20.577   3.504
  163    HB2  GLN  21           HB2      GLN  21  39.532  19.912   5.018
  164    HB3  GLN  21           HB1      GLN  21  40.364  20.867   6.266
  165    HG2  GLN  21           HG2      GLN  21  40.425  22.820   4.762
  166    HG3  GLN  21           HG1      GLN  21  39.634  21.874   3.478
  167   HE21  GLN  21          HE21      GLN  21  37.687  23.163   3.424
  168   HE22  GLN  21          HE22      GLN  21  36.551  23.171   4.777
  169    H    ASN  22           HN       ASN  22  43.938  19.528   4.650
  170    HA   ASN  22           HA       ASN  22  45.817  20.076   5.838
  171    HB2  ASN  22           HB2      ASN  22  46.601  22.424   5.443
  172    HB3  ASN  22           HB1      ASN  22  46.092  21.528   3.982
  173   HD21  ASN  22          HD21      ASN  22  45.060  24.061   6.336
  174   HD22  ASN  22          HD22      ASN  22  43.844  24.769   5.268
  175    H    HIS  23           HN       HIS  23  44.199  19.451   7.560
  176    HA   HIS  23           HA       HIS  23  44.839  21.178   9.833
  177    HB2  HIS  23           HB2      HIS  23  42.899  22.426   8.922
  178    HB3  HIS  23           HB1      HIS  23  41.912  20.949   9.029
  179    HD1  HIS  23           HD1      HIS  23  40.649  20.653  11.159
  180    HD2  HIS  23           HD2      HIS  23  44.084  23.019  11.686
  181    HE1  HIS  23           HE1      HIS  23  40.644  21.473  13.578
  182    H    HIS  24           HN       HIS  24  45.043  19.942  11.592
  183    HA   HIS  24           HA       HIS  24  44.514  17.107  11.413
  184    HB2  HIS  24           HB2      HIS  24  46.344  18.121  12.778
  185    HB3  HIS  24           HB1      HIS  24  45.115  18.789  13.878
  186    HD1  HIS  24           HD1      HIS  24  44.354  15.443  12.420
  187    HD2  HIS  24           HD2      HIS  24  46.124  16.972  15.916
  188    HE1  HIS  24           HE1      HIS  24  44.512  13.522  14.097
  Start of MODEL   54
    1    H1   PHE   1           HT1      PHE   1  60.855   2.105  -0.465
    2    H2   PHE   1           HT2      PHE   1  61.124   0.437  -0.651
    3    H3   PHE   1           HT3      PHE   1  61.963   1.552  -1.622
    4    HA   PHE   1           HA       PHE   1  62.903   0.426   0.609
    5    HB2  PHE   1           HB2      PHE   1  63.607   3.128  -0.605
    6    HB3  PHE   1           HB1      PHE   1  64.657   2.171   0.468
    7    HD1  PHE   1           HD1      PHE   1  65.670   0.065  -0.296
    8    HD2  PHE   1           HD2      PHE   1  63.149   2.405  -2.904
    9    HE1  PHE   1           HE1      PHE   1  66.475  -1.250  -2.255
   10    HE2  PHE   1           HE2      PHE   1  63.953   1.091  -4.861
   11    HZ   PHE   1           HZ       PHE   1  65.673  -0.685  -4.545
   12    H    LEU   2           HN       LEU   2  61.422   3.683   0.368
   13    HA   LEU   2           HA       LEU   2  61.870   4.294   3.168
   14    HB2  LEU   2           HB2      LEU   2  60.131   5.473   0.975
   15    HB3  LEU   2           HB1      LEU   2  60.037   6.075   2.647
   16    HG   LEU   2           HG       LEU   2  62.423   6.622   2.633
   17   HD11  LEU   2          HD11      LEU   2  62.341   5.274  -0.095
   18   HD12  LEU   2          HD12      LEU   2  63.411   4.922   1.284
   19   HD13  LEU   2          HD13      LEU   2  63.631   6.418   0.348
   20   HD21  LEU   2          HD21      LEU   2  60.820   8.287   1.729
   21   HD22  LEU   2          HD22      LEU   2  61.019   7.594   0.102
   22   HD23  LEU   2          HD23      LEU   2  62.392   8.395   0.903
   23    H    GLY   3           HN       GLY   3  58.619   4.439   1.791
   24    HA2  GLY   3           HA1      GLY   3  57.549   2.137   3.098
   25    HA3  GLY   3           HA2      GLY   3  57.367   3.538   4.172
   26    H    ALA   4           HN       ALA   4  57.417   4.436   0.899
   27    HA   ALA   4           HA       ALA   4  54.609   3.944   0.303
   28    HB1  ALA   4           HB1      ALA   4  53.776   6.193   0.491
   29    HB2  ALA   4           HB2      ALA   4  55.380   6.805   0.962
   30    HB3  ALA   4           HB3      ALA   4  54.474   5.739   2.063
   31    H    LEU   5           HN       LEU   5  53.919   5.183  -1.681
   32    HA   LEU   5           HA       LEU   5  56.118   5.046  -3.629
   33    HB2  LEU   5           HB2      LEU   5  53.284   6.005  -4.155
   34    HB3  LEU   5           HB1      LEU   5  54.423   5.229  -5.283
   35    HG   LEU   5           HG       LEU   5  53.093   3.926  -2.865
   36   HD11  LEU   5          HD11      LEU   5  51.917   2.583  -4.524
   37   HD12  LEU   5          HD12      LEU   5  52.838   3.338  -5.847
   38   HD13  LEU   5          HD13      LEU   5  51.669   4.302  -4.912
   39   HD21  LEU   5          HD21      LEU   5  54.191   1.828  -3.923
   40   HD22  LEU   5          HD22      LEU   5  55.264   2.934  -3.038
   41   HD23  LEU   5          HD23      LEU   5  55.227   2.966  -4.817
   42    H    ILE   6           HN       ILE   6  55.786   7.251  -1.436
   43    HA   ILE   6           HA       ILE   6  56.043   9.585  -1.283
   44    HB   ILE   6           HB       ILE   6  57.517   9.524  -3.963
   45   HG12  ILE   6          HG12      ILE   6  58.450   8.190  -1.379
   46   HG13  ILE   6          HG11      ILE   6  58.138   7.385  -2.934
   47   HG21  ILE   6          HG21      ILE   6  58.923  11.132  -2.921
   48   HG22  ILE   6          HG22      ILE   6  58.438  10.637  -1.281
   49   HG23  ILE   6          HG23      ILE   6  57.304  11.539  -2.311
   50   HD11  ILE   6           HD1      ILE   6  59.907   8.974  -3.935
   51   HD12  ILE   6           HD2      ILE   6  60.505   7.693  -2.853
   52   HD13  ILE   6           HD3      ILE   6  60.346   9.360  -2.254
   53    H    LYS   7           HN       LYS   7  56.539  11.186  -3.915
   54    HA   LYS   7           HA       LYS   7  55.093  12.720  -4.924
   55    HB2  LYS   7           HB2      LYS   7  53.057  10.443  -5.067
   56    HB3  LYS   7           HB1      LYS   7  53.117  11.894  -6.098
   57    HG2  LYS   7           HG2      LYS   7  55.265  11.142  -7.057
   58    HG3  LYS   7           HG1      LYS   7  55.240   9.704  -6.008
   59    HD2  LYS   7           HD2      LYS   7  53.228   8.872  -7.084
   60    HD3  LYS   7           HD1      LYS   7  53.050  10.378  -8.018
   61    HE2  LYS   7           HE2      LYS   7  55.460   8.524  -8.222
   62    HE3  LYS   7           HE1      LYS   7  54.071   8.476  -9.332
   63    HZ1  LYS   7           HZ1      LYS   7  54.559  10.994  -9.559
   64    HZ2  LYS   7           HZ2      LYS   7  55.522   9.881 -10.407
   65    HZ3  LYS   7           HZ3      LYS   7  56.099  10.589  -8.975
   66    H    GLY   8           HN       GLY   8  55.438  11.898  -2.368
   67    HA2  GLY   8           HA1      GLY   8  54.714  11.760  -0.268
   68    HA3  GLY   8           HA2      GLY   8  54.202  13.463  -0.590
   69    H    ALA   9           HN       ALA   9  53.252  10.096  -0.391
   70    HA   ALA   9           HA       ALA   9  51.223   9.078  -0.047
   71    HB1  ALA   9           HB1      ALA   9  51.198  10.697   1.878
   72    HB2  ALA   9           HB2      ALA   9  49.583  10.218   1.302
   73    HB3  ALA   9           HB3      ALA   9  50.251  11.809   0.861
   74    H    ILE  10           HN       ILE  10  51.712   9.749  -2.629
   75    HA   ILE  10           HA       ILE  10  50.603   9.807  -4.634
   76    HB   ILE  10           HB       ILE  10  48.535   9.016  -2.867
   77   HG12  ILE  10          HG12      ILE  10  48.422   9.275  -5.907
   78   HG13  ILE  10          HG11      ILE  10  49.189   7.943  -5.011
   79   HG21  ILE  10          HG21      ILE  10  46.511  10.149  -3.507
   80   HG22  ILE  10          HG22      ILE  10  47.358  11.114  -4.736
   81   HG23  ILE  10          HG23      ILE  10  47.648  11.417  -3.009
   82   HD11  ILE  10           HD1      ILE  10  47.060   7.056  -5.499
   83   HD12  ILE  10           HD2      ILE  10  46.244   8.619  -5.269
   84   HD13  ILE  10           HD3      ILE  10  46.824   7.701  -3.858
   85    H    HIS  11           HN       HIS  11  49.757  12.256  -2.226
   86    HA   HIS  11           HA       HIS  11  50.452  14.367  -4.110
   87    HB2  HIS  11           HB2      HIS  11  48.112  13.784  -4.833
   88    HB3  HIS  11           HB1      HIS  11  47.551  14.229  -3.202
   89    HD1  HIS  11           HD1      HIS  11  50.334  16.384  -3.973
   90    HD2  HIS  11           HD2      HIS  11  46.250  16.350  -4.977
   91    HE1  HIS  11           HE1      HIS  11  49.728  18.733  -4.776
   92    H    GLY  12           HN       GLY  12  49.359  13.170  -1.027
   93    HA2  GLY  12           HA1      GLY  12  50.859  14.553   0.696
   94    HA3  GLY  12           HA2      GLY  12  49.692  15.826   0.278
   95    H    GLY  13           HN       GLY  13  47.739  13.414  -0.146
   96    HA2  GLY  13           HA1      GLY  13  47.217  12.040   2.200
   97    HA3  GLY  13           HA2      GLY  13  46.549  13.656   2.504
   98    H    ARG  14           HN       ARG  14  46.663  11.827  -0.585
   99    HA   ARG  14           HA       ARG  14  44.850  11.309  -1.985
  100    HB2  ARG  14           HB2      ARG  14  43.321  10.924   0.575
  101    HB3  ARG  14           HB1      ARG  14  43.044  10.135  -0.981
  102    HG2  ARG  14           HG2      ARG  14  45.168   8.944  -0.800
  103    HG3  ARG  14           HG1      ARG  14  45.551   9.801   0.713
  104    HD2  ARG  14           HD2      ARG  14  43.550   8.828   1.785
  105    HD3  ARG  14           HD1      ARG  14  43.153   7.972   0.277
  106    HE   ARG  14           HE       ARG  14  45.837   7.322   1.125
  107   HH11  ARG  14          HH11      ARG  14  43.966   5.276   0.101
  108   HH12  ARG  14          HH12      ARG  14  43.559   4.377   1.525
  109   HH21  ARG  14          HH21      ARG  14  44.688   6.821   3.712
  110   HH22  ARG  14          HH22      ARG  14  43.970   5.252   3.569
  111    H    PHE  15           HN       PHE  15  45.330  14.015  -0.716
  112    HA   PHE  15           HA       PHE  15  44.372  16.105  -0.747
  113    HB2  PHE  15           HB2      PHE  15  44.066  15.332  -3.178
  114    HB3  PHE  15           HB1      PHE  15  42.381  14.985  -2.750
  115    HD1  PHE  15           HD1      PHE  15  40.888  16.849  -1.914
  116    HD2  PHE  15           HD2      PHE  15  44.840  17.592  -3.485
  117    HE1  PHE  15           HE1      PHE  15  40.325  19.261  -2.195
  118    HE2  PHE  15           HE2      PHE  15  44.275  20.002  -3.767
  119    HZ   PHE  15           HZ       PHE  15  42.023  20.838  -3.108
  120    H    ILE  16           HN       ILE  16  43.673  16.037   1.353
  121    HA   ILE  16           HA       ILE  16  42.101  16.374   2.997
  122    HB   ILE  16           HB       ILE  16  39.872  15.875   0.984
  123   HG12  ILE  16          HG12      ILE  16  41.580  17.755   0.347
  124   HG13  ILE  16          HG11      ILE  16  39.859  18.168   0.378
  125   HG21  ILE  16          HG21      ILE  16  38.641  17.399   2.606
  126   HG22  ILE  16          HG22      ILE  16  40.030  17.223   3.703
  127   HG23  ILE  16          HG23      ILE  16  39.077  15.794   3.238
  128   HD11  ILE  16           HD1      ILE  16  40.072  19.286   2.500
  129   HD12  ILE  16           HD2      ILE  16  41.421  19.852   1.491
  130   HD13  ILE  16           HD3      ILE  16  41.708  18.639   2.756
  131    H    HIS  17           HN       HIS  17  41.531  13.693   0.748
  132    HA   HIS  17           HA       HIS  17  41.942  11.499   2.203
  133    HB2  HIS  17           HB2      HIS  17  40.747  12.069   4.178
  134    HB3  HIS  17           HB1      HIS  17  39.317  12.601   3.262
  135    HD1  HIS  17           HD1      HIS  17  40.908   9.434   2.104
  136    HD2  HIS  17           HD2      HIS  17  37.931  10.540   4.860
  137    HE1  HIS  17           HE1      HIS  17  39.577   7.328   2.673
  138    H    GLY  18           HN       GLY  18  41.953  11.490  -0.398
  139    HA2  GLY  18           HA1      GLY  18  40.991   9.863  -1.961
  140    HA3  GLY  18           HA2      GLY  18  39.408  10.066  -1.189
  141    H    MET  19           HN       MET  19  39.674  12.854  -0.902
  142    HA   MET  19           HA       MET  19  40.100  14.681  -2.476
  143    HB2  MET  19           HB2      MET  19  40.149  13.580  -4.591
  144    HB3  MET  19           HB1      MET  19  38.474  13.054  -4.415
  145    HG2  MET  19           HG2      MET  19  38.644  14.981  -5.939
  146    HG3  MET  19           HG1      MET  19  37.732  15.435  -4.485
  147    HE1  MET  19           HE1      MET  19  38.342  17.493  -6.028
  148    HE2  MET  19           HE2      MET  19  39.931  17.261  -6.797
  149    HE3  MET  19           HE3      MET  19  39.691  18.583  -5.630
  150    H    ILE  20           HN       ILE  20  39.396  15.706  -0.777
  151    HA   ILE  20           HA       ILE  20  37.831  16.931   0.436
  152    HB   ILE  20           HB       ILE  20  35.784  16.547  -1.796
  153   HG12  ILE  20          HG12      ILE  20  38.131  18.499  -1.732
  154   HG13  ILE  20          HG11      ILE  20  37.888  17.186  -2.900
  155   HG21  ILE  20          HG21      ILE  20  36.378  19.039  -0.146
  156   HG22  ILE  20          HG22      ILE  20  35.317  17.756   0.471
  157   HG23  ILE  20          HG23      ILE  20  34.890  18.615  -1.023
  158   HD11  ILE  20           HD1      ILE  20  37.113  19.130  -4.027
  159   HD12  ILE  20           HD2      ILE  20  36.278  19.737  -2.578
  160   HD13  ILE  20           HD3      ILE  20  35.630  18.329  -3.455
  161    H    GLN  21           HN       GLN  21  38.139  14.018   0.103
  162    HA   GLN  21           HA       GLN  21  37.289  12.261   1.472
  163    HB2  GLN  21           HB2      GLN  21  35.749  14.096   2.640
  164    HB3  GLN  21           HB1      GLN  21  34.496  13.456   1.552
  165    HG2  GLN  21           HG2      GLN  21  35.073  11.131   2.413
  166    HG3  GLN  21           HG1      GLN  21  36.095  11.918   3.640
  167   HE21  GLN  21          HE21      GLN  21  35.014  13.375   5.226
  168   HE22  GLN  21          HE22      GLN  21  33.289  13.169   5.546
  169    H    ASN  22           HN       ASN  22  37.519  12.867  -1.259
  170    HA   ASN  22           HA       ASN  22  36.737  12.321  -3.349
  171    HB2  ASN  22           HB2      ASN  22  37.736  10.282  -2.770
  172    HB3  ASN  22           HB1      ASN  22  36.337   9.778  -1.775
  173   HD21  ASN  22          HD21      ASN  22  35.795  11.432  -4.869
  174   HD22  ASN  22          HD22      ASN  22  35.219  10.004  -5.737
  175    H    HIS  23           HN       HIS  23  35.144  13.996  -2.594
  176    HA   HIS  23           HA       HIS  23  32.970  14.793  -2.834
  177    HB2  HIS  23           HB2      HIS  23  33.224  13.581  -5.050
  178    HB3  HIS  23           HB1      HIS  23  32.381  12.198  -4.310
  179    HD1  HIS  23           HD1      HIS  23  29.884  12.229  -4.428
  180    HD2  HIS  23           HD2      HIS  23  31.549  16.054  -4.962
  181    HE1  HIS  23           HE1      HIS  23  27.961  13.833  -4.935
  182    H    HIS  24           HN       HIS  24  32.048  14.894  -0.873
  183    HA   HIS  24           HA       HIS  24  31.455  12.711   0.821
  184    HB2  HIS  24           HB2      HIS  24  31.449  15.124   1.483
  185    HB3  HIS  24           HB1      HIS  24  29.908  15.324   0.613
  186    HD1  HIS  24           HD1      HIS  24  31.455  13.657   3.652
  187    HD2  HIS  24           HD2      HIS  24  27.658  14.279   1.954
  188    HE1  HIS  24           HE1      HIS  24  29.720  12.893   5.365
  Start of MODEL   55
    1    H1   PHE   1           HT1      PHE   1  63.448   9.483   2.375
    2    H2   PHE   1           HT2      PHE   1  63.935   7.858   2.465
    3    H3   PHE   1           HT3      PHE   1  64.440   8.967   3.648
    4    HA   PHE   1           HA       PHE   1  62.775   7.786   4.673
    5    HB2  PHE   1           HB2      PHE   1  61.578  10.310   3.464
    6    HB3  PHE   1           HB1      PHE   1  60.921   9.437   4.868
    7    HD1  PHE   1           HD1      PHE   1  62.134   9.389   7.015
    8    HD2  PHE   1           HD2      PHE   1  63.661  11.583   3.626
    9    HE1  PHE   1           HE1      PHE   1  63.722  10.591   8.510
   10    HE2  PHE   1           HE2      PHE   1  65.250  12.786   5.121
   11    HZ   PHE   1           HZ       PHE   1  65.308  12.262   7.557
   12    H    LEU   2           HN       LEU   2  61.288   6.227   4.480
   13    HA   LEU   2           HA       LEU   2  59.816   4.766   3.435
   14    HB2  LEU   2           HB2      LEU   2  58.792   7.155   1.867
   15    HB3  LEU   2           HB1      LEU   2  57.889   5.733   2.440
   16    HG   LEU   2           HG       LEU   2  59.110   7.930   4.170
   17   HD11  LEU   2          HD11      LEU   2  56.809   8.512   4.673
   18   HD12  LEU   2          HD12      LEU   2  56.203   7.105   3.766
   19   HD13  LEU   2          HD13      LEU   2  56.982   8.454   2.904
   20   HD21  LEU   2          HD21      LEU   2  57.796   6.654   5.997
   21   HD22  LEU   2          HD22      LEU   2  59.306   5.903   5.431
   22   HD23  LEU   2          HD23      LEU   2  57.737   5.295   4.849
   23    H    GLY   3           HN       GLY   3  58.737   4.452   0.989
   24    HA2  GLY   3           HA1      GLY   3  60.622   4.997  -1.151
   25    HA3  GLY   3           HA2      GLY   3  60.769   3.333  -0.551
   26    H    ALA   4           HN       ALA   4  57.641   4.230   0.022
   27    HA   ALA   4           HA       ALA   4  56.658   2.563  -2.158
   28    HB1  ALA   4           HB1      ALA   4  55.076   4.339  -0.270
   29    HB2  ALA   4           HB2      ALA   4  55.647   2.703   0.141
   30    HB3  ALA   4           HB3      ALA   4  54.484   2.934  -1.187
   31    H    LEU   5           HN       LEU   5  54.173   4.366  -2.296
   32    HA   LEU   5           HA       LEU   5  54.795   5.571  -4.824
   33    HB2  LEU   5           HB2      LEU   5  52.514   6.398  -2.994
   34    HB3  LEU   5           HB1      LEU   5  52.572   6.442  -4.772
   35    HG   LEU   5           HG       LEU   5  52.559   3.950  -3.012
   36   HD11  LEU   5          HD11      LEU   5  50.386   3.537  -4.141
   37   HD12  LEU   5          HD12      LEU   5  50.553   5.080  -5.014
   38   HD13  LEU   5          HD13      LEU   5  50.370   5.074  -3.243
   39   HD21  LEU   5          HD21      LEU   5  53.935   3.385  -4.877
   40   HD22  LEU   5          HD22      LEU   5  52.953   4.352  -6.006
   41   HD23  LEU   5          HD23      LEU   5  52.314   2.827  -5.347
   42    H    ILE   6           HN       ILE   6  55.209   6.636  -1.549
   43    HA   ILE   6           HA       ILE   6  55.637   8.781  -0.631
   44    HB   ILE   6           HB       ILE   6  57.734   9.739  -1.540
   45   HG12  ILE   6          HG12      ILE   6  57.525   7.671  -3.785
   46   HG13  ILE   6          HG11      ILE   6  57.127   9.387  -4.001
   47   HG21  ILE   6          HG21      ILE   6  59.140   7.849  -1.102
   48   HG22  ILE   6          HG22      ILE   6  57.905   6.705  -1.680
   49   HG23  ILE   6          HG23      ILE   6  57.655   7.591  -0.159
   50   HD11  ILE   6           HD1      ILE   6  59.819   8.146  -3.342
   51   HD12  ILE   6           HD2      ILE   6  59.497   9.876  -3.076
   52   HD13  ILE   6           HD3      ILE   6  59.388   9.191  -4.713
   53    H    LYS   7           HN       LYS   7  56.880  10.970  -2.435
   54    HA   LYS   7           HA       LYS   7  55.918  13.003  -3.051
   55    HB2  LYS   7           HB2      LYS   7  53.909  11.136  -4.417
   56    HB3  LYS   7           HB1      LYS   7  53.858  12.908  -4.571
   57    HG2  LYS   7           HG2      LYS   7  56.264  12.803  -5.395
   58    HG3  LYS   7           HG1      LYS   7  56.086  11.033  -5.461
   59    HD2  LYS   7           HD2      LYS   7  54.040  11.391  -6.928
   60    HD3  LYS   7           HD1      LYS   7  54.485  13.113  -7.005
   61    HE2  LYS   7           HE2      LYS   7  56.294  10.801  -7.832
   62    HE3  LYS   7           HE1      LYS   7  55.370  11.828  -8.954
   63    HZ1  LYS   7           HZ1      LYS   7  56.572  13.737  -7.717
   64    HZ2  LYS   7           HZ2      LYS   7  57.417  12.855  -8.898
   65    HZ3  LYS   7           HZ3      LYS   7  57.674  12.535  -7.249
   66    H    GLY   8           HN       GLY   8  55.586  11.364  -0.924
   67    HA2  GLY   8           HA1      GLY   8  54.425  10.737   0.863
   68    HA3  GLY   8           HA2      GLY   8  54.211  12.519   1.061
   69    H    ALA   9           HN       ALA   9  52.787   9.482   0.324
   70    HA   ALA   9           HA       ALA   9  50.657   8.786  -0.155
   71    HB1  ALA   9           HB1      ALA   9  50.244   9.469   2.110
   72    HB2  ALA   9           HB2      ALA   9  48.863  10.020   1.130
   73    HB3  ALA   9           HB3      ALA   9  50.117  11.178   1.633
   74    H    ILE  10           HN       ILE  10  51.812  10.237  -2.190
   75    HA   ILE  10           HA       ILE  10  51.392  11.704  -3.952
   76    HB   ILE  10           HB       ILE  10  48.958  11.105  -4.968
   77   HG12  ILE  10          HG12      ILE  10  49.484   8.853  -2.967
   78   HG13  ILE  10          HG11      ILE  10  48.168  10.038  -2.852
   79   HG21  ILE  10          HG21      ILE  10  51.132   8.974  -4.756
   80   HG22  ILE  10          HG22      ILE  10  51.224  10.381  -5.842
   81   HG23  ILE  10          HG23      ILE  10  49.945   9.173  -6.064
   82   HD11  ILE  10           HD1      ILE  10  47.087   8.228  -3.886
   83   HD12  ILE  10           HD2      ILE  10  48.524   7.777  -4.831
   84   HD13  ILE  10           HD3      ILE  10  47.566   9.206  -5.293
   85    H    HIS  11           HN       HIS  11  47.945  11.695  -3.320
   86    HA   HIS  11           HA       HIS  11  47.713  14.488  -3.522
   87    HB2  HIS  11           HB2      HIS  11  45.880  12.738  -1.855
   88    HB3  HIS  11           HB1      HIS  11  45.478  14.242  -2.721
   89    HD1  HIS  11           HD1      HIS  11  47.018  13.553  -5.401
   90    HD2  HIS  11           HD2      HIS  11  44.347  10.979  -3.417
   91    HE1  HIS  11           HE1      HIS  11  46.110  11.911  -7.137
   92    H    GLY  12           HN       GLY  12  49.287  12.793  -1.031
   93    HA2  GLY  12           HA1      GLY  12  48.389  14.350   1.230
   94    HA3  GLY  12           HA2      GLY  12  49.930  13.482   1.105
   95    H    GLY  13           HN       GLY  13  49.787  15.310  -1.574
   96    HA2  GLY  13           HA1      GLY  13  50.449  17.934  -0.520
   97    HA3  GLY  13           HA2      GLY  13  51.886  17.021  -1.026
   98    H    ARG  14           HN       ARG  14  50.079  15.573  -3.022
   99    HA   ARG  14           HA       ARG  14  50.631  17.376  -5.248
  100    HB2  ARG  14           HB2      ARG  14  50.474  14.668  -4.999
  101    HB3  ARG  14           HB1      ARG  14  48.840  14.976  -5.612
  102    HG2  ARG  14           HG2      ARG  14  51.463  15.837  -6.924
  103    HG3  ARG  14           HG1      ARG  14  50.391  14.531  -7.475
  104    HD2  ARG  14           HD2      ARG  14  49.870  17.524  -7.484
  105    HD3  ARG  14           HD1      ARG  14  49.862  16.398  -8.857
  106    HE   ARG  14           HE       ARG  14  47.847  15.645  -6.926
  107   HH11  ARG  14          HH11      ARG  14  45.725  15.844  -7.701
  108   HH12  ARG  14          HH12      ARG  14  45.363  17.075  -8.865
  109   HH21  ARG  14          HH21      ARG  14  48.651  18.136  -9.159
  110   HH22  ARG  14          HH22      ARG  14  47.021  18.372  -9.691
  111    H    PHE  15           HN       PHE  15  47.903  16.564  -3.202
  112    HA   PHE  15           HA       PHE  15  45.665  17.253  -4.662
  113    HB2  PHE  15           HB2      PHE  15  45.631  16.620  -2.274
  114    HB3  PHE  15           HB1      PHE  15  46.315  18.206  -1.844
  115    HD1  PHE  15           HD1      PHE  15  43.313  16.401  -3.019
  116    HD2  PHE  15           HD2      PHE  15  44.987  20.271  -2.099
  117    HE1  PHE  15           HE1      PHE  15  41.025  17.389  -3.013
  118    HE2  PHE  15           HE2      PHE  15  42.701  21.259  -2.093
  119    HZ   PHE  15           HZ       PHE  15  40.715  19.803  -2.474
  120    H    ILE  16           HN       ILE  16  47.980  19.536  -3.154
  121    HA   ILE  16           HA       ILE  16  46.523  21.867  -4.156
  122    HB   ILE  16           HB       ILE  16  49.383  21.696  -3.116
  123   HG12  ILE  16          HG12      ILE  16  47.440  20.861  -1.561
  124   HG13  ILE  16          HG11      ILE  16  48.586  22.047  -0.917
  125   HG21  ILE  16          HG21      ILE  16  48.913  24.143  -2.577
  126   HG22  ILE  16          HG22      ILE  16  47.443  23.997  -3.571
  127   HG23  ILE  16          HG23      ILE  16  49.045  23.751  -4.307
  128   HD11  ILE  16           HD1      ILE  16  47.017  23.854  -1.201
  129   HD12  ILE  16           HD2      ILE  16  46.129  22.522  -0.431
  130   HD13  ILE  16           HD3      ILE  16  45.918  22.843  -2.164
  131    H    HIS  17           HN       HIS  17  50.021  21.243  -4.731
  132    HA   HIS  17           HA       HIS  17  49.624  20.919  -7.599
  133    HB2  HIS  17           HB2      HIS  17  49.031  23.326  -7.381
  134    HB3  HIS  17           HB1      HIS  17  50.645  23.640  -6.707
  135    HD1  HIS  17           HD1      HIS  17  52.463  24.140  -8.351
  136    HD2  HIS  17           HD2      HIS  17  49.287  22.016 -10.106
  137    HE1  HIS  17           HE1      HIS  17  52.938  23.996 -10.858
  138    H    GLY  18           HN       GLY  18  51.101  19.694  -5.434
  139    HA2  GLY  18           HA1      GLY  18  53.306  18.631  -6.348
  140    HA3  GLY  18           HA2      GLY  18  53.947  20.282  -6.159
  141    H    MET  19           HN       MET  19  52.829  21.194  -3.999
  142    HA   MET  19           HA       MET  19  52.492  19.723  -1.756
  143    HB2  MET  19           HB2      MET  19  55.280  19.455  -2.511
  144    HB3  MET  19           HB1      MET  19  55.191  20.367  -0.993
  145    HG2  MET  19           HG2      MET  19  53.657  18.505  -0.121
  146    HG3  MET  19           HG1      MET  19  54.107  17.585  -1.577
  147    HE1  MET  19           HE1      MET  19  55.446  19.746   1.297
  148    HE2  MET  19           HE2      MET  19  56.649  18.685   2.069
  149    HE3  MET  19           HE3      MET  19  54.930  18.221   2.055
  150    H    ILE  20           HN       ILE  20  51.081  21.412  -1.606
  151    HA   ILE  20           HA       ILE  20  50.426  23.514  -0.870
  152    HB   ILE  20           HB       ILE  20  53.149  23.382   0.517
  153   HG12  ILE  20          HG12      ILE  20  51.775  23.102   2.531
  154   HG13  ILE  20          HG11      ILE  20  50.289  23.338   1.583
  155   HG21  ILE  20          HG21      ILE  20  51.179  25.676   0.336
  156   HG22  ILE  20          HG22      ILE  20  52.958  25.717   0.416
  157   HG23  ILE  20          HG23      ILE  20  52.013  25.389   1.881
  158   HD11  ILE  20           HD1      ILE  20  51.034  20.892   2.139
  159   HD12  ILE  20           HD2      ILE  20  52.247  21.132   0.860
  160   HD13  ILE  20           HD3      ILE  20  50.512  21.256   0.479
  161    H    GLN  21           HN       GLN  21  52.110  22.688  -3.166
  162    HA   GLN  21           HA       GLN  21  52.437  23.880  -5.207
  163    HB2  GLN  21           HB2      GLN  21  51.595  26.076  -4.017
  164    HB3  GLN  21           HB1      GLN  21  53.320  26.377  -3.696
  165    HG2  GLN  21           HG2      GLN  21  53.742  26.043  -6.181
  166    HG3  GLN  21           HG1      GLN  21  51.976  26.028  -6.409
  167   HE21  GLN  21          HE21      GLN  21  52.021  28.021  -3.901
  168   HE22  GLN  21          HE22      GLN  21  52.327  29.571  -4.693
  169    H    ASN  22           HN       ASN  22  53.866  22.258  -3.426
  170    HA   ASN  22           HA       ASN  22  55.990  21.599  -2.832
  171    HB2  ASN  22           HB2      ASN  22  57.596  21.602  -4.745
  172    HB3  ASN  22           HB1      ASN  22  55.973  20.960  -5.128
  173   HD21  ASN  22          HD21      ASN  22  58.031  23.930  -5.399
  174   HD22  ASN  22          HD22      ASN  22  57.164  24.575  -6.797
  175    H    HIS  23           HN       HIS  23  55.365  23.816  -1.606
  176    HA   HIS  23           HA       HIS  23  56.259  25.727  -0.597
  177    HB2  HIS  23           HB2      HIS  23  57.782  23.947   0.250
  178    HB3  HIS  23           HB1      HIS  23  58.884  24.274  -1.108
  179    HD1  HIS  23           HD1      HIS  23  57.638  25.681   2.165
  180    HD2  HIS  23           HD2      HIS  23  60.218  26.824  -0.952
  181    HE1  HIS  23           HE1      HIS  23  59.005  27.671   3.000
  182    H    HIS  24           HN       HIS  24  55.885  27.470  -1.876
  183    HA   HIS  24           HA       HIS  24  57.379  27.956  -4.318
  184    HB2  HIS  24           HB2      HIS  24  56.275  30.175  -4.254
  185    HB3  HIS  24           HB1      HIS  24  55.115  28.852  -3.984
  186    HD1  HIS  24           HD1      HIS  24  54.573  28.312  -1.356
  187    HD2  HIS  24           HD2      HIS  24  56.223  32.076  -2.245
  188    HE1  HIS  24           HE1      HIS  24  54.181  29.815   0.674
  Start of MODEL   56
    1    H1   PHE   1           HT1      PHE   1  62.357   7.166  -9.351
    2    H2   PHE   1           HT2      PHE   1  61.901   6.503  -7.855
    3    H3   PHE   1           HT3      PHE   1  60.728   7.171  -8.886
    4    HA   PHE   1           HA       PHE   1  61.497   5.453 -10.560
    5    HB2  PHE   1           HB2      PHE   1  62.473   4.245  -7.940
    6    HB3  PHE   1           HB1      PHE   1  62.388   3.404  -9.507
    7    HD1  PHE   1           HD1      PHE   1  64.015   6.209  -7.653
    8    HD2  PHE   1           HD2      PHE   1  64.054   3.771 -11.216
    9    HE1  PHE   1           HE1      PHE   1  66.249   7.128  -8.256
   10    HE2  PHE   1           HE2      PHE   1  66.290   4.691 -11.818
   11    HZ   PHE   1           HZ       PHE   1  67.437   6.277 -10.276
   12    H    LEU   2           HN       LEU   2  60.382   5.199  -7.163
   13    HA   LEU   2           HA       LEU   2  58.316   3.264  -7.781
   14    HB2  LEU   2           HB2      LEU   2  58.302   5.176  -5.422
   15    HB3  LEU   2           HB1      LEU   2  57.629   3.532  -5.521
   16    HG   LEU   2           HG       LEU   2  60.586   4.283  -5.606
   17   HD11  LEU   2          HD11      LEU   2  58.889   2.808  -3.543
   18   HD12  LEU   2          HD12      LEU   2  59.569   4.444  -3.365
   19   HD13  LEU   2          HD13      LEU   2  60.652   3.034  -3.455
   20   HD21  LEU   2          HD21      LEU   2  60.809   1.707  -5.422
   21   HD22  LEU   2          HD22      LEU   2  60.346   2.362  -7.010
   22   HD23  LEU   2          HD23      LEU   2  59.110   1.640  -5.950
   23    H    GLY   3           HN       GLY   3  56.054   4.229  -6.529
   24    HA2  GLY   3           HA1      GLY   3  55.212   6.779  -7.583
   25    HA3  GLY   3           HA2      GLY   3  54.655   5.454  -8.625
   26    H    ALA   4           HN       ALA   4  55.019   5.797  -5.071
   27    HA   ALA   4           HA       ALA   4  52.138   5.869  -4.655
   28    HB1  ALA   4           HB1      ALA   4  51.943   3.685  -3.534
   29    HB2  ALA   4           HB2      ALA   4  53.620   3.302  -3.990
   30    HB3  ALA   4           HB3      ALA   4  52.378   3.494  -5.249
   31    H    LEU   5           HN       LEU   5  55.267   4.860  -3.210
   32    HA   LEU   5           HA       LEU   5  54.515   5.693  -0.543
   33    HB2  LEU   5           HB2      LEU   5  57.360   5.500  -1.582
   34    HB3  LEU   5           HB1      LEU   5  56.755   5.196   0.064
   35    HG   LEU   5           HG       LEU   5  56.220   3.513  -2.424
   36   HD11  LEU   5          HD11      LEU   5  57.513   1.817  -1.281
   37   HD12  LEU   5          HD12      LEU   5  57.589   2.797   0.202
   38   HD13  LEU   5          HD13      LEU   5  58.467   3.318  -1.256
   39   HD21  LEU   5          HD21      LEU   5  55.094   1.983  -0.669
   40   HD22  LEU   5          HD22      LEU   5  54.192   3.438  -1.148
   41   HD23  LEU   5          HD23      LEU   5  55.074   3.407   0.398
   42    H    ILE   6           HN       ILE   6  56.790   7.130  -2.936
   43    HA   ILE   6           HA       ILE   6  56.846   9.669  -1.383
   44    HB   ILE   6           HB       ILE   6  58.350  10.462  -3.180
   45   HG12  ILE   6          HG12      ILE   6  57.601   7.846  -4.574
   46   HG13  ILE   6          HG11      ILE   6  57.213   9.488  -5.136
   47   HG21  ILE   6          HG21      ILE   6  60.169   8.949  -2.814
   48   HG22  ILE   6          HG22      ILE   6  59.072   7.559  -2.622
   49   HG23  ILE   6          HG23      ILE   6  59.141   8.820  -1.368
   50   HD11  ILE   6           HD1      ILE   6  59.788   9.895  -5.091
   51   HD12  ILE   6           HD2      ILE   6  59.125   8.892  -6.403
   52   HD13  ILE   6           HD3      ILE   6  59.920   8.122  -5.011
   53    H    LYS   7           HN       LYS   7  56.970  11.384  -3.801
   54    HA   LYS   7           HA       LYS   7  55.390  12.883  -4.627
   55    HB2  LYS   7           HB2      LYS   7  54.714  10.682  -5.971
   56    HB3  LYS   7           HB1      LYS   7  53.347  10.624  -4.834
   57    HG2  LYS   7           HG2      LYS   7  52.594  12.833  -5.538
   58    HG3  LYS   7           HG1      LYS   7  54.043  13.052  -6.548
   59    HD2  LYS   7           HD2      LYS   7  53.374  11.203  -7.998
   60    HD3  LYS   7           HD1      LYS   7  51.982  10.842  -6.949
   61    HE2  LYS   7           HE2      LYS   7  51.117  13.167  -7.401
   62    HE3  LYS   7           HE1      LYS   7  52.440  13.380  -8.573
   63    HZ1  LYS   7           HZ1      LYS   7  50.276  12.608  -9.530
   64    HZ2  LYS   7           HZ2      LYS   7  50.489  11.140  -8.702
   65    HZ3  LYS   7           HZ3      LYS   7  51.604  11.618  -9.891
   66    H    GLY   8           HN       GLY   8  55.939  11.884  -2.173
   67    HA2  GLY   8           HA1      GLY   8  55.400  11.583  -0.052
   68    HA3  GLY   8           HA2      GLY   8  54.692  13.236  -0.217
   69    H    ALA   9           HN       ALA   9  54.098   9.771  -0.295
   70    HA   ALA   9           HA       ALA   9  52.212   8.511   0.099
   71    HB1  ALA   9           HB1      ALA   9  51.045  11.008   1.368
   72    HB2  ALA   9           HB2      ALA   9  52.223   9.951   2.182
   73    HB3  ALA   9           HB3      ALA   9  50.630   9.312   1.710
   74    H    ILE  10           HN       ILE  10  52.104   8.767  -2.328
   75    HA   ILE  10           HA       ILE  10  50.784   8.930  -4.202
   76    HB   ILE  10           HB       ILE  10  48.731   9.045  -2.004
   77   HG12  ILE  10          HG12      ILE  10  48.699   7.550  -4.656
   78   HG13  ILE  10          HG11      ILE  10  49.628   6.983  -3.252
   79   HG21  ILE  10          HG21      ILE  10  47.764  10.847  -3.230
   80   HG22  ILE  10          HG22      ILE  10  46.881   9.397  -3.748
   81   HG23  ILE  10          HG23      ILE  10  48.139  10.086  -4.796
   82   HD11  ILE  10           HD1      ILE  10  47.629   5.812  -2.930
   83   HD12  ILE  10           HD2      ILE  10  46.630   7.092  -3.645
   84   HD13  ILE  10           HD3      ILE  10  47.266   7.278  -1.995
   85    H    HIS  11           HN       HIS  11  49.490  11.545  -2.083
   86    HA   HIS  11           HA       HIS  11  50.742  13.579  -3.814
   87    HB2  HIS  11           HB2      HIS  11  48.671  13.043  -5.060
   88    HB3  HIS  11           HB1      HIS  11  47.712  13.326  -3.587
   89    HD1  HIS  11           HD1      HIS  11  47.386  15.767  -2.780
   90    HD2  HIS  11           HD2      HIS  11  49.662  15.412  -6.300
   91    HE1  HIS  11           HE1      HIS  11  47.646  18.112  -3.759
   92    H    GLY  12           HN       GLY  12  49.858  12.349  -0.926
   93    HA2  GLY  12           HA1      GLY  12  49.717  13.236   1.212
   94    HA3  GLY  12           HA2      GLY  12  50.599  14.640   0.574
   95    H    GLY  13           HN       GLY  13  47.602  13.792  -0.927
   96    HA2  GLY  13           HA1      GLY  13  45.960  15.532   0.790
   97    HA3  GLY  13           HA2      GLY  13  46.336  16.204  -0.811
   98    H    ARG  14           HN       ARG  14  46.432  13.472  -2.016
   99    HA   ARG  14           HA       ARG  14  43.469  13.165  -2.324
  100    HB2  ARG  14           HB2      ARG  14  45.426  13.387  -4.219
  101    HB3  ARG  14           HB1      ARG  14  45.390  11.622  -4.059
  102    HG2  ARG  14           HG2      ARG  14  43.008  13.435  -4.680
  103    HG3  ARG  14           HG1      ARG  14  43.839  12.362  -5.828
  104    HD2  ARG  14           HD2      ARG  14  42.121  11.597  -3.439
  105    HD3  ARG  14           HD1      ARG  14  41.902  11.155  -5.145
  106    HE   ARG  14           HE       ARG  14  44.420  10.128  -4.267
  107   HH11  ARG  14          HH11      ARG  14  44.234   7.824  -4.697
  108   HH12  ARG  14          HH12      ARG  14  42.933   6.987  -3.919
  109   HH21  ARG  14          HH21      ARG  14  41.349   9.888  -2.865
  110   HH22  ARG  14          HH22      ARG  14  41.299   8.157  -2.880
  111    H    PHE  15           HN       PHE  15  46.322  11.674  -1.017
  112    HA   PHE  15           HA       PHE  15  45.841   8.956  -1.012
  113    HB2  PHE  15           HB2      PHE  15  47.709  10.118   0.182
  114    HB3  PHE  15           HB1      PHE  15  46.567  10.559   1.471
  115    HD1  PHE  15           HD1      PHE  15  48.647   7.903   0.066
  116    HD2  PHE  15           HD2      PHE  15  45.381   8.729   2.764
  117    HE1  PHE  15           HE1      PHE  15  48.958   5.672   1.127
  118    HE2  PHE  15           HE2      PHE  15  45.695   6.498   3.826
  119    HZ   PHE  15           HZ       PHE  15  47.441   4.945   2.964
  120    H    ILE  16           HN       ILE  16  44.598  11.081   1.627
  121    HA   ILE  16           HA       ILE  16  42.714   9.035   2.483
  122    HB   ILE  16           HB       ILE  16  42.615  12.005   3.176
  123   HG12  ILE  16          HG12      ILE  16  44.197   9.769   4.528
  124   HG13  ILE  16          HG11      ILE  16  44.909  11.062   3.533
  125   HG21  ILE  16          HG21      ILE  16  41.826   9.535   4.780
  126   HG22  ILE  16          HG22      ILE  16  40.680  10.474   3.794
  127   HG23  ILE  16          HG23      ILE  16  41.492  11.234   5.181
  128   HD11  ILE  16           HD1      ILE  16  43.664  12.687   5.189
  129   HD12  ILE  16           HD2      ILE  16  45.161  11.892   5.730
  130   HD13  ILE  16           HD3      ILE  16  43.584  11.263   6.255
  131    H    HIS  17           HN       HIS  17  41.845  12.413   1.623
  132    HA   HIS  17           HA       HIS  17  40.247  11.749  -0.656
  133    HB2  HIS  17           HB2      HIS  17  38.800  10.563   0.956
  134    HB3  HIS  17           HB1      HIS  17  38.721  12.018   1.973
  135    HD1  HIS  17           HD1      HIS  17  36.968  13.739   1.416
  136    HD2  HIS  17           HD2      HIS  17  37.616  11.034  -1.737
  137    HE1  HIS  17           HE1      HIS  17  35.182  14.192  -0.355
  138    H    GLY  18           HN       GLY  18  41.724  13.617  -0.988
  139    HA2  GLY  18           HA1      GLY  18  42.000  15.910  -1.244
  140    HA3  GLY  18           HA2      GLY  18  40.275  16.078  -0.908
  141    H    MET  19           HN       MET  19  42.997  14.875   1.033
  142    HA   MET  19           HA       MET  19  43.421  15.457   3.192
  143    HB2  MET  19           HB2      MET  19  44.458  17.262   1.770
  144    HB3  MET  19           HB1      MET  19  43.094  18.256   2.308
  145    HG2  MET  19           HG2      MET  19  43.859  18.327   4.543
  146    HG3  MET  19           HG1      MET  19  44.839  16.854   4.362
  147    HE1  MET  19           HE1      MET  19  46.901  17.854   5.460
  148    HE2  MET  19           HE2      MET  19  45.930  19.304   5.804
  149    HE3  MET  19           HE3      MET  19  47.559  19.470   5.106
  150    H    ILE  20           HN       ILE  20  40.516  15.334   2.405
  151    HA   ILE  20           HA       ILE  20  38.522  15.688   3.544
  152    HB   ILE  20           HB       ILE  20  40.181  16.322   6.033
  153   HG12  ILE  20          HG12      ILE  20  41.037  14.206   5.329
  154   HG13  ILE  20          HG11      ILE  20  39.813  13.816   6.551
  155   HG21  ILE  20          HG21      ILE  20  37.911  16.871   6.414
  156   HG22  ILE  20          HG22      ILE  20  38.087  15.249   7.113
  157   HG23  ILE  20          HG23      ILE  20  37.312  15.455   5.528
  158   HD11  ILE  20           HD1      ILE  20  39.426  12.296   4.745
  159   HD12  ILE  20           HD2      ILE  20  39.596  13.578   3.526
  160   HD13  ILE  20           HD3      ILE  20  38.165  13.534   4.578
  161    H    GLN  21           HN       GLN  21  41.100  17.833   3.172
  162    HA   GLN  21           HA       GLN  21  39.402  20.240   3.957
  163    HB2  GLN  21           HB2      GLN  21  41.855  19.922   4.775
  164    HB3  GLN  21           HB1      GLN  21  42.320  20.308   3.103
  165    HG2  GLN  21           HG2      GLN  21  40.895  22.409   3.295
  166    HG3  GLN  21           HG1      GLN  21  40.739  22.053   5.032
  167   HE21  GLN  21          HE21      GLN  21  41.972  24.436   4.517
  168   HE22  GLN  21          HE22      GLN  21  43.719  24.300   4.737
  169    H    ASN  22           HN       ASN  22  41.287  18.730   1.300
  170    HA   ASN  22           HA       ASN  22  40.345  20.769  -0.620
  171    HB2  ASN  22           HB2      ASN  22  42.091  18.275  -0.719
  172    HB3  ASN  22           HB1      ASN  22  41.491  19.029  -2.221
  173   HD21  ASN  22          HD21      ASN  22  43.808  19.547  -2.726
  174   HD22  ASN  22          HD22      ASN  22  44.558  20.937  -1.936
  175    H    HIS  23           HN       HIS  23  39.637  17.577   0.679
  176    HA   HIS  23           HA       HIS  23  37.999  16.012   0.055
  177    HB2  HIS  23           HB2      HIS  23  35.716  17.000  -0.034
  178    HB3  HIS  23           HB1      HIS  23  36.691  17.642   1.309
  179    HD1  HIS  23           HD1      HIS  23  36.002  18.556  -2.372
  180    HD2  HIS  23           HD2      HIS  23  36.751  20.400   1.331
  181    HE1  HIS  23           HE1      HIS  23  35.789  21.078  -2.720
  182    H    HIS  24           HN       HIS  24  39.599  17.215  -2.230
  183    HA   HIS  24           HA       HIS  24  39.576  17.135  -4.551
  184    HB2  HIS  24           HB2      HIS  24  39.152  14.747  -4.088
  185    HB3  HIS  24           HB1      HIS  24  37.402  15.064  -4.041
  186    HD1  HIS  24           HD1      HIS  24  39.379  16.995  -6.554
  187    HD2  HIS  24           HD2      HIS  24  37.085  13.473  -6.436
  188    HE1  HIS  24           HE1      HIS  24  38.965  16.274  -8.969
  Start of MODEL   57
    1    H1   PHE   1           HT1      PHE   1  48.840   3.291   4.259
    2    H2   PHE   1           HT2      PHE   1  49.176   3.017   5.903
    3    H3   PHE   1           HT3      PHE   1  48.832   1.711   4.872
    4    HA   PHE   1           HA       PHE   1  51.282   3.065   5.371
    5    HB2  PHE   1           HB2      PHE   1  50.735   0.527   3.793
    6    HB3  PHE   1           HB1      PHE   1  52.208   0.971   4.689
    7    HD1  PHE   1           HD1      PHE   1  48.840  -0.450   4.920
    8    HD2  PHE   1           HD2      PHE   1  52.153   1.114   7.202
    9    HE1  PHE   1           HE1      PHE   1  47.917  -1.502   6.982
   10    HE2  PHE   1           HE2      PHE   1  51.229   0.062   9.264
   11    HZ   PHE   1           HZ       PHE   1  49.132  -1.279   9.146
   12    H    LEU   2           HN       LEU   2  52.429   1.673   2.939
   13    HA   LEU   2           HA       LEU   2  52.488   4.024   1.242
   14    HB2  LEU   2           HB2      LEU   2  53.400   1.233   0.462
   15    HB3  LEU   2           HB1      LEU   2  54.029   2.800  -0.100
   16    HG   LEU   2           HG       LEU   2  54.247   1.679   2.730
   17   HD11  LEU   2          HD11      LEU   2  56.320   2.184   0.548
   18   HD12  LEU   2          HD12      LEU   2  55.751   0.592   1.105
   19   HD13  LEU   2          HD13      LEU   2  56.680   1.640   2.203
   20   HD21  LEU   2          HD21      LEU   2  54.082   4.050   2.969
   21   HD22  LEU   2          HD22      LEU   2  55.022   4.352   1.488
   22   HD23  LEU   2          HD23      LEU   2  55.829   3.730   2.947
   23    H    GLY   3           HN       GLY   3  51.970   4.043  -1.067
   24    HA2  GLY   3           HA1      GLY   3  50.123   2.102  -2.153
   25    HA3  GLY   3           HA2      GLY   3  49.264   3.540  -1.572
   26    H    ALA   4           HN       ALA   4  52.359   4.452  -2.443
   27    HA   ALA   4           HA       ALA   4  52.064   4.591  -5.318
   28    HB1  ALA   4           HB1      ALA   4  50.288   6.202  -4.640
   29    HB2  ALA   4           HB2      ALA   4  51.606   6.963  -5.563
   30    HB3  ALA   4           HB3      ALA   4  51.525   7.162  -3.795
   31    H    LEU   5           HN       LEU   5  53.740   4.743  -2.483
   32    HA   LEU   5           HA       LEU   5  55.929   5.267  -1.937
   33    HB2  LEU   5           HB2      LEU   5  56.140   4.853  -4.938
   34    HB3  LEU   5           HB1      LEU   5  57.567   5.221  -3.950
   35    HG   LEU   5           HG       LEU   5  57.091   2.740  -4.402
   36   HD11  LEU   5          HD11      LEU   5  58.496   3.719  -2.452
   37   HD12  LEU   5          HD12      LEU   5  57.926   2.045  -2.299
   38   HD13  LEU   5          HD13      LEU   5  57.097   3.344  -1.420
   39   HD21  LEU   5          HD21      LEU   5  54.590   2.987  -4.022
   40   HD22  LEU   5          HD22      LEU   5  54.933   3.114  -2.281
   41   HD23  LEU   5          HD23      LEU   5  55.349   1.628  -3.164
   42    H    ILE   6           HN       ILE   6  56.189   7.227  -1.092
   43    HA   ILE   6           HA       ILE   6  56.439   9.553  -0.943
   44    HB   ILE   6           HB       ILE   6  57.623   9.582  -3.765
   45   HG12  ILE   6          HG12      ILE   6  58.886   8.300  -1.296
   46   HG13  ILE   6          HG11      ILE   6  58.489   7.488  -2.827
   47   HG21  ILE   6          HG21      ILE   6  57.464  11.583  -2.073
   48   HG22  ILE   6          HG22      ILE   6  59.022  11.280  -2.874
   49   HG23  ILE   6          HG23      ILE   6  58.766  10.748  -1.195
   50   HD11  ILE   6           HD1      ILE   6  60.053   9.190  -3.963
   51   HD12  ILE   6           HD2      ILE   6  60.830   7.953  -2.946
   52   HD13  ILE   6           HD3      ILE   6  60.611   9.606  -2.324
   53    H    LYS   7           HN       LYS   7  56.567  11.198  -3.593
   54    HA   LYS   7           HA       LYS   7  54.956  12.666  -4.412
   55    HB2  LYS   7           HB2      LYS   7  54.182  10.328  -5.511
   56    HB3  LYS   7           HB1      LYS   7  52.839  10.482  -4.363
   57    HG2  LYS   7           HG2      LYS   7  51.966  11.565  -6.263
   58    HG3  LYS   7           HG1      LYS   7  52.621  12.935  -5.338
   59    HD2  LYS   7           HD2      LYS   7  54.646  12.954  -6.716
   60    HD3  LYS   7           HD1      LYS   7  54.132  11.472  -7.556
   61    HE2  LYS   7           HE2      LYS   7  52.158  12.643  -8.453
   62    HE3  LYS   7           HE1      LYS   7  52.630  14.126  -7.587
   63    HZ1  LYS   7           HZ1      LYS   7  53.318  14.003  -9.982
   64    HZ2  LYS   7           HZ2      LYS   7  54.392  12.758  -9.553
   65    HZ3  LYS   7           HZ3      LYS   7  54.579  14.311  -8.889
   66    H    GLY   8           HN       GLY   8  55.607  11.831  -1.922
   67    HA2  GLY   8           HA1      GLY   8  55.139  11.657   0.244
   68    HA3  GLY   8           HA2      GLY   8  54.525  13.339   0.000
   69    H    ALA   9           HN       ALA   9  53.728   9.931   0.214
   70    HA   ALA   9           HA       ALA   9  51.776   8.819   0.708
   71    HB1  ALA   9           HB1      ALA   9  50.987  11.467   1.977
   72    HB2  ALA   9           HB2      ALA   9  51.955  10.201   2.766
   73    HB3  ALA   9           HB3      ALA   9  50.265   9.876   2.312
   74    H    ILE  10           HN       ILE  10  51.530   8.946  -1.679
   75    HA   ILE  10           HA       ILE  10  50.122   9.130  -3.493
   76    HB   ILE  10           HB       ILE  10  48.183   9.806  -1.255
   77   HG12  ILE  10          HG12      ILE  10  46.941   7.926  -2.276
   78   HG13  ILE  10          HG11      ILE  10  48.130   7.851  -3.597
   79   HG21  ILE  10          HG21      ILE  10  47.407  11.482  -2.735
   80   HG22  ILE  10          HG22      ILE  10  46.367  10.076  -3.071
   81   HG23  ILE  10          HG23      ILE  10  47.707  10.476  -4.174
   82   HD11  ILE  10           HD1      ILE  10  48.842   7.546  -0.648
   83   HD12  ILE  10           HD2      ILE  10  49.907   7.266  -2.047
   84   HD13  ILE  10           HD3      ILE  10  48.534   6.175  -1.742
   85    H    HIS  11           HN       HIS  11  49.224  12.011  -1.557
   86    HA   HIS  11           HA       HIS  11  50.602  13.758  -3.543
   87    HB2  HIS  11           HB2      HIS  11  47.640  13.849  -2.855
   88    HB3  HIS  11           HB1      HIS  11  48.514  15.182  -3.649
   89    HD1  HIS  11           HD1      HIS  11  50.299  13.670  -5.624
   90    HD2  HIS  11           HD2      HIS  11  46.284  12.628  -4.936
   91    HE1  HIS  11           HE1      HIS  11  49.469  12.427  -7.696
   92    H    GLY  12           HN       GLY  12  49.689  12.800  -0.487
   93    HA2  GLY  12           HA1      GLY  12  50.260  13.688   1.584
   94    HA3  GLY  12           HA2      GLY  12  51.056  15.040   0.759
   95    H    GLY  13           HN       GLY  13  47.860  14.654  -0.354
   96    HA2  GLY  13           HA1      GLY  13  46.342  15.831   1.711
   97    HA3  GLY  13           HA2      GLY  13  47.078  17.167   0.809
   98    H    ARG  14           HN       ARG  14  45.668  14.001  -0.212
   99    HA   ARG  14           HA       ARG  14  43.353  15.356  -1.363
  100    HB2  ARG  14           HB2      ARG  14  45.051  15.889  -3.103
  101    HB3  ARG  14           HB1      ARG  14  45.389  14.155  -3.280
  102    HG2  ARG  14           HG2      ARG  14  43.843  14.937  -5.042
  103    HG3  ARG  14           HG1      ARG  14  43.056  13.744  -3.991
  104    HD2  ARG  14           HD2      ARG  14  41.666  15.355  -2.989
  105    HD3  ARG  14           HD1      ARG  14  42.784  16.696  -3.347
  106    HE   ARG  14           HE       ARG  14  41.978  15.816  -5.853
  107   HH11  ARG  14          HH11      ARG  14  39.631  15.270  -3.715
  108   HH12  ARG  14          HH12      ARG  14  38.580  16.569  -4.170
  109   HH21  ARG  14          HH21      ARG  14  40.959  18.161  -6.128
  110   HH22  ARG  14          HH22      ARG  14  39.331  18.205  -5.538
  111    H    PHE  15           HN       PHE  15  45.356  12.561  -0.773
  112    HA   PHE  15           HA       PHE  15  43.872  10.460  -1.830
  113    HB2  PHE  15           HB2      PHE  15  45.942  10.142  -0.550
  114    HB3  PHE  15           HB1      PHE  15  45.108  10.616   0.948
  115    HD1  PHE  15           HD1      PHE  15  44.307   8.860   2.313
  116    HD2  PHE  15           HD2      PHE  15  44.620   8.231  -1.951
  117    HE1  PHE  15           HE1      PHE  15  43.541   6.509   2.600
  118    HE2  PHE  15           HE2      PHE  15  43.852   5.882  -1.658
  119    HZ   PHE  15           HZ       PHE  15  43.364   5.005   0.621
  120    H    ILE  16           HN       ILE  16  42.838  12.779   0.510
  121    HA   ILE  16           HA       ILE  16  40.279  11.244   0.855
  122    HB   ILE  16           HB       ILE  16  41.542  12.881   3.094
  123   HG12  ILE  16          HG12      ILE  16  42.858  10.739   2.462
  124   HG13  ILE  16          HG11      ILE  16  42.336  10.904   4.147
  125   HG21  ILE  16          HG21      ILE  16  39.167  12.757   3.322
  126   HG22  ILE  16          HG22      ILE  16  39.829  11.539   4.435
  127   HG23  ILE  16          HG23      ILE  16  39.136  11.035   2.880
  128   HD11  ILE  16           HD1      ILE  16  40.516   9.352   3.831
  129   HD12  ILE  16           HD2      ILE  16  41.961   8.607   3.115
  130   HD13  ILE  16           HD3      ILE  16  40.737   9.347   2.067
  131    H    HIS  17           HN       HIS  17  41.363  14.418   2.206
  132    HA   HIS  17           HA       HIS  17  39.675  15.805   0.178
  133    HB2  HIS  17           HB2      HIS  17  39.098  15.866   3.165
  134    HB3  HIS  17           HB1      HIS  17  38.407  16.998   1.980
  135    HD1  HIS  17           HD1      HIS  17  37.712  15.171  -0.353
  136    HD2  HIS  17           HD2      HIS  17  37.045  14.081   3.655
  137    HE1  HIS  17           HE1      HIS  17  35.875  13.396  -0.343
  138    H    GLY  18           HN       GLY  18  42.549  15.565   1.407
  139    HA2  GLY  18           HA1      GLY  18  44.296  17.046   1.729
  140    HA3  GLY  18           HA2      GLY  18  43.299  18.266   0.907
  141    H    MET  19           HN       MET  19  42.975  16.434   3.930
  142    HA   MET  19           HA       MET  19  43.541  18.566   5.759
  143    HB2  MET  19           HB2      MET  19  41.618  19.547   4.780
  144    HB3  MET  19           HB1      MET  19  40.710  18.073   5.060
  145    HG2  MET  19           HG2      MET  19  40.753  18.382   7.444
  146    HG3  MET  19           HG1      MET  19  41.999  19.646   7.317
  147    HE1  MET  19           HE1      MET  19  38.348  18.774   7.560
  148    HE2  MET  19           HE2      MET  19  38.532  18.681   5.793
  149    HE3  MET  19           HE3      MET  19  37.493  19.932   6.513
  150    H    ILE  20           HN       ILE  20  41.166  15.926   5.139
  151    HA   ILE  20           HA       ILE  20  41.511  14.852   7.853
  152    HB   ILE  20           HB       ILE  20  40.416  13.679   5.243
  153   HG12  ILE  20          HG12      ILE  20  38.289  13.710   6.415
  154   HG13  ILE  20          HG11      ILE  20  39.081  14.119   7.953
  155   HG21  ILE  20          HG21      ILE  20  39.726  11.710   6.784
  156   HG22  ILE  20          HG22      ILE  20  40.955  12.322   7.917
  157   HG23  ILE  20          HG23      ILE  20  41.434  11.782   6.290
  158   HD11  ILE  20           HD1      ILE  20  37.947  16.055   6.663
  159   HD12  ILE  20           HD2      ILE  20  39.300  15.923   5.516
  160   HD13  ILE  20           HD3      ILE  20  39.615  16.321   7.221
  161    H    GLN  21           HN       GLN  21  43.186  15.356   5.081
  162    HA   GLN  21           HA       GLN  21  45.351  13.429   5.752
  163    HB2  GLN  21           HB2      GLN  21  44.045  12.989   3.560
  164    HB3  GLN  21           HB1      GLN  21  44.754  14.509   2.970
  165    HG2  GLN  21           HG2      GLN  21  46.231  12.757   2.244
  166    HG3  GLN  21           HG1      GLN  21  47.040  13.545   3.619
  167   HE21  GLN  21          HE21      GLN  21  44.538  10.923   3.192
  168   HE22  GLN  21          HE22      GLN  21  45.310   9.824   4.339
  169    H    ASN  22           HN       ASN  22  44.228  16.868   5.111
  170    HA   ASN  22           HA       ASN  22  47.229  17.570   5.182
  171    HB2  ASN  22           HB2      ASN  22  45.734  18.288   3.162
  172    HB3  ASN  22           HB1      ASN  22  45.075  19.495   4.285
  173   HD21  ASN  22          HD21      ASN  22  46.766  19.995   1.868
  174   HD22  ASN  22          HD22      ASN  22  48.207  20.817   2.474
  175    H    HIS  23           HN       HIS  23  45.024  17.069   7.352
  176    HA   HIS  23           HA       HIS  23  44.353  18.079   9.353
  177    HB2  HIS  23           HB2      HIS  23  47.278  18.881   9.134
  178    HB3  HIS  23           HB1      HIS  23  46.311  19.045  10.619
  179    HD1  HIS  23           HD1      HIS  23  45.167  16.730  11.512
  180    HD2  HIS  23           HD2      HIS  23  48.393  16.364   8.841
  181    HE1  HIS  23           HE1      HIS  23  46.010  14.322  11.662
  182    H    HIS  24           HN       HIS  24  44.250  19.834   6.793
  183    HA   HIS  24           HA       HIS  24  44.808  22.521   7.440
  184    HB2  HIS  24           HB2      HIS  24  44.016  21.569   5.210
  185    HB3  HIS  24           HB1      HIS  24  42.369  21.586   5.883
  186    HD1  HIS  24           HD1      HIS  24  45.265  23.925   5.023
  187    HD2  HIS  24           HD2      HIS  24  41.143  24.095   5.835
  188    HE1  HIS  24           HE1      HIS  24  44.503  26.327   4.600
  Start of MODEL   58
    1    H1   PHE   1           HT1      PHE   1  63.858  -1.004   1.156
    2    H2   PHE   1           HT2      PHE   1  63.361  -1.283   2.756
    3    H3   PHE   1           HT3      PHE   1  63.407   0.300   2.140
    4    HA   PHE   1           HA       PHE   1  61.831  -1.216   0.440
    5    HB2  PHE   1           HB2      PHE   1  61.134  -1.475   3.393
    6    HB3  PHE   1           HB1      PHE   1  60.046  -1.885   2.044
    7    HD1  PHE   1           HD1      PHE   1  60.416  -3.866   0.675
    8    HD2  PHE   1           HD2      PHE   1  63.188  -2.798   3.806
    9    HE1  PHE   1           HE1      PHE   1  61.481  -6.112   0.499
   10    HE2  PHE   1           HE2      PHE   1  64.254  -5.043   3.628
   11    HZ   PHE   1           HZ       PHE   1  63.451  -6.669   1.920
   12    H    LEU   2           HN       LEU   2  59.326  -0.401   1.248
   13    HA   LEU   2           HA       LEU   2  59.437   2.415   2.090
   14    HB2  LEU   2           HB2      LEU   2  58.376   3.251  -0.017
   15    HB3  LEU   2           HB1      LEU   2  60.068   2.753  -0.220
   16    HG   LEU   2           HG       LEU   2  57.909   0.680  -0.744
   17   HD11  LEU   2          HD11      LEU   2  57.684   1.461  -3.086
   18   HD12  LEU   2          HD12      LEU   2  58.666   2.895  -2.701
   19   HD13  LEU   2          HD13      LEU   2  57.075   2.674  -1.934
   20   HD21  LEU   2          HD21      LEU   2  60.614   1.349  -2.006
   21   HD22  LEU   2          HD22      LEU   2  59.536   0.053  -2.570
   22   HD23  LEU   2          HD23      LEU   2  60.243  -0.029  -0.943
   23    H    GLY   3           HN       GLY   3  57.048   3.346   1.271
   24    HA2  GLY   3           HA1      GLY   3  54.882   1.501   1.332
   25    HA3  GLY   3           HA2      GLY   3  55.226   2.005   2.997
   26    H    ALA   4           HN       ALA   4  55.411   3.802  -0.094
   27    HA   ALA   4           HA       ALA   4  52.984   5.300   0.419
   28    HB1  ALA   4           HB1      ALA   4  54.322   6.340   2.169
   29    HB2  ALA   4           HB2      ALA   4  54.074   7.497   0.839
   30    HB3  ALA   4           HB3      ALA   4  55.636   6.659   1.014
   31    H    LEU   5           HN       LEU   5  55.944   4.644  -1.267
   32    HA   LEU   5           HA       LEU   5  56.555   4.983  -3.469
   33    HB2  LEU   5           HB2      LEU   5  54.092   4.095  -3.685
   34    HB3  LEU   5           HB1      LEU   5  53.696   5.772  -4.112
   35    HG   LEU   5           HG       LEU   5  55.750   5.504  -5.812
   36   HD11  LEU   5          HD11      LEU   5  54.837   2.622  -5.375
   37   HD12  LEU   5          HD12      LEU   5  56.462   3.272  -5.054
   38   HD13  LEU   5          HD13      LEU   5  55.855   3.178  -6.722
   39   HD21  LEU   5          HD21      LEU   5  53.040   4.176  -6.275
   40   HD22  LEU   5          HD22      LEU   5  54.164   4.710  -7.548
   41   HD23  LEU   5          HD23      LEU   5  53.399   5.907  -6.475
   42    H    ILE   6           HN       ILE   6  56.279   7.253  -1.448
   43    HA   ILE   6           HA       ILE   6  56.450   9.596  -1.401
   44    HB   ILE   6           HB       ILE   6  57.658   9.503  -4.210
   45   HG12  ILE   6          HG12      ILE   6  58.895   8.289  -1.695
   46   HG13  ILE   6          HG11      ILE   6  58.471   7.425  -3.191
   47   HG21  ILE   6          HG21      ILE   6  57.521  11.561  -2.604
   48   HG22  ILE   6          HG22      ILE   6  59.090  11.197  -3.358
   49   HG23  ILE   6          HG23      ILE   6  58.787  10.737  -1.665
   50   HD11  ILE   6           HD1      ILE   6  60.647   9.507  -2.778
   51   HD12  ILE   6           HD2      ILE   6  60.065   9.056  -4.399
   52   HD13  ILE   6           HD3      ILE   6  60.818   7.831  -3.349
   53    H    LYS   7           HN       LYS   7  56.610  11.131  -4.102
   54    HA   LYS   7           HA       LYS   7  55.004  12.566  -5.008
   55    HB2  LYS   7           HB2      LYS   7  53.124  10.149  -4.915
   56    HB3  LYS   7           HB1      LYS   7  52.930  11.603  -5.924
   57    HG2  LYS   7           HG2      LYS   7  54.875  11.046  -7.243
   58    HG3  LYS   7           HG1      LYS   7  55.330   9.737  -6.124
   59    HD2  LYS   7           HD2      LYS   7  53.365   8.445  -6.731
   60    HD3  LYS   7           HD1      LYS   7  52.722   9.793  -7.700
   61    HE2  LYS   7           HE2      LYS   7  53.789   8.100  -9.155
   62    HE3  LYS   7           HE1      LYS   7  54.683   9.637  -9.213
   63    HZ1  LYS   7           HZ1      LYS   7  56.296   7.981  -8.931
   64    HZ2  LYS   7           HZ2      LYS   7  55.392   7.152  -7.757
   65    HZ3  LYS   7           HZ3      LYS   7  56.105   8.647  -7.383
   66    H    GLY   8           HN       GLY   8  55.624  11.835  -2.477
   67    HA2  GLY   8           HA1      GLY   8  55.106  11.726  -0.316
   68    HA3  GLY   8           HA2      GLY   8  54.485  13.393  -0.631
   69    H    ALA   9           HN       ALA   9  53.684   9.964  -0.438
   70    HA   ALA   9           HA       ALA   9  51.752   8.871   0.152
   71    HB1  ALA   9           HB1      ALA   9  51.897  10.589   2.047
   72    HB2  ALA   9           HB2      ALA   9  50.299   9.867   1.739
   73    HB3  ALA   9           HB3      ALA   9  50.661  11.511   1.161
   74    H    ILE  10           HN       ILE  10  51.914   9.479  -2.449
   75    HA   ILE  10           HA       ILE  10  50.589   9.465  -4.317
   76    HB   ILE  10           HB       ILE  10  48.736   8.719  -2.314
   77   HG12  ILE  10          HG12      ILE  10  48.286   8.888  -5.329
   78   HG13  ILE  10          HG11      ILE  10  49.158   7.587  -4.488
   79   HG21  ILE  10          HG21      ILE  10  47.349  10.764  -4.097
   80   HG22  ILE  10          HG22      ILE  10  47.811  11.100  -2.415
   81   HG23  ILE  10          HG23      ILE  10  46.639   9.820  -2.769
   82   HD11  ILE  10           HD1      ILE  10  46.197   8.235  -4.444
   83   HD12  ILE  10           HD2      ILE  10  46.935   7.369  -3.073
   84   HD13  ILE  10           HD3      ILE  10  47.000   6.671  -4.708
   85    H    HIS  11           HN       HIS  11  49.863  12.002  -1.925
   86    HA   HIS  11           HA       HIS  11  50.478  14.068  -3.850
   87    HB2  HIS  11           HB2      HIS  11  48.241  13.421  -4.723
   88    HB3  HIS  11           HB1      HIS  11  47.537  13.761  -3.124
   89    HD1  HIS  11           HD1      HIS  11  46.425  15.984  -3.113
   90    HD2  HIS  11           HD2      HIS  11  49.863  15.965  -5.535
   91    HE1  HIS  11           HE1      HIS  11  46.732  18.353  -4.019
   92    H    GLY  12           HN       GLY  12  49.979  12.859  -0.790
   93    HA2  GLY  12           HA1      GLY  12  50.527  13.867   1.247
   94    HA3  GLY  12           HA2      GLY  12  50.690  15.431   0.426
   95    H    GLY  13           HN       GLY  13  47.818  13.411   0.113
   96    HA2  GLY  13           HA1      GLY  13  46.328  14.578   2.265
   97    HA3  GLY  13           HA2      GLY  13  46.033  15.501   0.781
   98    H    ARG  14           HN       ARG  14  46.778  12.274   0.016
   99    HA   ARG  14           HA       ARG  14  45.356  10.617  -0.854
  100    HB2  ARG  14           HB2      ARG  14  43.494  11.450   1.356
  101    HB3  ARG  14           HB1      ARG  14  43.613   9.863   0.582
  102    HG2  ARG  14           HG2      ARG  14  45.845   9.529   1.517
  103    HG3  ARG  14           HG1      ARG  14  45.828  11.168   2.216
  104    HD2  ARG  14           HD2      ARG  14  43.785  10.533   3.531
  105    HD3  ARG  14           HD1      ARG  14  43.960   8.868   2.924
  106    HE   ARG  14           HE       ARG  14  46.430   9.750   4.125
  107   HH11  ARG  14          HH11      ARG  14  45.758   7.101   4.791
  108   HH12  ARG  14          HH12      ARG  14  45.023   7.182   6.356
  109   HH21  ARG  14          HH21      ARG  14  44.377  10.583   6.170
  110   HH22  ARG  14          HH22      ARG  14  44.241   9.153   7.138
  111    H    PHE  15           HN       PHE  15  45.152  13.512  -1.621
  112    HA   PHE  15           HA       PHE  15  43.833  14.825  -2.988
  113    HB2  PHE  15           HB2      PHE  15  42.856  12.032  -3.682
  114    HB3  PHE  15           HB1      PHE  15  42.111  13.463  -4.430
  115    HD1  PHE  15           HD1      PHE  15  44.785  11.101  -4.698
  116    HD2  PHE  15           HD2      PHE  15  43.810  15.248  -5.408
  117    HE1  PHE  15           HE1      PHE  15  46.671  11.270  -6.316
  118    HE2  PHE  15           HE2      PHE  15  45.698  15.413  -7.024
  119    HZ   PHE  15           HZ       PHE  15  47.166  13.442  -7.429
  120    H    ILE  16           HN       ILE  16  43.059  15.795  -1.071
  121    HA   ILE  16           HA       ILE  16  41.319  16.773   0.075
  122    HB   ILE  16           HB       ILE  16  39.338  14.912  -1.289
  123   HG12  ILE  16          HG12      ILE  16  40.438  15.918  -3.152
  124   HG13  ILE  16          HG11      ILE  16  39.023  16.946  -2.877
  125   HG21  ILE  16          HG21      ILE  16  39.128  17.603   0.112
  126   HG22  ILE  16          HG22      ILE  16  38.379  16.061   0.571
  127   HG23  ILE  16          HG23      ILE  16  37.825  16.916  -0.883
  128   HD11  ILE  16           HD1      ILE  16  40.884  18.425  -3.226
  129   HD12  ILE  16           HD2      ILE  16  41.915  17.512  -2.103
  130   HD13  ILE  16           HD3      ILE  16  40.552  18.467  -1.483
  131    H    HIS  17           HN       HIS  17  41.213  13.235  -0.268
  132    HA   HIS  17           HA       HIS  17  41.706  12.414   2.276
  133    HB2  HIS  17           HB2      HIS  17  38.947  13.621   2.246
  134    HB3  HIS  17           HB1      HIS  17  39.121  12.087   3.116
  135    HD1  HIS  17           HD1      HIS  17  38.874  15.326   4.098
  136    HD2  HIS  17           HD2      HIS  17  41.962  12.524   4.638
  137    HE1  HIS  17           HE1      HIS  17  40.283  16.116   6.078
  138    H    GLY  18           HN       GLY  18  42.235  10.984   0.179
  139    HA2  GLY  18           HA1      GLY  18  41.846   8.599  -0.208
  140    HA3  GLY  18           HA2      GLY  18  40.128   8.825   0.157
  141    H    MET  19           HN       MET  19  39.976  11.296  -1.271
  142    HA   MET  19           HA       MET  19  40.516  11.882  -3.624
  143    HB2  MET  19           HB2      MET  19  40.975   9.776  -4.624
  144    HB3  MET  19           HB1      MET  19  39.373   9.159  -4.215
  145    HG2  MET  19           HG2      MET  19  39.492   9.751  -6.593
  146    HG3  MET  19           HG1      MET  19  38.360  10.840  -5.771
  147    HE1  MET  19           HE1      MET  19  41.184  10.534  -8.147
  148    HE2  MET  19           HE2      MET  19  42.133  10.325  -6.656
  149    HE3  MET  19           HE3      MET  19  42.406  11.746  -7.692
  150    H    ILE  20           HN       ILE  20  39.458  13.611  -3.040
  151    HA   ILE  20           HA       ILE  20  37.622  15.031  -2.904
  152    HB   ILE  20           HB       ILE  20  35.953  13.024  -4.489
  153   HG12  ILE  20          HG12      ILE  20  38.055  14.960  -5.563
  154   HG13  ILE  20          HG11      ILE  20  38.112  13.189  -5.652
  155   HG21  ILE  20          HG21      ILE  20  36.058  16.060  -4.733
  156   HG22  ILE  20          HG22      ILE  20  35.053  15.263  -3.502
  157   HG23  ILE  20          HG23      ILE  20  34.757  14.950  -5.226
  158   HD11  ILE  20           HD1      ILE  20  35.847  13.351  -6.901
  159   HD12  ILE  20           HD2      ILE  20  37.305  13.861  -7.784
  160   HD13  ILE  20           HD3      ILE  20  36.221  15.083  -7.080
  161    H    GLN  21           HN       GLN  21  38.284  12.652  -1.309
  162    HA   GLN  21           HA       GLN  21  37.448  11.976   0.812
  163    HB2  GLN  21           HB2      GLN  21  35.568  13.841   0.509
  164    HB3  GLN  21           HB1      GLN  21  34.559  12.469  -0.002
  165    HG2  GLN  21           HG2      GLN  21  34.219  12.697   2.361
  166    HG3  GLN  21           HG1      GLN  21  35.289  11.290   2.153
  167   HE21  GLN  21          HE21      GLN  21  36.462  11.438   4.132
  168   HE22  GLN  21          HE22      GLN  21  37.480  12.828   4.526
  169    H    ASN  22           HN       ASN  22  38.029  10.778  -1.639
  170    HA   ASN  22           HA       ASN  22  37.587   8.962  -2.987
  171    HB2  ASN  22           HB2      ASN  22  37.241   6.835  -1.570
  172    HB3  ASN  22           HB1      ASN  22  38.719   7.814  -1.331
  173   HD21  ASN  22          HD21      ASN  22  35.774   6.631   0.193
  174   HD22  ASN  22          HD22      ASN  22  36.033   7.423   1.750
  175    H    HIS  23           HN       HIS  23  35.724  10.440  -3.482
  176    HA   HIS  23           HA       HIS  23  33.071   9.349  -2.797
  177    HB2  HIS  23           HB2      HIS  23  33.489  11.767  -3.284
  178    HB3  HIS  23           HB1      HIS  23  33.857  11.330  -4.970
  179    HD1  HIS  23           HD1      HIS  23  31.168   9.428  -3.158
  180    HD2  HIS  23           HD2      HIS  23  31.434  12.706  -5.778
  181    HE1  HIS  23           HE1      HIS  23  28.819   9.880  -4.054
  182    H    HIS  24           HN       HIS  24  35.523   8.305  -4.809
  183    HA   HIS  24           HA       HIS  24  33.995   7.552  -7.149
  184    HB2  HIS  24           HB2      HIS  24  36.593   6.471  -5.990
  185    HB3  HIS  24           HB1      HIS  24  35.936   6.027  -7.584
  186    HD1  HIS  24           HD1      HIS  24  35.052   9.478  -6.926
  187    HD2  HIS  24           HD2      HIS  24  38.455   7.492  -8.395
  188    HE1  HIS  24           HE1      HIS  24  36.512  11.224  -8.087
  Start of MODEL   59
    1    H1   PHE   1           HT1      PHE   1  51.500   3.340  -8.793
    2    H2   PHE   1           HT2      PHE   1  50.053   3.295  -7.905
    3    H3   PHE   1           HT3      PHE   1  50.203   2.396  -9.339
    4    HA   PHE   1           HA       PHE   1  50.608   1.494  -6.828
    5    HB2  PHE   1           HB2      PHE   1  51.649   0.446  -9.491
    6    HB3  PHE   1           HB1      PHE   1  51.511  -0.511  -7.995
    7    HD1  PHE   1           HD1      PHE   1  49.306  -1.101  -7.067
    8    HD2  PHE   1           HD2      PHE   1  49.661   1.148 -10.734
    9    HE1  PHE   1           HE1      PHE   1  46.907  -1.547  -7.572
   10    HE2  PHE   1           HE2      PHE   1  47.262   0.701 -11.239
   11    HZ   PHE   1           HZ       PHE   1  45.863  -0.564  -9.611
   12    H    LEU   2           HN       LEU   2  53.194   1.960  -9.291
   13    HA   LEU   2           HA       LEU   2  55.487   2.192  -9.014
   14    HB2  LEU   2           HB2      LEU   2  54.884   3.561  -6.372
   15    HB3  LEU   2           HB1      LEU   2  56.185   3.908  -7.536
   16    HG   LEU   2           HG       LEU   2  53.199   4.380  -7.952
   17   HD11  LEU   2          HD11      LEU   2  55.575   6.282  -7.723
   18   HD12  LEU   2          HD12      LEU   2  54.323   6.026  -6.484
   19   HD13  LEU   2          HD13      LEU   2  53.892   6.760  -8.047
   20   HD21  LEU   2          HD21      LEU   2  55.601   4.634  -9.811
   21   HD22  LEU   2          HD22      LEU   2  54.085   5.527 -10.091
   22   HD23  LEU   2          HD23      LEU   2  54.082   3.749 -10.090
   23    H    GLY   3           HN       GLY   3  56.811   2.482  -6.349
   24    HA2  GLY   3           HA1      GLY   3  56.328  -0.058  -4.968
   25    HA3  GLY   3           HA2      GLY   3  57.805  -0.049  -5.952
   26    H    ALA   4           HN       ALA   4  56.410   2.731  -4.255
   27    HA   ALA   4           HA       ALA   4  58.182   2.504  -1.961
   28    HB1  ALA   4           HB1      ALA   4  59.737   4.236  -2.441
   29    HB2  ALA   4           HB2      ALA   4  58.854   4.731  -3.906
   30    HB3  ALA   4           HB3      ALA   4  59.734   3.184  -3.875
   31    H    LEU   5           HN       LEU   5  55.762   3.969  -3.888
   32    HA   LEU   5           HA       LEU   5  54.127   5.528  -3.429
   33    HB2  LEU   5           HB2      LEU   5  53.488   3.955  -1.705
   34    HB3  LEU   5           HB1      LEU   5  54.748   4.562  -0.611
   35    HG   LEU   5           HG       LEU   5  53.604   6.685  -0.344
   36   HD11  LEU   5          HD11      LEU   5  51.874   5.671  -2.630
   37   HD12  LEU   5          HD12      LEU   5  52.765   7.207  -2.509
   38   HD13  LEU   5          HD13      LEU   5  51.304   6.950  -1.530
   39   HD21  LEU   5          HD21      LEU   5  51.536   5.946   0.705
   40   HD22  LEU   5          HD22      LEU   5  52.766   4.681   0.941
   41   HD23  LEU   5          HD23      LEU   5  51.504   4.475  -0.297
   42    H    ILE   6           HN       ILE   6  55.158   7.366  -4.172
   43    HA   ILE   6           HA       ILE   6  56.164   9.213  -1.975
   44    HB   ILE   6           HB       ILE   6  57.248   9.476  -4.827
   45   HG12  ILE   6          HG12      ILE   6  57.617   7.051  -4.145
   46   HG13  ILE   6          HG11      ILE   6  59.095   7.980  -4.451
   47   HG21  ILE   6          HG21      ILE   6  59.250  10.317  -3.532
   48   HG22  ILE   6          HG22      ILE   6  58.324  10.092  -2.032
   49   HG23  ILE   6          HG23      ILE   6  57.769  11.256  -3.251
   50   HD11  ILE   6           HD1      ILE   6  57.979   7.773  -1.636
   51   HD12  ILE   6           HD2      ILE   6  59.640   8.127  -2.157
   52   HD13  ILE   6           HD3      ILE   6  58.992   6.478  -2.309
   53    H    LYS   7           HN       LYS   7  56.510  11.162  -4.430
   54    HA   LYS   7           HA       LYS   7  55.168  13.011  -4.920
   55    HB2  LYS   7           HB2      LYS   7  52.920  10.940  -5.146
   56    HB3  LYS   7           HB1      LYS   7  52.887  12.594  -5.804
   57    HG2  LYS   7           HG2      LYS   7  54.643  12.095  -7.381
   58    HG3  LYS   7           HG1      LYS   7  54.974  10.527  -6.605
   59    HD2  LYS   7           HD2      LYS   7  52.839   9.639  -7.309
   60    HD3  LYS   7           HD1      LYS   7  52.293  11.239  -7.865
   61    HE2  LYS   7           HE2      LYS   7  53.011   9.877  -9.787
   62    HE3  LYS   7           HE1      LYS   7  54.121  11.250  -9.562
   63    HZ1  LYS   7           HZ1      LYS   7  55.566   9.496  -9.789
   64    HZ2  LYS   7           HZ2      LYS   7  54.552   8.389  -8.994
   65    HZ3  LYS   7           HZ3      LYS   7  55.408   9.554  -8.101
   66    H    GLY   8           HN       GLY   8  55.732  11.738  -2.599
   67    HA2  GLY   8           HA1      GLY   8  55.272  11.321  -0.462
   68    HA3  GLY   8           HA2      GLY   8  54.961  13.100  -0.437
   69    H    ALA   9           HN       ALA   9  53.546   9.886  -0.786
   70    HA   ALA   9           HA       ALA   9  51.424   9.083  -0.388
   71    HB1  ALA   9           HB1      ALA   9  51.926   9.908   1.881
   72    HB2  ALA   9           HB2      ALA   9  50.196  10.075   1.495
   73    HB3  ALA   9           HB3      ALA   9  51.260  11.501   1.448
   74    H    ILE  10           HN       ILE  10  51.540  10.320  -2.742
   75    HA   ILE  10           HA       ILE  10  50.442  11.718  -4.271
   76    HB   ILE  10           HB       ILE  10  47.908  11.117  -4.333
   77   HG12  ILE  10          HG12      ILE  10  48.833   9.166  -2.169
   78   HG13  ILE  10          HG11      ILE  10  47.785  10.570  -1.871
   79   HG21  ILE  10          HG21      ILE  10  49.769   9.953  -5.617
   80   HG22  ILE  10          HG22      ILE  10  48.377   8.919  -5.239
   81   HG23  ILE  10          HG23      ILE  10  49.870   8.783  -4.280
   82   HD11  ILE  10           HD1      ILE  10  46.240   8.808  -2.129
   83   HD12  ILE  10           HD2      ILE  10  47.179   8.041  -3.428
   84   HD13  ILE  10           HD3      ILE  10  46.265   9.535  -3.752
   85    H    HIS  11           HN       HIS  11  50.993  13.744  -3.306
   86    HA   HIS  11           HA       HIS  11  50.492  15.820  -2.388
   87    HB2  HIS  11           HB2      HIS  11  47.715  15.114  -3.417
   88    HB3  HIS  11           HB1      HIS  11  48.316  16.748  -3.048
   89    HD1  HIS  11           HD1      HIS  11  49.165  17.982  -5.032
   90    HD2  HIS  11           HD2      HIS  11  49.672  13.827  -5.439
   91    HE1  HIS  11           HE1      HIS  11  50.188  17.563  -7.335
   92    H    GLY  12           HN       GLY  12  49.849  13.192  -0.841
   93    HA2  GLY  12           HA1      GLY  12  49.286  12.825   1.387
   94    HA3  GLY  12           HA2      GLY  12  48.912  14.553   1.554
   95    H    GLY  13           HN       GLY  13  47.600  11.973  -0.561
   96    HA2  GLY  13           HA1      GLY  13  45.432  11.201  -0.803
   97    HA3  GLY  13           HA2      GLY  13  45.127  11.722   0.868
   98    H    ARG  14           HN       ARG  14  46.340  14.318  -0.825
   99    HA   ARG  14           HA       ARG  14  43.634  15.522  -1.016
  100    HB2  ARG  14           HB2      ARG  14  46.059  16.491  -0.155
  101    HB3  ARG  14           HB1      ARG  14  46.061  17.103  -1.819
  102    HG2  ARG  14           HG2      ARG  14  43.843  17.532   0.242
  103    HG3  ARG  14           HG1      ARG  14  45.058  18.739  -0.239
  104    HD2  ARG  14           HD2      ARG  14  42.820  17.553  -1.922
  105    HD3  ARG  14           HD1      ARG  14  43.104  19.257  -1.512
  106    HE   ARG  14           HE       ARG  14  45.382  18.345  -2.939
  107   HH11  ARG  14          HH11      ARG  14  42.091  19.271  -3.271
  108   HH12  ARG  14          HH12      ARG  14  42.169  19.444  -4.992
  109   HH21  ARG  14          HH21      ARG  14  45.463  18.382  -5.215
  110   HH22  ARG  14          HH22      ARG  14  44.078  18.940  -6.093
  111    H    PHE  15           HN       PHE  15  46.007  14.018  -3.042
  112    HA   PHE  15           HA       PHE  15  45.838  15.274  -5.497
  113    HB2  PHE  15           HB2      PHE  15  47.094  13.199  -5.115
  114    HB3  PHE  15           HB1      PHE  15  45.574  12.284  -4.990
  115    HD1  PHE  15           HD1      PHE  15  44.793  11.218  -6.951
  116    HD2  PHE  15           HD2      PHE  15  47.268  14.739  -7.312
  117    HE1  PHE  15           HE1      PHE  15  44.760  10.988  -9.430
  118    HE2  PHE  15           HE2      PHE  15  47.232  14.507  -9.792
  119    HZ   PHE  15           HZ       PHE  15  46.039  12.591 -10.846
  120    H    ILE  16           HN       ILE  16  43.288  13.498  -3.838
  121    HA   ILE  16           HA       ILE  16  41.404  14.160  -6.107
  122    HB   ILE  16           HB       ILE  16  41.014  11.939  -4.050
  123   HG12  ILE  16          HG12      ILE  16  42.206  11.822  -6.857
  124   HG13  ILE  16          HG11      ILE  16  43.042  11.436  -5.334
  125   HG21  ILE  16          HG21      ILE  16  39.047  12.967  -5.337
  126   HG22  ILE  16          HG22      ILE  16  39.264  11.213  -5.530
  127   HG23  ILE  16          HG23      ILE  16  39.798  12.323  -6.815
  128   HD11  ILE  16           HD1      ILE  16  41.138   9.677  -4.983
  129   HD12  ILE  16           HD2      ILE  16  42.408   9.312  -6.174
  130   HD13  ILE  16           HD3      ILE  16  40.821   9.899  -6.721
  131    H    HIS  17           HN       HIS  17  40.797  13.083  -2.727
  132    HA   HIS  17           HA       HIS  17  40.192  15.709  -1.732
  133    HB2  HIS  17           HB2      HIS  17  38.273  15.525  -3.314
  134    HB3  HIS  17           HB1      HIS  17  37.773  14.021  -2.505
  135    HD1  HIS  17           HD1      HIS  17  39.066  15.870   0.192
  136    HD2  HIS  17           HD2      HIS  17  35.594  16.329  -2.135
  137    HE1  HIS  17           HE1      HIS  17  37.400  17.226   1.572
  138    H    GLY  18           HN       GLY  18  41.739  14.232  -0.459
  139    HA2  GLY  18           HA1      GLY  18  42.087  13.052   1.508
  140    HA3  GLY  18           HA2      GLY  18  40.411  13.403   1.930
  141    H    MET  19           HN       MET  19  42.061  11.554  -0.589
  142    HA   MET  19           HA       MET  19  41.440   9.503  -1.367
  143    HB2  MET  19           HB2      MET  19  41.610   8.962   1.543
  144    HB3  MET  19           HB1      MET  19  41.542   7.667   0.324
  145    HG2  MET  19           HG2      MET  19  43.638   9.872   0.220
  146    HG3  MET  19           HG1      MET  19  43.888   8.366   1.135
  147    HE1  MET  19           HE1      MET  19  45.098   6.286  -0.090
  148    HE2  MET  19           HE2      MET  19  44.005   5.568  -1.297
  149    HE3  MET  19           HE3      MET  19  43.359   6.138   0.261
  150    H    ILE  20           HN       ILE  20  39.147  11.269  -0.513
  151    HA   ILE  20           HA       ILE  20  36.837  10.981  -0.417
  152    HB   ILE  20           HB       ILE  20  37.234   8.138  -1.469
  153   HG12  ILE  20          HG12      ILE  20  38.456   9.423  -3.055
  154   HG13  ILE  20          HG11      ILE  20  36.845   9.264  -3.776
  155   HG21  ILE  20          HG21      ILE  20  34.989   8.509  -0.775
  156   HG22  ILE  20          HG22      ILE  20  34.970   8.699  -2.541
  157   HG23  ILE  20          HG23      ILE  20  34.936  10.133  -1.491
  158   HD11  ILE  20           HD1      ILE  20  36.307  11.548  -2.695
  159   HD12  ILE  20           HD2      ILE  20  37.453  11.561  -4.049
  160   HD13  ILE  20           HD3      ILE  20  38.051  11.681  -2.379
  161    H    GLN  21           HN       GLN  21  39.222   9.177   1.079
  162    HA   GLN  21           HA       GLN  21  37.296   7.878   3.042
  163    HB2  GLN  21           HB2      GLN  21  39.031   6.463   1.804
  164    HB3  GLN  21           HB1      GLN  21  40.275   7.359   2.706
  165    HG2  GLN  21           HG2      GLN  21  39.833   5.371   3.979
  166    HG3  GLN  21           HG1      GLN  21  39.020   6.698   4.843
  167   HE21  GLN  21          HE21      GLN  21  38.406   4.054   2.445
  168   HE22  GLN  21          HE22      GLN  21  36.705   3.864   2.881
  169    H    ASN  22           HN       ASN  22  40.286   9.884   2.729
  170    HA   ASN  22           HA       ASN  22  40.272  10.449   5.621
  171    HB2  ASN  22           HB2      ASN  22  41.889  11.424   3.228
  172    HB3  ASN  22           HB1      ASN  22  42.059  12.153   4.844
  173   HD21  ASN  22          HD21      ASN  22  41.772   9.825   6.481
  174   HD22  ASN  22          HD22      ASN  22  43.141   8.756   6.157
  175    H    HIS  23           HN       HIS  23  39.179  11.723   2.520
  176    HA   HIS  23           HA       HIS  23  38.030  13.716   2.030
  177    HB2  HIS  23           HB2      HIS  23  35.973  14.007   3.320
  178    HB3  HIS  23           HB1      HIS  23  36.283  12.277   3.046
  179    HD1  HIS  23           HD1      HIS  23  36.720  10.786   5.068
  180    HD2  HIS  23           HD2      HIS  23  36.452  14.869   6.036
  181    HE1  HIS  23           HE1      HIS  23  36.681  10.964   7.616
  182    H    HIS  24           HN       HIS  24  40.431  13.943   3.923
  183    HA   HIS  24           HA       HIS  24  39.783  16.177   5.684
  184    HB2  HIS  24           HB2      HIS  24  42.414  15.024   4.682
  185    HB3  HIS  24           HB1      HIS  24  42.299  16.352   5.861
  186    HD1  HIS  24           HD1      HIS  24  39.478  14.729   6.897
  187    HD2  HIS  24           HD2      HIS  24  43.525  13.605   7.074
  188    HE1  HIS  24           HE1      HIS  24  39.694  12.941   8.709
  Start of MODEL   60
    1    H1   PHE   1           HT1      PHE   1  57.933   4.310   5.297
    2    H2   PHE   1           HT2      PHE   1  58.989   3.684   6.471
    3    H3   PHE   1           HT3      PHE   1  59.487   4.964   5.471
    4    HA   PHE   1           HA       PHE   1  57.154   5.222   7.226
    5    HB2  PHE   1           HB2      PHE   1  59.169   4.461   8.548
    6    HB3  PHE   1           HB1      PHE   1  60.021   5.916   7.976
    7    HD1  PHE   1           HD1      PHE   1  56.944   4.761   9.794
    8    HD2  PHE   1           HD2      PHE   1  59.672   8.023   9.047
    9    HE1  PHE   1           HE1      PHE   1  55.848   6.091  11.594
   10    HE2  PHE   1           HE2      PHE   1  58.575   9.353  10.845
   11    HZ   PHE   1           HZ       PHE   1  56.716   8.355  12.171
   12    H    LEU   2           HN       LEU   2  56.721   6.343   5.025
   13    HA   LEU   2           HA       LEU   2  57.116   9.181   5.481
   14    HB2  LEU   2           HB2      LEU   2  59.328   8.238   4.381
   15    HB3  LEU   2           HB1      LEU   2  58.369   8.229   2.886
   16    HG   LEU   2           HG       LEU   2  58.836  10.643   4.701
   17   HD11  LEU   2          HD11      LEU   2  60.183  11.482   2.805
   18   HD12  LEU   2          HD12      LEU   2  59.869   9.977   1.907
   19   HD13  LEU   2          HD13      LEU   2  60.833   9.937   3.404
   20   HD21  LEU   2          HD21      LEU   2  57.818  11.821   2.603
   21   HD22  LEU   2          HD22      LEU   2  56.704  10.983   3.705
   22   HD23  LEU   2          HD23      LEU   2  57.189  10.210   2.176
   23    H    GLY   3           HN       GLY   3  56.813   7.165   2.519
   24    HA2  GLY   3           HA1      GLY   3  53.944   7.559   2.367
   25    HA3  GLY   3           HA2      GLY   3  54.815   8.653   1.273
   26    H    ALA   4           HN       ALA   4  56.533   5.788   1.854
   27    HA   ALA   4           HA       ALA   4  57.066   4.028   0.445
   28    HB1  ALA   4           HB1      ALA   4  54.073   4.154  -0.057
   29    HB2  ALA   4           HB2      ALA   4  54.913   3.179   1.173
   30    HB3  ALA   4           HB3      ALA   4  55.131   2.813  -0.555
   31    H    LEU   5           HN       LEU   5  54.377   5.034  -1.631
   32    HA   LEU   5           HA       LEU   5  56.167   5.152  -3.934
   33    HB2  LEU   5           HB2      LEU   5  53.294   6.131  -3.809
   34    HB3  LEU   5           HB1      LEU   5  54.192   5.529  -5.222
   35    HG   LEU   5           HG       LEU   5  53.392   3.890  -2.773
   36   HD11  LEU   5          HD11      LEU   5  51.514   4.466  -4.294
   37   HD12  LEU   5          HD12      LEU   5  51.899   2.729  -4.367
   38   HD13  LEU   5          HD13      LEU   5  52.436   3.816  -5.671
   39   HD21  LEU   5          HD21      LEU   5  55.028   3.259  -5.264
   40   HD22  LEU   5          HD22      LEU   5  54.183   1.981  -4.356
   41   HD23  LEU   5          HD23      LEU   5  55.441   2.952  -3.560
   42    H    ILE   6           HN       ILE   6  55.948   7.218  -1.459
   43    HA   ILE   6           HA       ILE   6  56.223   9.539  -1.179
   44    HB   ILE   6           HB       ILE   6  57.625   9.630  -3.896
   45   HG12  ILE   6          HG12      ILE   6  58.619   8.142  -1.421
   46   HG13  ILE   6          HG11      ILE   6  58.270   7.434  -3.015
   47   HG21  ILE   6          HG21      ILE   6  59.068  11.167  -2.795
   48   HG22  ILE   6          HG22      ILE   6  58.612  10.582  -1.177
   49   HG23  ILE   6          HG23      ILE   6  57.463  11.547  -2.130
   50   HD11  ILE   6           HD1      ILE   6  60.021   9.088  -3.952
   51   HD12  ILE   6           HD2      ILE   6  60.637   7.732  -2.977
   52   HD13  ILE   6           HD3      ILE   6  60.501   9.355  -2.259
   53    H    LYS   7           HN       LYS   7  56.648  11.289  -3.725
   54    HA   LYS   7           HA       LYS   7  55.178  12.883  -4.594
   55    HB2  LYS   7           HB2      LYS   7  53.297  10.480  -4.900
   56    HB3  LYS   7           HB1      LYS   7  53.043  12.079  -5.640
   57    HG2  LYS   7           HG2      LYS   7  54.969  11.846  -7.051
   58    HG3  LYS   7           HG1      LYS   7  55.555  10.433  -6.140
   59    HD2  LYS   7           HD2      LYS   7  54.502   9.747  -8.281
   60    HD3  LYS   7           HD1      LYS   7  53.594   9.122  -6.884
   61    HE2  LYS   7           HE2      LYS   7  51.851  10.713  -7.156
   62    HE3  LYS   7           HE1      LYS   7  52.845  11.762  -8.196
   63    HZ1  LYS   7           HZ1      LYS   7  51.062   9.965  -9.097
   64    HZ2  LYS   7           HZ2      LYS   7  52.497   9.057  -9.170
   65    HZ3  LYS   7           HZ3      LYS   7  52.382  10.538  -9.995
   66    H    GLY   8           HN       GLY   8  55.570  11.903  -2.103
   67    HA2  GLY   8           HA1      GLY   8  54.883  11.625  -0.005
   68    HA3  GLY   8           HA2      GLY   8  54.364  13.344  -0.207
   69    H    ALA   9           HN       ALA   9  53.397   9.962  -0.408
   70    HA   ALA   9           HA       ALA   9  51.385   8.907  -0.079
   71    HB1  ALA   9           HB1      ALA   9  49.838   9.828   1.473
   72    HB2  ALA   9           HB2      ALA   9  50.331  11.497   1.099
   73    HB3  ALA   9           HB3      ALA   9  51.434  10.420   1.989
   74    H    ILE  10           HN       ILE  10  51.451   9.143  -2.498
   75    HA   ILE  10           HA       ILE  10  50.292   9.432  -4.461
   76    HB   ILE  10           HB       ILE  10  48.111   9.798  -2.411
   77   HG12  ILE  10          HG12      ILE  10  48.122   8.230  -5.022
   78   HG13  ILE  10          HG11      ILE  10  48.898   7.622  -3.546
   79   HG21  ILE  10          HG21      ILE  10  46.448  10.266  -4.326
   80   HG22  ILE  10          HG22      ILE  10  47.854  10.821  -5.259
   81   HG23  ILE  10          HG23      ILE  10  47.408  11.639  -3.741
   82   HD11  ILE  10           HD1      ILE  10  46.778   6.652  -3.343
   83   HD12  ILE  10           HD2      ILE  10  45.955   8.005  -4.142
   84   HD13  ILE  10           HD3      ILE  10  46.500   8.166  -2.457
   85    H    HIS  11           HN       HIS  11  49.072  12.179  -2.468
   86    HA   HIS  11           HA       HIS  11  50.681  14.064  -4.081
   87    HB2  HIS  11           HB2      HIS  11  48.637  13.733  -5.464
   88    HB3  HIS  11           HB1      HIS  11  47.633  14.184  -4.065
   89    HD1  HIS  11           HD1      HIS  11  50.902  15.812  -5.247
   90    HD2  HIS  11           HD2      HIS  11  46.819  16.736  -4.836
   91    HE1  HIS  11           HE1      HIS  11  50.633  18.305  -5.734
   92    H    GLY  12           HN       GLY  12  49.471  12.936  -1.283
   93    HA2  GLY  12           HA1      GLY  12  50.335  14.339   0.676
   94    HA3  GLY  12           HA2      GLY  12  49.339  15.656   0.024
   95    H    GLY  13           HN       GLY  13  47.939  12.599  -0.486
   96    HA2  GLY  13           HA1      GLY  13  46.200  11.481   0.561
   97    HA3  GLY  13           HA2      GLY  13  46.695  12.232   2.091
   98    H    ARG  14           HN       ARG  14  45.106  13.051  -1.022
   99    HA   ARG  14           HA       ARG  14  42.799  14.136   0.366
  100    HB2  ARG  14           HB2      ARG  14  44.485  15.978   0.703
  101    HB3  ARG  14           HB1      ARG  14  44.597  16.133  -1.064
  102    HG2  ARG  14           HG2      ARG  14  43.027  17.805  -0.242
  103    HG3  ARG  14           HG1      ARG  14  42.115  16.575  -1.139
  104    HD2  ARG  14           HD2      ARG  14  41.128  15.701   0.805
  105    HD3  ARG  14           HD1      ARG  14  42.455  16.253   1.858
  106    HE   ARG  14           HE       ARG  14  40.101  17.798   1.113
  107   HH11  ARG  14          HH11      ARG  14  40.012  19.915   1.895
  108   HH12  ARG  14          HH12      ARG  14  41.443  20.648   2.541
  109   HH21  ARG  14          HH21      ARG  14  43.440  17.871   1.969
  110   HH22  ARG  14          HH22      ARG  14  43.384  19.489   2.583
  111    H    PHE  15           HN       PHE  15  44.730  13.572  -2.501
  112    HA   PHE  15           HA       PHE  15  42.832  14.402  -4.471
  113    HB2  PHE  15           HB2      PHE  15  45.288  13.731  -4.800
  114    HB3  PHE  15           HB1      PHE  15  44.732  12.042  -4.749
  115    HD1  PHE  15           HD1      PHE  15  44.108  11.029  -6.798
  116    HD2  PHE  15           HD2      PHE  15  43.863  15.323  -6.405
  117    HE1  PHE  15           HE1      PHE  15  43.433  11.211  -9.188
  118    HE2  PHE  15           HE2      PHE  15  43.187  15.501  -8.796
  119    HZ   PHE  15           HZ       PHE  15  43.025  13.450 -10.201
  120    H    ILE  16           HN       ILE  16  43.354  11.272  -2.821
  121    HA   ILE  16           HA       ILE  16  40.518  10.590  -3.233
  122    HB   ILE  16           HB       ILE  16  41.142   8.308  -4.224
  123   HG12  ILE  16          HG12      ILE  16  43.737   9.825  -4.790
  124   HG13  ILE  16          HG11      ILE  16  43.568   8.396  -3.748
  125   HG21  ILE  16          HG21      ILE  16  41.042   9.111  -6.485
  126   HG22  ILE  16          HG22      ILE  16  41.814  10.653  -6.049
  127   HG23  ILE  16          HG23      ILE  16  40.155  10.301  -5.510
  128   HD11  ILE  16           HD1      ILE  16  44.330   7.489  -5.796
  129   HD12  ILE  16           HD2      ILE  16  43.319   8.583  -6.767
  130   HD13  ILE  16           HD3      ILE  16  42.572   7.235  -5.875
  131    H    HIS  17           HN       HIS  17  41.338  11.107  -0.870
  132    HA   HIS  17           HA       HIS  17  41.446   8.472   0.470
  133    HB2  HIS  17           HB2      HIS  17  43.862   9.120   0.083
  134    HB3  HIS  17           HB1      HIS  17  43.572  10.567   1.077
  135    HD1  HIS  17           HD1      HIS  17  44.720  10.075   3.256
  136    HD2  HIS  17           HD2      HIS  17  42.479   6.800   1.867
  137    HE1  HIS  17           HE1      HIS  17  44.741   8.303   5.096
  138    H    GLY  18           HN       GLY  18  40.964  11.894   0.329
  139    HA2  GLY  18           HA1      GLY  18  39.279  11.748   2.796
  140    HA3  GLY  18           HA2      GLY  18  40.519  13.020   2.672
  141    H    MET  19           HN       MET  19  38.294  11.495   0.401
  142    HA   MET  19           HA       MET  19  36.474  13.693   0.245
  143    HB2  MET  19           HB2      MET  19  36.956  14.507  -1.886
  144    HB3  MET  19           HB1      MET  19  38.294  14.761  -0.774
  145    HG2  MET  19           HG2      MET  19  39.412  14.017  -2.733
  146    HG3  MET  19           HG1      MET  19  39.251  12.525  -1.777
  147    HE1  MET  19           HE1      MET  19  36.808  13.947  -5.376
  148    HE2  MET  19           HE2      MET  19  38.585  14.031  -5.350
  149    HE3  MET  19           HE3      MET  19  37.635  14.909  -4.128
  150    H    ILE  20           HN       ILE  20  38.068  10.922  -1.272
  151    HA   ILE  20           HA       ILE  20  35.625  10.107  -2.685
  152    HB   ILE  20           HB       ILE  20  36.745   7.714  -2.365
  153   HG12  ILE  20          HG12      ILE  20  39.237   7.864  -2.116
  154   HG13  ILE  20          HG11      ILE  20  39.076   9.572  -1.676
  155   HG21  ILE  20          HG21      ILE  20  36.679   8.971  -4.496
  156   HG22  ILE  20          HG22      ILE  20  38.233   8.128  -4.292
  157   HG23  ILE  20          HG23      ILE  20  38.127   9.881  -4.006
  158   HD11  ILE  20           HD1      ILE  20  37.443   7.565  -0.110
  159   HD12  ILE  20           HD2      ILE  20  38.191   9.088   0.429
  160   HD13  ILE  20           HD3      ILE  20  39.193   7.641   0.199
  161    H    GLN  21           HN       GLN  21  36.725  10.674   0.353
  162    HA   GLN  21           HA       GLN  21  34.583   9.111   1.705
  163    HB2  GLN  21           HB2      GLN  21  36.894   8.302   2.259
  164    HB3  GLN  21           HB1      GLN  21  37.284   9.937   2.844
  165    HG2  GLN  21           HG2      GLN  21  35.513   9.808   4.526
  166    HG3  GLN  21           HG1      GLN  21  34.984   8.231   3.891
  167   HE21  GLN  21          HE21      GLN  21  38.388   9.351   4.328
  168   HE22  GLN  21          HE22      GLN  21  38.794   8.114   5.522
  169    H    ASN  22           HN       ASN  22  36.335  12.366   1.205
  170    HA   ASN  22           HA       ASN  22  34.349  13.427   3.291
  171    HB2  ASN  22           HB2      ASN  22  36.643  15.032   2.139
  172    HB3  ASN  22           HB1      ASN  22  35.800  15.217   3.690
  173   HD21  ASN  22          HD21      ASN  22  35.922  12.092   3.934
  174   HD22  ASN  22          HD22      ASN  22  37.566  11.820   4.522
  175    H    HIS  23           HN       HIS  23  34.070  12.666   0.297
  176    HA   HIS  23           HA       HIS  23  33.019  13.551  -1.575
  177    HB2  HIS  23           HB2      HIS  23  31.153  13.653   0.006
  178    HB3  HIS  23           HB1      HIS  23  31.692  15.247   0.580
  179    HD1  HIS  23           HD1      HIS  23  30.994  17.288  -0.752
  180    HD2  HIS  23           HD2      HIS  23  30.266  13.684  -2.797
  181    HE1  HIS  23           HE1      HIS  23  29.641  17.859  -2.844
  182    H    HIS  24           HN       HIS  24  32.706  16.651   0.088
  183    HA   HIS  24           HA       HIS  24  33.975  18.020  -2.136
  184    HB2  HIS  24           HB2      HIS  24  33.648  20.047  -0.737
  185    HB3  HIS  24           HB1      HIS  24  32.166  19.066  -0.850
  186    HD1  HIS  24           HD1      HIS  24  31.122  18.302   1.302
  187    HD2  HIS  24           HD2      HIS  24  35.084  19.618   1.814
  188    HE1  HIS  24           HE1      HIS  24  31.617  18.272   3.809
  Start of MODEL   61
    1    H1   PHE   1           HT1      PHE   1  61.143   5.905 -11.914
    2    H2   PHE   1           HT2      PHE   1  62.200   7.227 -11.766
    3    H3   PHE   1           HT3      PHE   1  60.716   7.223 -10.938
    4    HA   PHE   1           HA       PHE   1  62.278   4.934 -10.339
    5    HB2  PHE   1           HB2      PHE   1  63.409   7.695  -9.732
    6    HB3  PHE   1           HB1      PHE   1  63.966   6.177  -8.986
    7    HD1  PHE   1           HD1      PHE   1  64.904   4.339 -10.460
    8    HD2  PHE   1           HD2      PHE   1  64.125   8.319 -11.939
    9    HE1  PHE   1           HE1      PHE   1  66.379   3.900 -12.420
   10    HE2  PHE   1           HE2      PHE   1  65.600   7.879 -13.898
   11    HZ   PHE   1           HZ       PHE   1  66.746   5.679 -14.126
   12    H    LEU   2           HN       LEU   2  59.892   4.896  -9.674
   13    HA   LEU   2           HA       LEU   2  59.120   6.573  -7.419
   14    HB2  LEU   2           HB2      LEU   2  57.987   4.070  -8.714
   15    HB3  LEU   2           HB1      LEU   2  57.276   4.748  -7.230
   16    HG   LEU   2           HG       LEU   2  56.843   6.875  -8.338
   17   HD11  LEU   2          HD11      LEU   2  57.311   6.970 -10.892
   18   HD12  LEU   2          HD12      LEU   2  58.429   5.615 -10.611
   19   HD13  LEU   2          HD13      LEU   2  58.699   7.177  -9.802
   20   HD21  LEU   2          HD21      LEU   2  55.187   5.047  -8.634
   21   HD22  LEU   2          HD22      LEU   2  56.030   4.526 -10.112
   22   HD23  LEU   2          HD23      LEU   2  55.229   6.114 -10.057
   23    H    GLY   3           HN       GLY   3  59.814   3.049  -7.705
   24    HA2  GLY   3           HA1      GLY   3  60.910   1.651  -6.207
   25    HA3  GLY   3           HA2      GLY   3  61.395   3.075  -5.267
   26    H    ALA   4           HN       ALA   4  58.718   4.100  -4.867
   27    HA   ALA   4           HA       ALA   4  57.092   2.049  -3.624
   28    HB1  ALA   4           HB1      ALA   4  57.431   2.789  -1.273
   29    HB2  ALA   4           HB2      ALA   4  58.797   3.796  -1.813
   30    HB3  ALA   4           HB3      ALA   4  58.879   2.024  -1.969
   31    H    LEU   5           HN       LEU   5  55.564   3.282  -1.906
   32    HA   LEU   5           HA       LEU   5  54.268   5.355  -3.518
   33    HB2  LEU   5           HB2      LEU   5  53.683   4.006  -0.863
   34    HB3  LEU   5           HB1      LEU   5  52.726   5.403  -1.408
   35    HG   LEU   5           HG       LEU   5  52.075   4.230  -3.447
   36   HD11  LEU   5          HD11      LEU   5  52.767   1.747  -3.638
   37   HD12  LEU   5          HD12      LEU   5  54.032   2.124  -2.444
   38   HD13  LEU   5          HD13      LEU   5  54.015   2.956  -4.019
   39   HD21  LEU   5          HD21      LEU   5  50.847   3.797  -1.270
   40   HD22  LEU   5          HD22      LEU   5  51.815   2.313  -1.088
   41   HD23  LEU   5          HD23      LEU   5  50.700   2.486  -2.465
   42    H    ILE   6           HN       ILE   6  55.121   7.334  -3.597
   43    HA   ILE   6           HA       ILE   6  55.550   8.767  -0.983
   44    HB   ILE   6           HB       ILE   6  57.634   9.182  -3.182
   45   HG12  ILE   6          HG12      ILE   6  57.686   6.928  -1.121
   46   HG13  ILE   6          HG11      ILE   6  57.645   6.744  -2.890
   47   HG21  ILE   6          HG21      ILE   6  57.311  10.564  -0.985
   48   HG22  ILE   6          HG22      ILE   6  58.954  10.020  -1.395
   49   HG23  ILE   6          HG23      ILE   6  58.010   9.151  -0.161
   50   HD11  ILE   6           HD1      ILE   6  59.824   8.124  -2.930
   51   HD12  ILE   6           HD2      ILE   6  59.939   6.469  -2.286
   52   HD13  ILE   6           HD3      ILE   6  59.892   7.856  -1.171
   53    H    LYS   7           HN       LYS   7  56.906  10.940  -2.693
   54    HA   LYS   7           HA       LYS   7  55.987  12.976  -3.383
   55    HB2  LYS   7           HB2      LYS   7  54.263  11.013  -4.957
   56    HB3  LYS   7           HB1      LYS   7  53.916  12.758  -4.999
   57    HG2  LYS   7           HG2      LYS   7  56.277  13.171  -5.732
   58    HG3  LYS   7           HG1      LYS   7  56.535  11.410  -5.791
   59    HD2  LYS   7           HD2      LYS   7  54.706  11.195  -7.448
   60    HD3  LYS   7           HD1      LYS   7  54.448  12.956  -7.393
   61    HE2  LYS   7           HE2      LYS   7  56.979  11.514  -8.297
   62    HE3  LYS   7           HE1      LYS   7  55.844  12.418  -9.327
   63    HZ1  LYS   7           HZ1      LYS   7  56.352  14.387  -7.876
   64    HZ2  LYS   7           HZ2      LYS   7  57.635  13.858  -8.855
   65    HZ3  LYS   7           HZ3      LYS   7  57.619  13.486  -7.197
   66    H    GLY   8           HN       GLY   8  55.486  11.338  -1.288
   67    HA2  GLY   8           HA1      GLY   8  54.180  10.704   0.395
   68    HA3  GLY   8           HA2      GLY   8  53.956  12.487   0.581
   69    H    ALA   9           HN       ALA   9  52.631   9.468  -0.528
   70    HA   ALA   9           HA       ALA   9  50.563   8.861  -1.364
   71    HB1  ALA   9           HB1      ALA   9  48.759   9.371   0.179
   72    HB2  ALA   9           HB2      ALA   9  49.680  10.737   0.854
   73    HB3  ALA   9           HB3      ALA   9  50.253   9.071   1.098
   74    H    ILE  10           HN       ILE  10  51.645  10.866  -2.936
   75    HA   ILE  10           HA       ILE  10  51.135  12.739  -4.240
   76    HB   ILE  10           HB       ILE  10  48.731  12.300  -5.400
   77   HG12  ILE  10          HG12      ILE  10  49.411   9.618  -4.090
   78   HG13  ILE  10          HG11      ILE  10  48.036  10.649  -3.649
   79   HG21  ILE  10          HG21      ILE  10  51.023  11.976  -6.426
   80   HG22  ILE  10          HG22      ILE  10  49.818  10.791  -6.970
   81   HG23  ILE  10          HG23      ILE  10  51.034  10.327  -5.756
   82   HD11  ILE  10           HD1      ILE  10  47.035   9.135  -5.141
   83   HD12  ILE  10           HD2      ILE  10  48.476   9.045  -6.177
   84   HD13  ILE  10           HD3      ILE  10  47.434  10.488  -6.225
   85    H    HIS  11           HN       HIS  11  47.700  12.306  -3.620
   86    HA   HIS  11           HA       HIS  11  47.168  14.992  -3.127
   87    HB2  HIS  11           HB2      HIS  11  45.691  12.772  -1.684
   88    HB3  HIS  11           HB1      HIS  11  45.055  14.318  -2.302
   89    HD1  HIS  11           HD1      HIS  11  46.731  13.987  -5.098
   90    HD2  HIS  11           HD2      HIS  11  44.049  11.220  -3.418
   91    HE1  HIS  11           HE1      HIS  11  45.832  12.544  -7.005
   92    H    GLY  12           HN       GLY  12  49.016  12.873  -1.148
   93    HA2  GLY  12           HA1      GLY  12  48.308  13.926   1.434
   94    HA3  GLY  12           HA2      GLY  12  49.856  13.171   1.003
   95    H    GLY  13           HN       GLY  13  49.426  15.496  -1.237
   96    HA2  GLY  13           HA1      GLY  13  50.367  17.795   0.391
   97    HA3  GLY  13           HA2      GLY  13  51.484  17.143  -0.828
   98    H    ARG  14           HN       ARG  14  49.844  16.503  -2.930
   99    HA   ARG  14           HA       ARG  14  49.495  18.972  -4.250
  100    HB2  ARG  14           HB2      ARG  14  47.801  16.520  -4.813
  101    HB3  ARG  14           HB1      ARG  14  48.350  17.761  -5.956
  102    HG2  ARG  14           HG2      ARG  14  50.071  15.694  -4.524
  103    HG3  ARG  14           HG1      ARG  14  49.742  15.799  -6.265
  104    HD2  ARG  14           HD2      ARG  14  51.408  17.683  -4.552
  105    HD3  ARG  14           HD1      ARG  14  51.914  16.747  -5.979
  106    HE   ARG  14           HE       ARG  14  49.782  18.693  -6.528
  107   HH11  ARG  14          HH11      ARG  14  53.005  18.899  -5.564
  108   HH12  ARG  14          HH12      ARG  14  53.531  19.824  -6.931
  109   HH21  ARG  14          HH21      ARG  14  50.517  19.537  -8.621
  110   HH22  ARG  14          HH22      ARG  14  52.123  20.184  -8.661
  111    H    PHE  15           HN       PHE  15  47.089  17.025  -2.462
  112    HA   PHE  15           HA       PHE  15  44.740  18.389  -2.938
  113    HB2  PHE  15           HB2      PHE  15  45.073  16.483  -1.325
  114    HB3  PHE  15           HB1      PHE  15  45.696  17.661  -0.143
  115    HD1  PHE  15           HD1      PHE  15  44.210  19.179   1.018
  116    HD2  PHE  15           HD2      PHE  15  42.712  16.644  -2.138
  117    HE1  PHE  15           HE1      PHE  15  41.874  19.753   1.665
  118    HE2  PHE  15           HE2      PHE  15  40.376  17.218  -1.491
  119    HZ   PHE  15           HZ       PHE  15  39.957  18.719   0.455
  120    H    ILE  16           HN       ILE  16  47.595  19.640  -1.441
  121    HA   ILE  16           HA       ILE  16  46.511  22.334  -1.484
  122    HB   ILE  16           HB       ILE  16  45.565  21.460   0.668
  123   HG12  ILE  16          HG12      ILE  16  47.671  23.643   1.024
  124   HG13  ILE  16          HG11      ILE  16  46.079  23.876   0.269
  125   HG21  ILE  16          HG21      ILE  16  47.857  20.086   1.058
  126   HG22  ILE  16          HG22      ILE  16  46.859  20.639   2.421
  127   HG23  ILE  16          HG23      ILE  16  48.302  21.560   1.952
  128   HD11  ILE  16           HD1      ILE  16  45.989  24.534   2.635
  129   HD12  ILE  16           HD2      ILE  16  46.598  22.933   3.121
  130   HD13  ILE  16           HD3      ILE  16  44.992  23.084   2.369
  131    H    HIS  17           HN       HIS  17  48.404  21.585  -2.993
  132    HA   HIS  17           HA       HIS  17  50.779  22.978  -1.939
  133    HB2  HIS  17           HB2      HIS  17  51.253  20.654  -1.218
  134    HB3  HIS  17           HB1      HIS  17  51.025  20.092  -2.889
  135    HD1  HIS  17           HD1      HIS  17  52.989  23.017  -1.328
  136    HD2  HIS  17           HD2      HIS  17  53.492  19.882  -4.086
  137    HE1  HIS  17           HE1      HIS  17  55.385  23.152  -2.209
  138    H    GLY  18           HN       GLY  18  49.565  20.822  -4.576
  139    HA2  GLY  18           HA1      GLY  18  51.006  22.248  -6.645
  140    HA3  GLY  18           HA2      GLY  18  49.573  21.207  -6.880
  141    H    MET  19           HN       MET  19  47.571  22.105  -5.870
  142    HA   MET  19           HA       MET  19  47.008  24.649  -5.252
  143    HB2  MET  19           HB2      MET  19  47.740  24.797  -8.020
  144    HB3  MET  19           HB1      MET  19  45.982  24.980  -7.970
  145    HG2  MET  19           HG2      MET  19  47.076  27.173  -7.810
  146    HG3  MET  19           HG1      MET  19  46.201  26.801  -6.309
  147    HE1  MET  19           HE1      MET  19  49.432  26.452  -8.222
  148    HE2  MET  19           HE2      MET  19  50.711  26.950  -7.090
  149    HE3  MET  19           HE3      MET  19  49.538  28.146  -7.687
  150    H    ILE  20           HN       ILE  20  45.757  23.297  -3.980
  151    HA   ILE  20           HA       ILE  20  43.705  22.335  -3.442
  152    HB   ILE  20           HB       ILE  20  42.538  22.978  -6.181
  153   HG12  ILE  20          HG12      ILE  20  43.457  25.122  -5.785
  154   HG13  ILE  20          HG11      ILE  20  41.827  25.255  -5.108
  155   HG21  ILE  20          HG21      ILE  20  40.485  23.371  -4.796
  156   HG22  ILE  20          HG22      ILE  20  41.412  22.931  -3.344
  157   HG23  ILE  20          HG23      ILE  20  41.143  21.732  -4.625
  158   HD11  ILE  20           HD1      ILE  20  43.051  24.496  -2.852
  159   HD12  ILE  20           HD2      ILE  20  43.091  26.187  -3.381
  160   HD13  ILE  20           HD3      ILE  20  44.486  25.134  -3.680
  161    H    GLN  21           HN       GLN  21  45.923  21.529  -5.383
  162    HA   GLN  21           HA       GLN  21  46.523  19.224  -5.831
  163    HB2  GLN  21           HB2      GLN  21  45.028  17.501  -6.397
  164    HB3  GLN  21           HB1      GLN  21  44.093  18.423  -5.211
  165    HG2  GLN  21           HG2      GLN  21  43.283  19.713  -7.497
  166    HG3  GLN  21           HG1      GLN  21  43.687  18.132  -8.192
  167   HE21  GLN  21          HE21      GLN  21  42.664  16.169  -7.013
  168   HE22  GLN  21          HE22      GLN  21  41.034  16.401  -6.375
  169    H    ASN  22           HN       ASN  22  46.272  21.861  -6.954
  170    HA   ASN  22           HA       ASN  22  46.571  22.973  -8.931
  171    HB2  ASN  22           HB2      ASN  22  48.590  21.714  -8.981
  172    HB3  ASN  22           HB1      ASN  22  47.755  20.286  -9.663
  173   HD21  ASN  22          HD21      ASN  22  48.152  23.833 -10.421
  174   HD22  ASN  22          HD22      ASN  22  48.315  23.578 -12.161
  175    H    HIS  23           HN       HIS  23  44.049  22.172  -8.431
  176    HA   HIS  23           HA       HIS  23  42.764  20.623 -10.432
  177    HB2  HIS  23           HB2      HIS  23  41.644  21.460  -8.401
  178    HB3  HIS  23           HB1      HIS  23  41.743  23.123  -9.024
  179    HD1  HIS  23           HD1      HIS  23  39.864  19.891  -9.378
  180    HD2  HIS  23           HD2      HIS  23  40.062  23.602 -11.344
  181    HE1  HIS  23           HE1      HIS  23  37.811  20.062 -10.890
  182    H    HIS  24           HN       HIS  24  42.918  20.811 -12.564
  183    HA   HIS  24           HA       HIS  24  43.854  23.052 -13.981
  184    HB2  HIS  24           HB2      HIS  24  43.576  20.753 -14.915
  185    HB3  HIS  24           HB1      HIS  24  41.815  21.015 -14.959
  186    HD1  HIS  24           HD1      HIS  24  41.279  21.318 -17.394
  187    HD2  HIS  24           HD2      HIS  24  44.591  23.609 -16.180
  188    HE1  HIS  24           HE1      HIS  24  41.964  22.777 -19.377
  Start of MODEL   62
    1    H1   PHE   1           HT1      PHE   1  54.470   0.680 -11.667
    2    H2   PHE   1           HT2      PHE   1  53.377   1.855 -12.228
    3    H3   PHE   1           HT3      PHE   1  54.053   1.988 -10.674
    4    HA   PHE   1           HA       PHE   1  56.120   1.774 -12.532
    5    HB2  PHE   1           HB2      PHE   1  54.046   3.930 -13.104
    6    HB3  PHE   1           HB1      PHE   1  55.689   3.880 -13.787
    7    HD1  PHE   1           HD1      PHE   1  56.358   2.054 -15.342
    8    HD2  PHE   1           HD2      PHE   1  52.312   2.417 -13.884
    9    HE1  PHE   1           HE1      PHE   1  55.576   0.506 -17.129
   10    HE2  PHE   1           HE2      PHE   1  51.530   0.869 -15.672
   11    HZ   PHE   1           HZ       PHE   1  53.175  -0.153 -17.241
   12    H    LEU   2           HN       LEU   2  54.324   3.035  -9.937
   13    HA   LEU   2           HA       LEU   2  56.013   5.350  -9.376
   14    HB2  LEU   2           HB2      LEU   2  53.933   3.780  -7.815
   15    HB3  LEU   2           HB1      LEU   2  54.877   5.078  -7.048
   16    HG   LEU   2           HG       LEU   2  54.072   6.702  -8.682
   17   HD11  LEU   2          HD11      LEU   2  52.836   4.245  -9.988
   18   HD12  LEU   2          HD12      LEU   2  53.907   5.469 -10.715
   19   HD13  LEU   2          HD13      LEU   2  52.227   5.887 -10.311
   20   HD21  LEU   2          HD21      LEU   2  52.649   6.211  -6.701
   21   HD22  LEU   2          HD22      LEU   2  51.786   4.967  -7.638
   22   HD23  LEU   2          HD23      LEU   2  51.666   6.679  -8.109
   23    H    GLY   3           HN       GLY   3  57.907   5.448  -8.348
   24    HA2  GLY   3           HA1      GLY   3  59.495   3.181  -7.882
   25    HA3  GLY   3           HA2      GLY   3  59.761   4.771  -7.142
   26    H    ALA   4           HN       ALA   4  57.565   5.067  -5.522
   27    HA   ALA   4           HA       ALA   4  57.025   2.716  -3.933
   28    HB1  ALA   4           HB1      ALA   4  59.372   2.951  -3.292
   29    HB2  ALA   4           HB2      ALA   4  58.314   3.359  -1.920
   30    HB3  ALA   4           HB3      ALA   4  59.102   4.653  -2.854
   31    H    LEU   5           HN       LEU   5  56.601   3.811  -1.449
   32    HA   LEU   5           HA       LEU   5  54.209   5.369  -1.952
   33    HB2  LEU   5           HB2      LEU   5  54.567   3.710  -0.059
   34    HB3  LEU   5           HB1      LEU   5  55.636   4.911   0.693
   35    HG   LEU   5           HG       LEU   5  53.606   6.560   0.456
   36   HD11  LEU   5          HD11      LEU   5  52.251   3.852   0.076
   37   HD12  LEU   5          HD12      LEU   5  52.119   5.292  -0.961
   38   HD13  LEU   5          HD13      LEU   5  51.392   5.295   0.658
   39   HD21  LEU   5          HD21      LEU   5  52.672   5.769   2.611
   40   HD22  LEU   5          HD22      LEU   5  54.450   5.670   2.608
   41   HD23  LEU   5          HD23      LEU   5  53.476   4.198   2.384
   42    H    ILE   6           HN       ILE   6  54.979   7.230  -3.071
   43    HA   ILE   6           HA       ILE   6  55.823   9.386  -1.173
   44    HB   ILE   6           HB       ILE   6  57.656  10.166  -2.661
   45   HG12  ILE   6          HG12      ILE   6  57.059   7.609  -4.226
   46   HG13  ILE   6          HG11      ILE   6  56.837   9.275  -4.807
   47   HG21  ILE   6          HG21      ILE   6  58.049   8.477  -0.779
   48   HG22  ILE   6          HG22      ILE   6  59.311   8.548  -2.029
   49   HG23  ILE   6          HG23      ILE   6  58.121   7.223  -2.040
   50   HD11  ILE   6           HD1      ILE   6  58.921   8.636  -5.737
   51   HD12  ILE   6           HD2      ILE   6  59.425   7.787  -4.258
   52   HD13  ILE   6           HD3      ILE   6  59.385   9.567  -4.293
   53    H    LYS   7           HN       LYS   7  56.500  11.134  -3.535
   54    HA   LYS   7           HA       LYS   7  55.199  12.796  -4.521
   55    HB2  LYS   7           HB2      LYS   7  53.447  10.378  -5.201
   56    HB3  LYS   7           HB1      LYS   7  53.050  12.032  -5.724
   57    HG2  LYS   7           HG2      LYS   7  55.342  12.152  -6.799
   58    HG3  LYS   7           HG1      LYS   7  55.535  10.420  -6.435
   59    HD2  LYS   7           HD2      LYS   7  53.555   9.878  -7.772
   60    HD3  LYS   7           HD1      LYS   7  53.247  11.607  -8.064
   61    HE2  LYS   7           HE2      LYS   7  55.349  11.825  -9.291
   62    HE3  LYS   7           HE1      LYS   7  55.788  10.145  -8.902
   63    HZ1  LYS   7           HZ1      LYS   7  53.335   9.885 -10.006
   64    HZ2  LYS   7           HZ2      LYS   7  54.802   9.674 -10.835
   65    HZ3  LYS   7           HZ3      LYS   7  53.985  11.160 -10.914
   66    H    GLY   8           HN       GLY   8  55.283  11.719  -2.041
   67    HA2  GLY   8           HA1      GLY   8  54.385  11.427  -0.036
   68    HA3  GLY   8           HA2      GLY   8  53.886  13.148  -0.257
   69    H    ALA   9           HN       ALA   9  52.951   9.769  -0.560
   70    HA   ALA   9           HA       ALA   9  50.899   8.726  -0.602
   71    HB1  ALA   9           HB1      ALA   9  49.209   9.583   0.892
   72    HB2  ALA   9           HB2      ALA   9  49.920  11.215   0.836
   73    HB3  ALA   9           HB3      ALA   9  50.800   9.886   1.630
   74    H    ILE  10           HN       ILE  10  51.159   9.290  -2.975
   75    HA   ILE  10           HA       ILE  10  50.120   9.830  -4.957
   76    HB   ILE  10           HB       ILE  10  47.801   9.983  -3.029
   77   HG12  ILE  10          HG12      ILE  10  46.786   8.468  -4.725
   78   HG13  ILE  10          HG11      ILE  10  48.219   8.688  -5.757
   79   HG21  ILE  10          HG21      ILE  10  47.758  11.376  -5.727
   80   HG22  ILE  10          HG22      ILE  10  47.232  12.004  -4.144
   81   HG23  ILE  10          HG23      ILE  10  46.280  10.746  -4.959
   82   HD11  ILE  10           HD1      ILE  10  48.302   6.596  -4.356
   83   HD12  ILE  10           HD2      ILE  10  48.300   7.622  -2.901
   84   HD13  ILE  10           HD3      ILE  10  49.660   7.704  -4.045
   85    H    HIS  11           HN       HIS  11  48.838  12.320  -2.693
   86    HA   HIS  11           HA       HIS  11  50.546  14.362  -3.992
   87    HB2  HIS  11           HB2      HIS  11  48.430  14.194  -5.387
   88    HB3  HIS  11           HB1      HIS  11  47.515  14.674  -3.939
   89    HD1  HIS  11           HD1      HIS  11  50.738  16.321  -3.821
   90    HD2  HIS  11           HD2      HIS  11  47.147  17.025  -5.891
   91    HE1  HIS  11           HE1      HIS  11  50.747  18.769  -4.551
   92    H    GLY  12           HN       GLY  12  49.143  12.899  -1.407
   93    HA2  GLY  12           HA1      GLY  12  49.992  13.882   0.775
   94    HA3  GLY  12           HA2      GLY  12  49.223  15.403   0.284
   95    H    GLY  13           HN       GLY  13  47.877  12.169  -0.268
   96    HA2  GLY  13           HA1      GLY  13  45.813  11.324   0.371
   97    HA3  GLY  13           HA2      GLY  13  46.307  11.822   2.002
   98    H    ARG  14           HN       ARG  14  44.870  13.041  -1.021
   99    HA   ARG  14           HA       ARG  14  42.670  14.264   0.411
  100    HB2  ARG  14           HB2      ARG  14  44.288  15.984   0.978
  101    HB3  ARG  14           HB1      ARG  14  44.879  16.053  -0.696
  102    HG2  ARG  14           HG2      ARG  14  43.328  17.946  -0.081
  103    HG3  ARG  14           HG1      ARG  14  42.766  16.991  -1.470
  104    HD2  ARG  14           HD2      ARG  14  41.085  15.908  -0.193
  105    HD3  ARG  14           HD1      ARG  14  41.850  16.339   1.355
  106    HE   ARG  14           HE       ARG  14  39.991  17.990  -0.124
  107   HH11  ARG  14          HH11      ARG  14  40.690  18.027   2.866
  108   HH12  ARG  14          HH12      ARG  14  41.366  19.613   3.019
  109   HH21  ARG  14          HH21      ARG  14  41.794  20.050  -0.395
  110   HH22  ARG  14          HH22      ARG  14  41.992  20.760   1.173
  111    H    PHE  15           HN       PHE  15  44.670  14.739  -2.537
  112    HA   PHE  15           HA       PHE  15  42.357  15.096  -4.244
  113    HB2  PHE  15           HB2      PHE  15  45.256  14.372  -4.830
  114    HB3  PHE  15           HB1      PHE  15  44.040  14.691  -6.090
  115    HD1  PHE  15           HD1      PHE  15  43.341  16.937  -6.609
  116    HD2  PHE  15           HD2      PHE  15  45.839  16.181  -3.170
  117    HE1  PHE  15           HE1      PHE  15  43.722  19.386  -6.347
  118    HE2  PHE  15           HE2      PHE  15  46.219  18.629  -2.908
  119    HZ   PHE  15           HZ       PHE  15  45.188  20.229  -4.517
  120    H    ILE  16           HN       ILE  16  40.902  13.561  -4.632
  121    HA   ILE  16           HA       ILE  16  39.991  11.408  -4.662
  122    HB   ILE  16           HB       ILE  16  40.877  10.005  -6.540
  123   HG12  ILE  16          HG12      ILE  16  42.907  12.264  -6.897
  124   HG13  ILE  16          HG11      ILE  16  43.306  10.679  -6.200
  125   HG21  ILE  16          HG21      ILE  16  40.207  11.539  -8.276
  126   HG22  ILE  16          HG22      ILE  16  40.683  12.950  -7.301
  127   HG23  ILE  16          HG23      ILE  16  39.277  11.969  -6.824
  128   HD11  ILE  16           HD1      ILE  16  42.292   9.680  -8.379
  129   HD12  ILE  16           HD2      ILE  16  43.882  10.469  -8.490
  130   HD13  ILE  16           HD3      ILE  16  42.425  11.332  -9.029
  131    H    HIS  17           HN       HIS  17  41.450  11.539  -2.420
  132    HA   HIS  17           HA       HIS  17  42.509   8.759  -2.207
  133    HB2  HIS  17           HB2      HIS  17  44.481  10.262  -2.544
  134    HB3  HIS  17           HB1      HIS  17  43.973  11.195  -1.114
  135    HD1  HIS  17           HD1      HIS  17  45.828   8.169  -2.152
  136    HD2  HIS  17           HD2      HIS  17  43.855   9.465   1.325
  137    HE1  HIS  17           HE1      HIS  17  46.674   6.733  -0.215
  138    H    GLY  18           HN       GLY  18  41.072  11.682  -0.885
  139    HA2  GLY  18           HA1      GLY  18  40.940  11.132   1.859
  140    HA3  GLY  18           HA2      GLY  18  39.619  11.886   0.916
  141    H    MET  19           HN       MET  19  38.891  10.092  -0.758
  142    HA   MET  19           HA       MET  19  38.419   7.490   0.140
  143    HB2  MET  19           HB2      MET  19  37.103   8.834   1.935
  144    HB3  MET  19           HB1      MET  19  35.979   9.174   0.608
  145    HG2  MET  19           HG2      MET  19  35.431   6.853   0.350
  146    HG3  MET  19           HG1      MET  19  36.809   6.335   1.349
  147    HE1  MET  19           HE1      MET  19  33.974   5.329   1.574
  148    HE2  MET  19           HE2      MET  19  33.499   5.419   3.286
  149    HE3  MET  19           HE3      MET  19  35.104   4.793   2.841
  150    H    ILE  20           HN       ILE  20  38.807   9.602  -2.007
  151    HA   ILE  20           HA       ILE  20  38.152   9.805  -4.218
  152    HB   ILE  20           HB       ILE  20  36.438   7.284  -3.949
  153   HG12  ILE  20          HG12      ILE  20  38.550   6.576  -3.047
  154   HG13  ILE  20          HG11      ILE  20  38.522   6.022  -4.731
  155   HG21  ILE  20          HG21      ILE  20  37.268   7.056  -6.390
  156   HG22  ILE  20          HG22      ILE  20  37.802   8.744  -6.242
  157   HG23  ILE  20          HG23      ILE  20  36.088   8.335  -6.039
  158   HD11  ILE  20           HD1      ILE  20  40.001   8.439  -3.598
  159   HD12  ILE  20           HD2      ILE  20  39.832   8.125  -5.340
  160   HD13  ILE  20           HD3      ILE  20  40.705   6.972  -4.311
  161    H    GLN  21           HN       GLN  21  36.416   9.645  -1.401
  162    HA   GLN  21           HA       GLN  21  34.089  11.160  -2.640
  163    HB2  GLN  21           HB2      GLN  21  33.396   8.818  -2.185
  164    HB3  GLN  21           HB1      GLN  21  33.877   9.021  -0.484
  165    HG2  GLN  21           HG2      GLN  21  32.188  10.667  -0.088
  166    HG3  GLN  21           HG1      GLN  21  31.882  10.888  -1.827
  167   HE21  GLN  21          HE21      GLN  21  31.093   8.964   1.010
  168   HE22  GLN  21          HE22      GLN  21  29.966   7.878   0.191
  169    H    ASN  22           HN       ASN  22  36.601  10.939  -0.241
  170    HA   ASN  22           HA       ASN  22  35.209  13.056   1.411
  171    HB2  ASN  22           HB2      ASN  22  36.006  10.900   2.546
  172    HB3  ASN  22           HB1      ASN  22  37.662  11.430   2.182
  173   HD21  ASN  22          HD21      ASN  22  34.732  13.298   3.248
  174   HD22  ASN  22          HD22      ASN  22  35.526  13.984   4.670
  175    H    HIS  23           HN       HIS  23  37.633  12.324  -0.874
  176    HA   HIS  23           HA       HIS  23  39.788  13.950  -0.428
  177    HB2  HIS  23           HB2      HIS  23  39.600  14.527  -2.975
  178    HB3  HIS  23           HB1      HIS  23  39.721  12.816  -2.500
  179    HD1  HIS  23           HD1      HIS  23  38.469  12.449  -4.902
  180    HD2  HIS  23           HD2      HIS  23  36.203  14.292  -1.879
  181    HE1  HIS  23           HE1      HIS  23  36.009  12.241  -5.560
  182    H    HIS  24           HN       HIS  24  37.723  15.499  -2.790
  183    HA   HIS  24           HA       HIS  24  38.244  18.107  -1.632
  184    HB2  HIS  24           HB2      HIS  24  37.960  17.750  -4.063
  185    HB3  HIS  24           HB1      HIS  24  36.266  17.274  -3.793
  186    HD1  HIS  24           HD1      HIS  24  38.580  20.263  -3.053
  187    HD2  HIS  24           HD2      HIS  24  34.522  19.424  -3.775
  188    HE1  HIS  24           HE1      HIS  24  37.354  22.500  -3.199
  Start of MODEL   63
    1    H1   PHE   1           HT1      PHE   1  58.058   1.527  -8.144
    2    H2   PHE   1           HT2      PHE   1  57.882   0.904  -9.716
    3    H3   PHE   1           HT3      PHE   1  57.942  -0.147  -8.381
    4    HA   PHE   1           HA       PHE   1  55.743   1.187  -9.536
    5    HB2  PHE   1           HB2      PHE   1  55.925  -0.801  -7.239
    6    HB3  PHE   1           HB1      PHE   1  54.504  -0.469  -8.260
    7    HD1  PHE   1           HD1      PHE   1  54.432  -1.202 -10.613
    8    HD2  PHE   1           HD2      PHE   1  57.826  -2.081  -8.095
    9    HE1  PHE   1           HE1      PHE   1  55.230  -2.880 -12.273
   10    HE2  PHE   1           HE2      PHE   1  58.623  -3.760  -9.756
   11    HZ   PHE   1           HZ       PHE   1  57.293  -4.201 -11.816
   12    H    LEU   2           HN       LEU   2  56.596   3.375  -8.600
   13    HA   LEU   2           HA       LEU   2  56.191   3.902  -5.798
   14    HB2  LEU   2           HB2      LEU   2  55.883   5.921  -8.047
   15    HB3  LEU   2           HB1      LEU   2  56.419   6.208  -6.375
   16    HG   LEU   2           HG       LEU   2  57.913   4.631  -8.519
   17   HD11  LEU   2          HD11      LEU   2  58.672   7.189  -7.044
   18   HD12  LEU   2          HD12      LEU   2  57.914   7.163  -8.654
   19   HD13  LEU   2          HD13      LEU   2  59.523   6.441  -8.416
   20   HD21  LEU   2          HD21      LEU   2  58.410   5.042  -5.540
   21   HD22  LEU   2          HD22      LEU   2  59.742   4.683  -6.666
   22   HD23  LEU   2          HD23      LEU   2  58.411   3.521  -6.464
   23    H    GLY   3           HN       GLY   3  54.504   6.378  -6.543
   24    HA2  GLY   3           HA1      GLY   3  52.246   6.944  -6.659
   25    HA3  GLY   3           HA2      GLY   3  51.863   5.274  -7.126
   26    H    ALA   4           HN       ALA   4  53.791   5.845  -4.282
   27    HA   ALA   4           HA       ALA   4  51.624   6.057  -2.392
   28    HB1  ALA   4           HB1      ALA   4  52.747   3.288  -2.920
   29    HB2  ALA   4           HB2      ALA   4  51.049   3.811  -3.023
   30    HB3  ALA   4           HB3      ALA   4  51.862   3.730  -1.441
   31    H    LEU   5           HN       LEU   5  54.893   4.785  -3.054
   32    HA   LEU   5           HA       LEU   5  55.801   5.228  -0.314
   33    HB2  LEU   5           HB2      LEU   5  57.588   4.963  -2.753
   34    HB3  LEU   5           HB1      LEU   5  57.912   4.467  -1.075
   35    HG   LEU   5           HG       LEU   5  55.895   3.219  -2.994
   36   HD11  LEU   5          HD11      LEU   5  58.345   2.668  -3.296
   37   HD12  LEU   5          HD12      LEU   5  57.337   1.265  -2.866
   38   HD13  LEU   5          HD13      LEU   5  58.356   2.043  -1.629
   39   HD21  LEU   5          HD21      LEU   5  56.440   2.778  -0.028
   40   HD22  LEU   5          HD22      LEU   5  55.673   1.536  -1.046
   41   HD23  LEU   5          HD23      LEU   5  54.884   3.114  -0.821
   42    H    ILE   6           HN       ILE   6  55.203   7.261  -2.984
   43    HA   ILE   6           HA       ILE   6  56.216   9.588  -1.539
   44    HB   ILE   6           HB       ILE   6  58.324   8.446  -2.659
   45   HG12  ILE   6          HG12      ILE   6  59.030  10.915  -3.507
   46   HG13  ILE   6          HG11      ILE   6  57.501  11.365  -2.723
   47   HG21  ILE   6          HG21      ILE   6  58.614   8.463  -4.947
   48   HG22  ILE   6          HG22      ILE   6  57.683   9.953  -5.185
   49   HG23  ILE   6          HG23      ILE   6  56.839   8.406  -4.953
   50   HD11  ILE   6           HD1      ILE   6  58.373  10.004  -0.683
   51   HD12  ILE   6           HD2      ILE   6  59.123  11.585  -1.008
   52   HD13  ILE   6           HD3      ILE   6  59.959  10.088  -1.485
   53    H    LYS   7           HN       LYS   7  56.654  11.020  -4.224
   54    HA   LYS   7           HA       LYS   7  55.202  12.474  -5.319
   55    HB2  LYS   7           HB2      LYS   7  53.487   9.940  -5.445
   56    HB3  LYS   7           HB1      LYS   7  52.984  11.484  -6.171
   57    HG2  LYS   7           HG2      LYS   7  54.851  11.491  -7.683
   58    HG3  LYS   7           HG1      LYS   7  55.641  10.149  -6.820
   59    HD2  LYS   7           HD2      LYS   7  54.545   9.369  -8.911
   60    HD3  LYS   7           HD1      LYS   7  53.811   8.627  -7.470
   61    HE2  LYS   7           HE2      LYS   7  51.870   9.983  -7.613
   62    HE3  LYS   7           HE1      LYS   7  52.668  11.177  -8.668
   63    HZ1  LYS   7           HZ1      LYS   7  51.231   8.847  -9.384
   64    HZ2  LYS   7           HZ2      LYS   7  52.826   8.721  -9.957
   65    HZ3  LYS   7           HZ3      LYS   7  51.868  10.057 -10.387
   66    H    GLY   8           HN       GLY   8  55.557  11.796  -2.724
   67    HA2  GLY   8           HA1      GLY   8  54.839  11.776  -0.621
   68    HA3  GLY   8           HA2      GLY   8  54.300  13.448  -1.044
   69    H    ALA   9           HN       ALA   9  53.387  10.050  -0.811
   70    HA   ALA   9           HA       ALA   9  51.355   9.016  -0.512
   71    HB1  ALA   9           HB1      ALA   9  49.681  10.293   0.889
   72    HB2  ALA   9           HB2      ALA   9  50.788  11.686   0.813
   73    HB3  ALA   9           HB3      ALA   9  51.312  10.172   1.589
   74    H    ILE  10           HN       ILE  10  51.612   9.745  -3.045
   75    HA   ILE  10           HA       ILE  10  50.379  10.018  -4.958
   76    HB   ILE  10           HB       ILE  10  48.312   9.441  -2.966
   77   HG12  ILE  10          HG12      ILE  10  48.224   9.167  -6.004
   78   HG13  ILE  10          HG11      ILE  10  49.069   8.036  -4.925
   79   HG21  ILE  10          HG21      ILE  10  46.347  10.453  -4.062
   80   HG22  ILE  10          HG22      ILE  10  47.413  11.354  -5.164
   81   HG23  ILE  10          HG23      ILE  10  47.426  11.706  -3.417
   82   HD11  ILE  10           HD1      ILE  10  46.689   7.931  -3.696
   83   HD12  ILE  10           HD2      ILE  10  47.002   6.956  -5.149
   84   HD13  ILE  10           HD3      ILE  10  46.096   8.480  -5.283
   85    H    HIS  11           HN       HIS  11  49.860  12.363  -2.364
   86    HA   HIS  11           HA       HIS  11  50.611  14.559  -4.061
   87    HB2  HIS  11           HB2      HIS  11  48.342  14.226  -5.000
   88    HB3  HIS  11           HB1      HIS  11  47.647  14.356  -3.367
   89    HD1  HIS  11           HD1      HIS  11  50.214  16.463  -5.333
   90    HD2  HIS  11           HD2      HIS  11  46.733  16.926  -3.017
   91    HE1  HIS  11           HE1      HIS  11  49.694  18.963  -5.230
   92    H    GLY  12           HN       GLY  12  49.464  13.095  -1.182
   93    HA2  GLY  12           HA1      GLY  12  50.862  14.302   0.735
   94    HA3  GLY  12           HA2      GLY  12  49.678  15.590   0.426
   95    H    GLY  13           HN       GLY  13  48.828  12.224  -0.012
   96    HA2  GLY  13           HA1      GLY  13  47.214  10.951   1.051
   97    HA3  GLY  13           HA2      GLY  13  47.936  11.543   2.563
   98    H    ARG  14           HN       ARG  14  45.799  12.676  -0.097
   99    HA   ARG  14           HA       ARG  14  43.726  13.401   1.838
  100    HB2  ARG  14           HB2      ARG  14  45.681  15.291   1.639
  101    HB3  ARG  14           HB1      ARG  14  44.660  15.811   0.285
  102    HG2  ARG  14           HG2      ARG  14  43.750  15.396   3.175
  103    HG3  ARG  14           HG1      ARG  14  44.005  16.963   2.371
  104    HD2  ARG  14           HD2      ARG  14  41.863  14.884   1.826
  105    HD3  ARG  14           HD1      ARG  14  41.663  16.604   2.225
  106    HE   ARG  14           HE       ARG  14  42.152  15.517  -0.438
  107   HH11  ARG  14          HH11      ARG  14  44.020  17.067  -1.301
  108   HH12  ARG  14          HH12      ARG  14  43.517  18.724  -1.260
  109   HH21  ARG  14          HH21      ARG  14  40.874  18.144   0.910
  110   HH22  ARG  14          HH22      ARG  14  41.736  19.334  -0.007
  111    H    PHE  15           HN       PHE  15  45.065  13.425  -1.439
  112    HA   PHE  15           HA       PHE  15  42.973  14.315  -3.007
  113    HB2  PHE  15           HB2      PHE  15  45.177  13.270  -3.760
  114    HB3  PHE  15           HB1      PHE  15  44.390  11.686  -3.568
  115    HD1  PHE  15           HD1      PHE  15  44.491  14.817  -5.528
  116    HD2  PHE  15           HD2      PHE  15  42.514  11.016  -5.021
  117    HE1  PHE  15           HE1      PHE  15  43.421  15.076  -7.764
  118    HE2  PHE  15           HE2      PHE  15  41.444  11.272  -7.257
  119    HZ   PHE  15           HZ       PHE  15  41.844  13.335  -8.597
  120    H    ILE  16           HN       ILE  16  42.927  11.609  -0.849
  121    HA   ILE  16           HA       ILE  16  40.182  10.852  -1.853
  122    HB   ILE  16           HB       ILE  16  42.137   8.967  -0.463
  123   HG12  ILE  16          HG12      ILE  16  41.552   9.356  -3.434
  124   HG13  ILE  16          HG11      ILE  16  43.103   9.646  -2.616
  125   HG21  ILE  16          HG21      ILE  16  39.699   8.348  -2.179
  126   HG22  ILE  16          HG22      ILE  16  39.591   8.575  -0.418
  127   HG23  ILE  16          HG23      ILE  16  40.578   7.255  -1.085
  128   HD11  ILE  16           HD1      ILE  16  41.706   7.002  -3.143
  129   HD12  ILE  16           HD2      ILE  16  42.964   7.150  -1.891
  130   HD13  ILE  16           HD3      ILE  16  43.354   7.495  -3.591
  131    H    HIS  17           HN       HIS  17  42.093   9.925   1.047
  132    HA   HIS  17           HA       HIS  17  40.674  11.718   2.814
  133    HB2  HIS  17           HB2      HIS  17  38.777  10.208   2.263
  134    HB3  HIS  17           HB1      HIS  17  39.728   8.825   2.851
  135    HD1  HIS  17           HD1      HIS  17  40.507  11.767   4.848
  136    HD2  HIS  17           HD2      HIS  17  37.401   8.932   4.826
  137    HE1  HIS  17           HE1      HIS  17  39.373  11.862   7.135
  138    H    GLY  18           HN       GLY  18  43.316  11.179   2.454
  139    HA2  GLY  18           HA1      GLY  18  44.872  11.138   4.398
  140    HA3  GLY  18           HA2      GLY  18  44.063   9.649   4.938
  141    H    MET  19           HN       MET  19  43.674   8.501   2.464
  142    HA   MET  19           HA       MET  19  45.287   8.127   0.530
  143    HB2  MET  19           HB2      MET  19  47.432   8.356   1.458
  144    HB3  MET  19           HB1      MET  19  47.041   7.341   2.846
  145    HG2  MET  19           HG2      MET  19  47.090   5.336   1.492
  146    HG3  MET  19           HG1      MET  19  47.145   6.293  -0.007
  147    HE1  MET  19           HE1      MET  19  48.916   5.925   3.474
  148    HE2  MET  19           HE2      MET  19  50.499   5.309   2.940
  149    HE3  MET  19           HE3      MET  19  49.017   4.390   2.578
  150    H    ILE  20           HN       ILE  20  43.501   7.188  -0.148
  151    HA   ILE  20           HA       ILE  20  42.063   5.410  -0.557
  152    HB   ILE  20           HB       ILE  20  44.065   3.512   0.757
  153   HG12  ILE  20          HG12      ILE  20  44.174   4.677  -2.067
  154   HG13  ILE  20          HG11      ILE  20  45.347   4.982  -0.768
  155   HG21  ILE  20          HG21      ILE  20  43.119   1.874  -0.694
  156   HG22  ILE  20          HG22      ILE  20  42.384   3.104  -1.753
  157   HG23  ILE  20          HG23      ILE  20  41.719   2.810  -0.133
  158   HD11  ILE  20           HD1      ILE  20  45.661   2.409  -0.689
  159   HD12  ILE  20           HD2      ILE  20  46.350   3.275  -2.081
  160   HD13  ILE  20           HD3      ILE  20  44.817   2.392  -2.256
  161    H    GLN  21           HN       GLN  21  42.503   6.976   1.891
  162    HA   GLN  21           HA       GLN  21  41.149   7.220   3.815
  163    HB2  GLN  21           HB2      GLN  21  39.699   5.199   2.864
  164    HB3  GLN  21           HB1      GLN  21  40.643   4.222   4.012
  165    HG2  GLN  21           HG2      GLN  21  39.938   5.684   5.869
  166    HG3  GLN  21           HG1      GLN  21  39.028   6.709   4.734
  167   HE21  GLN  21          HE21      GLN  21  39.091   3.537   6.364
  168   HE22  GLN  21          HE22      GLN  21  37.439   3.093   5.922
  169    H    ASN  22           HN       ASN  22  43.843   6.742   3.236
  170    HA   ASN  22           HA       ASN  22  45.838   6.072   4.140
  171    HB2  ASN  22           HB2      ASN  22  46.025   6.613   6.626
  172    HB3  ASN  22           HB1      ASN  22  45.519   7.927   5.524
  173   HD21  ASN  22          HD21      ASN  22  44.522   5.871   8.221
  174   HD22  ASN  22          HD22      ASN  22  42.924   6.598   8.425
  175    H    HIS  23           HN       HIS  23  44.862   4.008   3.343
  176    HA   HIS  23           HA       HIS  23  44.421   2.007   5.504
  177    HB2  HIS  23           HB2      HIS  23  43.179   1.891   3.354
  178    HB3  HIS  23           HB1      HIS  23  44.719   1.642   2.496
  179    HD1  HIS  23           HD1      HIS  23  42.087  -0.120   4.426
  180    HD2  HIS  23           HD2      HIS  23  46.095  -0.838   3.374
  181    HE1  HIS  23           HE1      HIS  23  42.530  -2.613   4.769
  182    H    HIS  24           HN       HIS  24  45.975   0.914   6.495
  183    HA   HIS  24           HA       HIS  24  48.742   1.284   5.913
  184    HB2  HIS  24           HB2      HIS  24  47.291  -0.911   7.441
  185    HB3  HIS  24           HB1      HIS  24  49.060  -0.715   7.418
  186    HD1  HIS  24           HD1      HIS  24  50.054   1.503   8.478
  187    HD2  HIS  24           HD2      HIS  24  45.925   0.951   9.061
  188    HE1  HIS  24           HE1      HIS  24  49.322   3.121  10.315
  Start of MODEL   64
    1    H1   PHE   1           HT1      PHE   1  65.772   2.562   3.159
    2    H2   PHE   1           HT2      PHE   1  66.446   1.801   1.797
    3    H3   PHE   1           HT3      PHE   1  65.188   1.051   2.659
    4    HA   PHE   1           HA       PHE   1  64.988   3.587   1.164
    5    HB2  PHE   1           HB2      PHE   1  63.899   0.814   0.537
    6    HB3  PHE   1           HB1      PHE   1  63.619   2.291  -0.415
    7    HD1  PHE   1           HD1      PHE   1  65.324   3.181  -1.885
    8    HD2  PHE   1           HD2      PHE   1  66.199  -0.156   0.709
    9    HE1  PHE   1           HE1      PHE   1  67.460   2.791  -3.106
   10    HE2  PHE   1           HE2      PHE   1  68.335  -0.545  -0.513
   11    HZ   PHE   1           HZ       PHE   1  68.921   0.873  -2.475
   12    H    LEU   2           HN       LEU   2  62.894   4.487   1.091
   13    HA   LEU   2           HA       LEU   2  61.400   4.113   3.574
   14    HB2  LEU   2           HB2      LEU   2  61.047   5.836   1.098
   15    HB3  LEU   2           HB1      LEU   2  59.811   5.786   2.376
   16    HG   LEU   2           HG       LEU   2  61.428   6.534   4.045
   17   HD11  LEU   2          HD11      LEU   2  63.759   7.252   3.150
   18   HD12  LEU   2          HD12      LEU   2  63.406   6.202   1.756
   19   HD13  LEU   2          HD13      LEU   2  63.479   5.513   3.395
   20   HD21  LEU   2          HD21      LEU   2  61.711   8.221   1.516
   21   HD22  LEU   2          HD22      LEU   2  61.839   8.788   3.200
   22   HD23  LEU   2          HD23      LEU   2  60.275   8.220   2.568
   23    H    GLY   3           HN       GLY   3  61.184   2.991   0.256
   24    HA2  GLY   3           HA1      GLY   3  59.769   1.447  -0.721
   25    HA3  GLY   3           HA2      GLY   3  59.334   0.922   0.919
   26    H    ALA   4           HN       ALA   4  58.752   4.184   0.773
   27    HA   ALA   4           HA       ALA   4  55.868   3.767   0.717
   28    HB1  ALA   4           HB1      ALA   4  57.567   6.283   0.773
   29    HB2  ALA   4           HB2      ALA   4  56.831   5.456   2.168
   30    HB3  ALA   4           HB3      ALA   4  55.797   6.250   0.955
   31    H    LEU   5           HN       LEU   5  54.425   5.142  -0.657
   32    HA   LEU   5           HA       LEU   5  55.070   4.638  -3.459
   33    HB2  LEU   5           HB2      LEU   5  52.739   5.916  -1.990
   34    HB3  LEU   5           HB1      LEU   5  52.828   5.922  -3.767
   35    HG   LEU   5           HG       LEU   5  52.912   3.487  -3.829
   36   HD11  LEU   5          HD11      LEU   5  53.115   3.765  -0.805
   37   HD12  LEU   5          HD12      LEU   5  54.196   2.884  -1.913
   38   HD13  LEU   5          HD13      LEU   5  52.569   2.254  -1.572
   39   HD21  LEU   5          HD21      LEU   5  50.685   4.571  -3.664
   40   HD22  LEU   5          HD22      LEU   5  50.770   4.470  -1.889
   41   HD23  LEU   5          HD23      LEU   5  50.686   2.983  -2.863
   42    H    ILE   6           HN       ILE   6  56.202   6.905  -1.414
   43    HA   ILE   6           HA       ILE   6  56.760   9.188  -1.561
   44    HB   ILE   6           HB       ILE   6  58.424   7.581  -2.992
   45   HG12  ILE   6          HG12      ILE   6  58.562  10.633  -3.019
   46   HG13  ILE   6          HG11      ILE   6  59.100   9.567  -1.703
   47   HG21  ILE   6          HG21      ILE   6  56.911   8.206  -5.120
   48   HG22  ILE   6          HG22      ILE   6  58.666   7.997  -5.263
   49   HG23  ILE   6          HG23      ILE   6  57.976   9.629  -5.169
   50   HD11  ILE   6           HD1      ILE   6  61.067  10.107  -2.964
   51   HD12  ILE   6           HD2      ILE   6  60.248   9.788  -4.512
   52   HD13  ILE   6           HD3      ILE   6  60.636   8.440  -3.415
   53    H    LYS   7           HN       LYS   7  57.161  10.761  -4.030
   54    HA   LYS   7           HA       LYS   7  55.828  12.438  -4.949
   55    HB2  LYS   7           HB2      LYS   7  54.839  10.410  -6.274
   56    HB3  LYS   7           HB1      LYS   7  53.530  10.426  -5.068
   57    HG2  LYS   7           HG2      LYS   7  53.037  12.789  -5.632
   58    HG3  LYS   7           HG1      LYS   7  54.341  12.771  -6.843
   59    HD2  LYS   7           HD2      LYS   7  53.160  10.846  -7.980
   60    HD3  LYS   7           HD1      LYS   7  51.803  11.083  -6.852
   61    HE2  LYS   7           HE2      LYS   7  51.477  13.372  -7.654
   62    HE3  LYS   7           HE1      LYS   7  52.912  13.243  -8.698
   63    HZ1  LYS   7           HZ1      LYS   7  51.711  11.257  -9.717
   64    HZ2  LYS   7           HZ2      LYS   7  51.115  12.803 -10.096
   65    HZ3  LYS   7           HZ3      LYS   7  50.314  11.839  -8.948
   66    H    GLY   8           HN       GLY   8  56.223  11.480  -2.449
   67    HA2  GLY   8           HA1      GLY   8  55.635  11.361  -0.317
   68    HA3  GLY   8           HA2      GLY   8  55.195  13.092  -0.566
   69    H    ALA   9           HN       ALA   9  54.058   9.758  -0.513
   70    HA   ALA   9           HA       ALA   9  51.979   8.840  -0.140
   71    HB1  ALA   9           HB1      ALA   9  50.532   9.970   1.464
   72    HB2  ALA   9           HB2      ALA   9  51.403  11.502   1.208
   73    HB3  ALA   9           HB3      ALA   9  52.229  10.124   1.975
   74    H    ILE  10           HN       ILE  10  52.238   9.689  -2.656
   75    HA   ILE  10           HA       ILE  10  51.179  10.703  -4.485
   76    HB   ILE  10           HB       ILE  10  48.740   9.892  -4.683
   77   HG12  ILE  10          HG12      ILE  10  49.469   8.461  -2.081
   78   HG13  ILE  10          HG11      ILE  10  48.342   9.832  -2.184
   79   HG21  ILE  10          HG21      ILE  10  50.787   7.760  -3.931
   80   HG22  ILE  10          HG22      ILE  10  50.802   8.636  -5.480
   81   HG23  ILE  10          HG23      ILE  10  49.424   7.598  -5.063
   82   HD11  ILE  10           HD1      ILE  10  48.023   7.020  -3.274
   83   HD12  ILE  10           HD2      ILE  10  47.097   8.368  -3.977
   84   HD13  ILE  10           HD3      ILE  10  46.909   7.958  -2.257
   85    H    HIS  11           HN       HIS  11  51.576  12.868  -3.555
   86    HA   HIS  11           HA       HIS  11  50.871  14.993  -2.955
   87    HB2  HIS  11           HB2      HIS  11  49.909  14.587  -5.282
   88    HB3  HIS  11           HB1      HIS  11  48.354  14.254  -4.489
   89    HD1  HIS  11           HD1      HIS  11  49.508  16.604  -2.242
   90    HD2  HIS  11           HD2      HIS  11  48.521  16.984  -6.308
   91    HE1  HIS  11           HE1      HIS  11  48.934  19.058  -2.660
   92    H    GLY  12           HN       GLY  12  50.065  12.691  -1.193
   93    HA2  GLY  12           HA1      GLY  12  48.620  12.266   0.587
   94    HA3  GLY  12           HA2      GLY  12  48.843  14.000   0.885
   95    H    GLY  13           HN       GLY  13  46.723  11.495  -0.310
   96    HA2  GLY  13           HA1      GLY  13  44.510  11.575  -1.032
   97    HA3  GLY  13           HA2      GLY  13  44.329  12.695   0.332
   98    H    ARG  14           HN       ARG  14  45.237  12.517  -3.117
   99    HA   ARG  14           HA       ARG  14  43.531  14.733  -3.805
  100    HB2  ARG  14           HB2      ARG  14  45.138  16.159  -2.731
  101    HB3  ARG  14           HB1      ARG  14  46.501  15.296  -3.471
  102    HG2  ARG  14           HG2      ARG  14  45.948  17.532  -4.542
  103    HG3  ARG  14           HG1      ARG  14  45.954  16.158  -5.669
  104    HD2  ARG  14           HD2      ARG  14  43.581  16.086  -5.773
  105    HD3  ARG  14           HD1      ARG  14  43.396  17.074  -4.304
  106    HE   ARG  14           HE       ARG  14  43.917  18.079  -7.022
  107   HH11  ARG  14          HH11      ARG  14  42.175  19.151  -4.656
  108   HH12  ARG  14          HH12      ARG  14  42.994  20.644  -4.344
  109   HH21  ARG  14          HH21      ARG  14  45.806  19.793  -6.184
  110   HH22  ARG  14          HH22      ARG  14  45.051  21.008  -5.207
  111    H    PHE  15           HN       PHE  15  46.751  13.424  -4.749
  112    HA   PHE  15           HA       PHE  15  46.102  13.452  -7.572
  113    HB2  PHE  15           HB2      PHE  15  48.427  13.482  -6.766
  114    HB3  PHE  15           HB1      PHE  15  48.208  11.878  -6.028
  115    HD1  PHE  15           HD1      PHE  15  48.834   9.984  -7.302
  116    HD2  PHE  15           HD2      PHE  15  47.738  13.632  -9.340
  117    HE1  PHE  15           HE1      PHE  15  49.395   8.933  -9.490
  118    HE2  PHE  15           HE2      PHE  15  48.301  12.578 -11.525
  119    HZ   PHE  15           HZ       PHE  15  49.208  10.258 -11.591
  120    H    ILE  16           HN       ILE  16  44.299  12.360  -8.167
  121    HA   ILE  16           HA       ILE  16  42.715  10.630  -8.172
  122    HB   ILE  16           HB       ILE  16  43.756   8.430  -9.050
  123   HG12  ILE  16          HG12      ILE  16  46.261  10.180  -9.117
  124   HG13  ILE  16          HG11      ILE  16  46.014   8.820  -8.000
  125   HG21  ILE  16          HG21      ILE  16  44.136   9.370 -11.250
  126   HG22  ILE  16          HG22      ILE  16  44.528  10.963 -10.562
  127   HG23  ILE  16          HG23      ILE  16  42.865  10.337 -10.474
  128   HD11  ILE  16           HD1      ILE  16  45.559   7.425 -10.188
  129   HD12  ILE  16           HD2      ILE  16  47.236   7.830  -9.757
  130   HD13  ILE  16           HD3      ILE  16  46.390   8.768 -11.008
  131    H    HIS  17           HN       HIS  17  42.544  10.956  -5.782
  132    HA   HIS  17           HA       HIS  17  42.785   8.291  -4.493
  133    HB2  HIS  17           HB2      HIS  17  44.963   9.412  -3.992
  134    HB3  HIS  17           HB1      HIS  17  44.065  10.748  -3.232
  135    HD1  HIS  17           HD1      HIS  17  45.009   7.114  -2.782
  136    HD2  HIS  17           HD2      HIS  17  42.732  10.022  -0.778
  137    HE1  HIS  17           HE1      HIS  17  44.554   6.237  -0.425
  138    H    GLY  18           HN       GLY  18  42.106  11.795  -3.851
  139    HA2  GLY  18           HA1      GLY  18  40.173  11.364  -1.812
  140    HA3  GLY  18           HA2      GLY  18  40.176  12.745  -2.944
  141    H    MET  19           HN       MET  19  39.791  11.900  -5.241
  142    HA   MET  19           HA       MET  19  38.343   9.929  -6.136
  143    HB2  MET  19           HB2      MET  19  36.511  11.314  -4.281
  144    HB3  MET  19           HB1      MET  19  35.827  11.063  -5.899
  145    HG2  MET  19           HG2      MET  19  35.977   8.713  -5.730
  146    HG3  MET  19           HG1      MET  19  37.179   8.782  -4.420
  147    HE1  MET  19           HE1      MET  19  35.801   7.065  -2.855
  148    HE2  MET  19           HE2      MET  19  34.900   6.910  -4.382
  149    HE3  MET  19           HE3      MET  19  34.021   7.103  -2.846
  150    H    ILE  20           HN       ILE  20  39.779  10.834  -7.586
  151    HA   ILE  20           HA       ILE  20  40.176  12.023  -9.539
  152    HB   ILE  20           HB       ILE  20  37.252  12.895  -9.630
  153   HG12  ILE  20          HG12      ILE  20  38.420  10.170 -10.378
  154   HG13  ILE  20          HG11      ILE  20  37.165  10.492  -9.163
  155   HG21  ILE  20          HG21      ILE  20  39.080  12.006 -11.903
  156   HG22  ILE  20          HG22      ILE  20  39.081  13.678 -11.304
  157   HG23  ILE  20          HG23      ILE  20  37.598  12.986 -11.994
  158   HD11  ILE  20           HD1      ILE  20  35.957   9.757 -11.071
  159   HD12  ILE  20           HD2      ILE  20  36.963  10.713 -12.184
  160   HD13  ILE  20           HD3      ILE  20  35.799  11.528 -11.113
  161    H    GLN  21           HN       GLN  21  39.725  12.884  -6.692
  162    HA   GLN  21           HA       GLN  21  40.559  14.860  -5.623
  163    HB2  GLN  21           HB2      GLN  21  41.121  15.917  -7.943
  164    HB3  GLN  21           HB1      GLN  21  39.468  16.576  -7.907
  165    HG2  GLN  21           HG2      GLN  21  39.894  17.867  -5.950
  166    HG3  GLN  21           HG1      GLN  21  41.407  17.007  -5.606
  167   HE21  GLN  21          HE21      GLN  21  40.897  19.973  -6.126
  168   HE22  GLN  21          HE22      GLN  21  41.974  20.365  -7.469
  169    H    ASN  22           HN       ASN  22  38.264  13.280  -5.670
  170    HA   ASN  22           HA       ASN  22  36.007  13.269  -5.175
  171    HB2  ASN  22           HB2      ASN  22  37.011  13.620  -3.031
  172    HB3  ASN  22           HB1      ASN  22  37.046  15.392  -3.288
  173   HD21  ASN  22          HD21      ASN  22  34.485  12.856  -3.834
  174   HD22  ASN  22          HD22      ASN  22  33.252  13.708  -2.899
  175    H    HIS  23           HN       HIS  23  36.219  14.265  -7.456
  176    HA   HIS  23           HA       HIS  23  35.172  15.659  -9.003
  177    HB2  HIS  23           HB2      HIS  23  33.146  14.754  -7.918
  178    HB3  HIS  23           HB1      HIS  23  33.189  16.076  -6.728
  179    HD1  HIS  23           HD1      HIS  23  33.183  15.703 -10.565
  180    HD2  HIS  23           HD2      HIS  23  31.623  18.185  -7.551
  181    HE1  HIS  23           HE1      HIS  23  31.770  17.497 -11.711
  182    H    HIS  24           HN       HIS  24  33.536  17.848  -6.991
  183    HA   HIS  24           HA       HIS  24  35.116  20.070  -7.908
  184    HB2  HIS  24           HB2      HIS  24  33.751  21.373  -6.247
  185    HB3  HIS  24           HB1      HIS  24  32.776  20.374  -7.352
  186    HD1  HIS  24           HD1      HIS  24  34.428  18.174  -4.992
  187    HD2  HIS  24           HD2      HIS  24  30.940  20.522  -4.954
  188    HE1  HIS  24           HE1      HIS  24  32.970  17.342  -3.066
  Start of MODEL   65
    1    H1   PHE   1           HT1      PHE   1  61.964   1.827  -0.448
    2    H2   PHE   1           HT2      PHE   1  60.361   1.263  -0.467
    3    H3   PHE   1           HT3      PHE   1  61.198   1.411   1.004
    4    HA   PHE   1           HA       PHE   1  61.423   3.857   0.359
    5    HB2  PHE   1           HB2      PHE   1  58.925   3.058  -1.181
    6    HB3  PHE   1           HB1      PHE   1  59.626   4.688  -1.032
    7    HD1  PHE   1           HD1      PHE   1  61.653   5.312  -2.251
    8    HD2  PHE   1           HD2      PHE   1  60.019   1.329  -2.557
    9    HE1  PHE   1           HE1      PHE   1  63.117   4.863  -4.215
   10    HE2  PHE   1           HE2      PHE   1  61.485   0.879  -4.522
   11    HZ   PHE   1           HZ       PHE   1  63.066   2.631  -5.323
   12    H    LEU   2           HN       LEU   2  59.297   5.269   0.951
   13    HA   LEU   2           HA       LEU   2  58.600   4.373   3.612
   14    HB2  LEU   2           HB2      LEU   2  57.176   6.546   2.039
   15    HB3  LEU   2           HB1      LEU   2  57.400   6.420   3.800
   16    HG   LEU   2           HG       LEU   2  59.588   6.893   1.727
   17   HD11  LEU   2          HD11      LEU   2  58.536   8.670   3.971
   18   HD12  LEU   2          HD12      LEU   2  58.074   8.830   2.260
   19   HD13  LEU   2          HD13      LEU   2  59.763   9.099   2.755
   20   HD21  LEU   2          HD21      LEU   2  60.960   7.281   3.899
   21   HD22  LEU   2          HD22      LEU   2  60.602   5.596   3.457
   22   HD23  LEU   2          HD23      LEU   2  59.657   6.402   4.733
   23    H    GLY   3           HN       GLY   3  55.954   5.035   3.952
   24    HA2  GLY   3           HA1      GLY   3  54.680   2.581   3.049
   25    HA3  GLY   3           HA2      GLY   3  53.943   3.870   4.021
   26    H    ALA   4           HN       ALA   4  55.501   4.741   1.038
   27    HA   ALA   4           HA       ALA   4  53.200   4.401  -0.681
   28    HB1  ALA   4           HB1      ALA   4  52.474   6.705  -0.858
   29    HB2  ALA   4           HB2      ALA   4  53.701   7.223   0.324
   30    HB3  ALA   4           HB3      ALA   4  52.345   6.191   0.840
   31    H    LEU   5           HN       LEU   5  53.523   5.345  -2.807
   32    HA   LEU   5           HA       LEU   5  56.372   5.333  -3.514
   33    HB2  LEU   5           HB2      LEU   5  53.771   5.602  -5.061
   34    HB3  LEU   5           HB1      LEU   5  55.347   5.830  -5.854
   35    HG   LEU   5           HG       LEU   5  56.054   3.576  -5.150
   36   HD11  LEU   5          HD11      LEU   5  54.164   2.069  -4.194
   37   HD12  LEU   5          HD12      LEU   5  53.346   3.589  -3.762
   38   HD13  LEU   5          HD13      LEU   5  54.945   3.208  -3.077
   39   HD21  LEU   5          HD21      LEU   5  54.503   2.285  -6.571
   40   HD22  LEU   5          HD22      LEU   5  54.819   3.882  -7.293
   41   HD23  LEU   5          HD23      LEU   5  53.286   3.578  -6.440
   42    H    ILE   6           HN       ILE   6  56.354   7.338  -1.841
   43    HA   ILE   6           HA       ILE   6  56.525   9.668  -1.536
   44    HB   ILE   6           HB       ILE   6  57.554   9.962  -4.393
   45   HG12  ILE   6          HG12      ILE   6  58.288   7.649  -3.740
   46   HG13  ILE   6          HG11      ILE   6  59.633   8.784  -3.945
   47   HG21  ILE   6          HG21      ILE   6  58.575  10.774  -1.630
   48   HG22  ILE   6          HG22      ILE   6  57.827  11.825  -2.851
   49   HG23  ILE   6          HG23      ILE   6  59.426  11.108  -3.155
   50   HD11  ILE   6           HD1      ILE   6  60.036   8.937  -1.622
   51   HD12  ILE   6           HD2      ILE   6  59.639   7.219  -1.851
   52   HD13  ILE   6           HD3      ILE   6  58.418   8.331  -1.199
   53    H    LYS   7           HN       LYS   7  56.545  11.512  -4.038
   54    HA   LYS   7           HA       LYS   7  54.914  13.058  -4.659
   55    HB2  LYS   7           HB2      LYS   7  52.952  10.712  -4.711
   56    HB3  LYS   7           HB1      LYS   7  52.811  12.249  -5.599
   57    HG2  LYS   7           HG2      LYS   7  54.848  11.676  -6.901
   58    HG3  LYS   7           HG1      LYS   7  54.962  10.128  -6.029
   59    HD2  LYS   7           HD2      LYS   7  52.763   9.446  -6.898
   60    HD3  LYS   7           HD1      LYS   7  52.585  11.014  -7.723
   61    HE2  LYS   7           HE2      LYS   7  54.544  10.542  -9.123
   62    HE3  LYS   7           HE1      LYS   7  54.828   9.016  -8.252
   63    HZ1  LYS   7           HZ1      LYS   7  52.182   9.453  -9.438
   64    HZ2  LYS   7           HZ2      LYS   7  53.064   8.013  -9.246
   65    HZ3  LYS   7           HZ3      LYS   7  53.465   9.100 -10.489
   66    H    GLY   8           HN       GLY   8  55.668  12.015  -2.277
   67    HA2  GLY   8           HA1      GLY   8  55.286  11.660  -0.115
   68    HA3  GLY   8           HA2      GLY   8  54.700  13.368  -0.192
   69    H    ALA   9           HN       ALA   9  53.763   9.980  -0.514
   70    HA   ALA   9           HA       ALA   9  51.883   8.842   0.130
   71    HB1  ALA   9           HB1      ALA   9  50.522   9.650   1.878
   72    HB2  ALA   9           HB2      ALA   9  50.768  11.350   1.417
   73    HB3  ALA   9           HB3      ALA   9  52.092  10.432   2.169
   74    H    ILE  10           HN       ILE  10  51.663   9.019  -2.257
   75    HA   ILE  10           HA       ILE  10  50.286   9.217  -4.090
   76    HB   ILE  10           HB       ILE  10  48.311   9.668  -1.840
   77   HG12  ILE  10          HG12      ILE  10  47.164   7.788  -2.969
   78   HG13  ILE  10          HG11      ILE  10  48.356   7.853  -4.288
   79   HG21  ILE  10          HG21      ILE  10  47.424  11.382  -3.215
   80   HG22  ILE  10          HG22      ILE  10  46.473   9.942  -3.644
   81   HG23  ILE  10          HG23      ILE  10  47.786  10.490  -4.712
   82   HD11  ILE  10           HD1      ILE  10  50.152   7.229  -2.810
   83   HD12  ILE  10           HD2      ILE  10  48.812   6.108  -2.477
   84   HD13  ILE  10           HD3      ILE  10  49.135   7.465  -1.370
   85    H    HIS  11           HN       HIS  11  49.178  11.986  -2.084
   86    HA   HIS  11           HA       HIS  11  50.649  13.880  -3.777
   87    HB2  HIS  11           HB2      HIS  11  48.583  13.324  -5.136
   88    HB3  HIS  11           HB1      HIS  11  47.603  13.966  -3.795
   89    HD1  HIS  11           HD1      HIS  11  50.781  15.233  -5.580
   90    HD2  HIS  11           HD2      HIS  11  46.997  16.592  -4.347
   91    HE1  HIS  11           HE1      HIS  11  50.594  17.688  -6.262
   92    H    GLY  12           HN       GLY  12  49.647  12.787  -0.965
   93    HA2  GLY  12           HA1      GLY  12  50.129  13.986   1.077
   94    HA3  GLY  12           HA2      GLY  12  49.659  15.512   0.301
   95    H    GLY  13           HN       GLY  13  47.988  12.350   0.369
   96    HA2  GLY  13           HA1      GLY  13  45.792  11.872   0.940
   97    HA3  GLY  13           HA2      GLY  13  46.161  12.788   2.414
   98    H    ARG  14           HN       ARG  14  45.119  13.158  -0.987
   99    HA   ARG  14           HA       ARG  14  42.993  14.975  -0.168
  100    HB2  ARG  14           HB2      ARG  14  45.349  16.280  -0.353
  101    HB3  ARG  14           HB1      ARG  14  44.929  16.298  -2.079
  102    HG2  ARG  14           HG2      ARG  14  43.260  17.392   0.235
  103    HG3  ARG  14           HG1      ARG  14  44.070  18.331  -1.039
  104    HD2  ARG  14           HD2      ARG  14  42.606  16.918  -2.695
  105    HD3  ARG  14           HD1      ARG  14  41.622  16.557  -1.254
  106    HE   ARG  14           HE       ARG  14  42.139  19.408  -1.549
  107   HH11  ARG  14          HH11      ARG  14  39.593  17.982  -0.608
  108   HH12  ARG  14          HH12      ARG  14  38.499  18.391  -1.888
  109   HH21  ARG  14          HH21      ARG  14  41.003  19.408  -4.061
  110   HH22  ARG  14          HH22      ARG  14  39.298  19.198  -3.843
  111    H    PHE  15           HN       PHE  15  45.016  13.533  -2.696
  112    HA   PHE  15           HA       PHE  15  43.146  13.981  -4.859
  113    HB2  PHE  15           HB2      PHE  15  45.534  13.468  -5.241
  114    HB3  PHE  15           HB1      PHE  15  45.297  11.849  -4.539
  115    HD1  PHE  15           HD1      PHE  15  44.595  14.050  -7.431
  116    HD2  PHE  15           HD2      PHE  15  44.005  10.129  -5.729
  117    HE1  PHE  15           HE1      PHE  15  43.822  13.206  -9.644
  118    HE2  PHE  15           HE2      PHE  15  43.230   9.284  -7.941
  119    HZ   PHE  15           HZ       PHE  15  43.053  10.847  -9.874
  120    H    ILE  16           HN       ILE  16  43.383  11.697  -2.251
  121    HA   ILE  16           HA       ILE  16  40.754  10.646  -2.826
  122    HB   ILE  16           HB       ILE  16  42.018   9.351  -4.514
  123   HG12  ILE  16          HG12      ILE  16  41.114   7.642  -2.150
  124   HG13  ILE  16          HG11      ILE  16  40.032   8.392  -3.344
  125   HG21  ILE  16          HG21      ILE  16  43.913   8.073  -4.069
  126   HG22  ILE  16          HG22      ILE  16  43.471   7.782  -2.375
  127   HG23  ILE  16          HG23      ILE  16  44.155   9.352  -2.858
  128   HD11  ILE  16           HD1      ILE  16  40.397   6.123  -4.067
  129   HD12  ILE  16           HD2      ILE  16  42.155   6.267  -3.834
  130   HD13  ILE  16           HD3      ILE  16  41.355   7.163  -5.147
  131    H    HIS  17           HN       HIS  17  40.925  11.763  -0.735
  132    HA   HIS  17           HA       HIS  17  40.893   9.844   1.407
  133    HB2  HIS  17           HB2      HIS  17  43.369  10.032   1.189
  134    HB3  HIS  17           HB1      HIS  17  43.240  11.792   1.423
  135    HD1  HIS  17           HD1      HIS  17  41.122   9.272   3.328
  136    HD2  HIS  17           HD2      HIS  17  44.393  11.830   3.998
  137    HE1  HIS  17           HE1      HIS  17  41.566   9.297   5.845
  138    H    GLY  18           HN       GLY  18  40.871  13.018   0.053
  139    HA2  GLY  18           HA1      GLY  18  38.860  13.883   2.038
  140    HA3  GLY  18           HA2      GLY  18  40.356  14.838   1.982
  141    H    MET  19           HN       MET  19  38.249  13.266  -0.439
  142    HA   MET  19           HA       MET  19  37.241  15.701  -1.614
  143    HB2  MET  19           HB2      MET  19  39.587  15.842  -2.225
  144    HB3  MET  19           HB1      MET  19  39.436  14.280  -3.015
  145    HG2  MET  19           HG2      MET  19  37.788  15.186  -4.593
  146    HG3  MET  19           HG1      MET  19  37.800  16.745  -3.736
  147    HE1  MET  19           HE1      MET  19  38.051  17.077  -6.561
  148    HE2  MET  19           HE2      MET  19  39.540  18.016  -6.826
  149    HE3  MET  19           HE3      MET  19  38.478  18.399  -5.450
  150    H    ILE  20           HN       ILE  20  38.583  12.608  -2.901
  151    HA   ILE  20           HA       ILE  20  36.063  11.980  -4.247
  152    HB   ILE  20           HB       ILE  20  38.186  10.012  -3.256
  153   HG12  ILE  20          HG12      ILE  20  39.453  11.506  -4.597
  154   HG13  ILE  20          HG11      ILE  20  39.010  10.216  -5.728
  155   HG21  ILE  20          HG21      ILE  20  35.990   9.886  -5.362
  156   HG22  ILE  20          HG22      ILE  20  36.181   8.878  -3.913
  157   HG23  ILE  20          HG23      ILE  20  37.310   8.698  -5.272
  158   HD11  ILE  20           HD1      ILE  20  38.615  12.283  -6.883
  159   HD12  ILE  20           HD2      ILE  20  37.791  12.998  -5.476
  160   HD13  ILE  20           HD3      ILE  20  37.009  11.697  -6.401
  161    H    GLN  21           HN       GLN  21  37.151  12.422  -1.213
  162    HA   GLN  21           HA       GLN  21  34.960  10.859   0.076
  163    HB2  GLN  21           HB2      GLN  21  37.583  11.774   1.333
  164    HB3  GLN  21           HB1      GLN  21  36.334  10.737   2.064
  165    HG2  GLN  21           HG2      GLN  21  36.745   9.076   0.188
  166    HG3  GLN  21           HG1      GLN  21  38.141  10.070  -0.296
  167   HE21  GLN  21          HE21      GLN  21  38.835   7.535   0.418
  168   HE22  GLN  21          HE22      GLN  21  39.525   7.502   2.044
  169    H    ASN  22           HN       ASN  22  36.716  13.995  -0.555
  170    HA   ASN  22           HA       ASN  22  34.606  15.271   1.283
  171    HB2  ASN  22           HB2      ASN  22  37.155  15.486   1.859
  172    HB3  ASN  22           HB1      ASN  22  37.185  16.659   0.527
  173   HD21  ASN  22          HD21      ASN  22  36.590  16.318   3.873
  174   HD22  ASN  22          HD22      ASN  22  35.710  17.833   4.110
  175    H    HIS  23           HN       HIS  23  34.309  14.555  -1.607
  176    HA   HIS  23           HA       HIS  23  34.541  17.018  -3.119
  177    HB2  HIS  23           HB2      HIS  23  34.420  14.817  -4.220
  178    HB3  HIS  23           HB1      HIS  23  32.779  14.573  -3.576
  179    HD1  HIS  23           HD1      HIS  23  31.021  15.090  -5.256
  180    HD2  HIS  23           HD2      HIS  23  34.451  17.460  -5.803
  181    HE1  HIS  23           HE1      HIS  23  30.567  16.643  -7.232
  182    H    HIS  24           HN       HIS  24  33.633  18.543  -1.585
  183    HA   HIS  24           HA       HIS  24  31.022  18.475  -0.549
  184    HB2  HIS  24           HB2      HIS  24  32.784  20.207  -0.070
  185    HB3  HIS  24           HB1      HIS  24  32.422  20.942  -1.651
  186    HD1  HIS  24           HD1      HIS  24  29.688  19.419   0.475
  187    HD2  HIS  24           HD2      HIS  24  31.146  23.226  -0.554
  188    HE1  HIS  24           HE1      HIS  24  28.003  21.136   1.333
  Start of MODEL   66
    1    H1   PHE   1           HT1      PHE   1  61.145  11.988  -9.694
    2    H2   PHE   1           HT2      PHE   1  60.422  10.756 -10.614
    3    H3   PHE   1           HT3      PHE   1  61.936  11.381 -11.064
    4    HA   PHE   1           HA       PHE   1  62.443   9.385 -10.082
    5    HB2  PHE   1           HB2      PHE   1  63.751  11.345  -9.233
    6    HB3  PHE   1           HB1      PHE   1  62.618  11.462  -7.864
    7    HD1  PHE   1           HD1      PHE   1  62.579   9.764  -6.101
    8    HD2  PHE   1           HD2      PHE   1  65.296   9.441  -9.438
    9    HE1  PHE   1           HE1      PHE   1  63.860   8.004  -4.887
   10    HE2  PHE   1           HE2      PHE   1  66.578   7.682  -8.225
   11    HZ   PHE   1           HZ       PHE   1  65.846   6.946  -5.959
   12    H    LEU   2           HN       LEU   2  61.672   7.621  -9.103
   13    HA   LEU   2           HA       LEU   2  60.012   7.812  -6.706
   14    HB2  LEU   2           HB2      LEU   2  58.029   6.687  -7.694
   15    HB3  LEU   2           HB1      LEU   2  58.268   8.331  -8.315
   16    HG   LEU   2           HG       LEU   2  59.464   5.985  -9.847
   17   HD11  LEU   2          HD11      LEU   2  56.565   6.917 -10.036
   18   HD12  LEU   2          HD12      LEU   2  57.115   5.339  -9.424
   19   HD13  LEU   2          HD13      LEU   2  57.361   5.765 -11.134
   20   HD21  LEU   2          HD21      LEU   2  60.050   8.185 -10.692
   21   HD22  LEU   2          HD22      LEU   2  58.363   8.738 -10.597
   22   HD23  LEU   2          HD23      LEU   2  58.834   7.510 -11.793
   23    H    GLY   3           HN       GLY   3  59.016   5.498  -6.279
   24    HA2  GLY   3           HA1      GLY   3  60.266   3.209  -7.408
   25    HA3  GLY   3           HA2      GLY   3  61.247   3.738  -6.027
   26    H    ALA   4           HN       ALA   4  58.440   4.845  -5.047
   27    HA   ALA   4           HA       ALA   4  56.949   2.442  -4.416
   28    HB1  ALA   4           HB1      ALA   4  59.018   2.183  -2.976
   29    HB2  ALA   4           HB2      ALA   4  57.472   2.199  -2.093
   30    HB3  ALA   4           HB3      ALA   4  58.504   3.649  -2.109
   31    H    LEU   5           HN       LEU   5  56.165   3.469  -1.748
   32    HA   LEU   5           HA       LEU   5  54.144   5.354  -2.698
   33    HB2  LEU   5           HB2      LEU   5  54.846   4.140  -0.004
   34    HB3  LEU   5           HB1      LEU   5  53.612   5.411  -0.146
   35    HG   LEU   5           HG       LEU   5  52.409   4.003  -1.840
   36   HD11  LEU   5          HD11      LEU   5  54.117   2.613  -2.762
   37   HD12  LEU   5          HD12      LEU   5  53.108   1.508  -1.802
   38   HD13  LEU   5          HD13      LEU   5  54.666   2.076  -1.157
   39   HD21  LEU   5          HD21      LEU   5  51.479   2.448  -0.208
   40   HD22  LEU   5          HD22      LEU   5  51.888   3.966   0.628
   41   HD23  LEU   5          HD23      LEU   5  52.953   2.547   0.785
   42    H    ILE   6           HN       ILE   6  55.035   7.258  -3.357
   43    HA   ILE   6           HA       ILE   6  56.037   9.032  -1.150
   44    HB   ILE   6           HB       ILE   6  57.570   9.081  -3.798
   45   HG12  ILE   6          HG12      ILE   6  58.132   7.200  -1.457
   46   HG13  ILE   6          HG11      ILE   6  57.714   6.725  -3.121
   47   HG21  ILE   6          HG21      ILE   6  59.226  10.194  -2.511
   48   HG22  ILE   6          HG22      ILE   6  58.601   9.550  -0.973
   49   HG23  ILE   6          HG23      ILE   6  57.699  10.812  -1.841
   50   HD11  ILE   6           HD1      ILE   6  60.092   6.534  -2.989
   51   HD12  ILE   6           HD2      ILE   6  60.248   8.089  -2.137
   52   HD13  ILE   6           HD3      ILE   6  59.795   8.058  -3.860
   53    H    LYS   7           HN       LYS   7  56.928  10.894  -3.467
   54    HA   LYS   7           HA       LYS   7  55.835  12.807  -4.239
   55    HB2  LYS   7           HB2      LYS   7  53.410  11.030  -4.793
   56    HB3  LYS   7           HB1      LYS   7  53.843  12.554  -5.607
   57    HG2  LYS   7           HG2      LYS   7  55.932  11.428  -6.465
   58    HG3  LYS   7           HG1      LYS   7  55.331   9.899  -5.781
   59    HD2  LYS   7           HD2      LYS   7  53.294  10.065  -7.174
   60    HD3  LYS   7           HD1      LYS   7  53.880  11.603  -7.853
   61    HE2  LYS   7           HE2      LYS   7  55.948  10.370  -8.646
   62    HE3  LYS   7           HE1      LYS   7  55.165   8.855  -8.138
   63    HZ1  LYS   7           HZ1      LYS   7  54.169  10.793 -10.165
   64    HZ2  LYS   7           HZ2      LYS   7  53.278   9.462  -9.600
   65    HZ3  LYS   7           HZ3      LYS   7  54.729   9.218 -10.448
   66    H    GLY   8           HN       GLY   8  55.897  11.547  -1.845
   67    HA2  GLY   8           HA1      GLY   8  55.050  11.214   0.188
   68    HA3  GLY   8           HA2      GLY   8  54.888  13.011   0.141
   69    H    ALA   9           HN       ALA   9  53.259   9.988  -0.750
   70    HA   ALA   9           HA       ALA   9  51.088   9.294  -0.483
   71    HB1  ALA   9           HB1      ALA   9  51.302  10.693   1.710
   72    HB2  ALA   9           HB2      ALA   9  49.676  10.279   1.118
   73    HB3  ALA   9           HB3      ALA   9  50.332  11.909   0.849
   74    H    ILE  10           HN       ILE  10  51.382   9.684  -2.850
   75    HA   ILE  10           HA       ILE  10  50.794  10.716  -4.855
   76    HB   ILE  10           HB       ILE  10  48.148  10.966  -4.980
   77   HG12  ILE  10          HG12      ILE  10  48.525   9.488  -2.328
   78   HG13  ILE  10          HG11      ILE  10  47.802  11.103  -2.521
   79   HG21  ILE  10          HG21      ILE  10  49.369   8.258  -4.276
   80   HG22  ILE  10          HG22      ILE  10  49.543   9.048  -5.862
   81   HG23  ILE  10          HG23      ILE  10  47.937   8.558  -5.289
   82   HD11  ILE  10           HD1      ILE  10  46.192   9.817  -4.221
   83   HD12  ILE  10           HD2      ILE  10  45.882   9.759  -2.472
   84   HD13  ILE  10           HD3      ILE  10  46.688   8.395  -3.279
   85    H    HIS  11           HN       HIS  11  47.983  12.455  -3.968
   86    HA   HIS  11           HA       HIS  11  49.469  14.985  -4.469
   87    HB2  HIS  11           HB2      HIS  11  47.242  14.419  -5.564
   88    HB3  HIS  11           HB1      HIS  11  46.491  14.629  -3.963
   89    HD1  HIS  11           HD1      HIS  11  45.360  16.859  -3.988
   90    HD2  HIS  11           HD2      HIS  11  49.202  17.003  -5.697
   91    HE1  HIS  11           HE1      HIS  11  45.844  19.299  -4.572
   92    H    GLY  12           HN       GLY  12  50.012  13.580  -2.005
   93    HA2  GLY  12           HA1      GLY  12  50.461  14.310   0.165
   94    HA3  GLY  12           HA2      GLY  12  49.583  15.815  -0.169
   95    H    GLY  13           HN       GLY  13  48.174  12.654  -0.763
   96    HA2  GLY  13           HA1      GLY  13  46.457  11.527   0.307
   97    HA3  GLY  13           HA2      GLY  13  46.868  12.400   1.798
   98    H    ARG  14           HN       ARG  14  45.865  13.619  -1.408
   99    HA   ARG  14           HA       ARG  14  43.345  14.681  -0.143
  100    HB2  ARG  14           HB2      ARG  14  45.286  16.194  -1.934
  101    HB3  ARG  14           HB1      ARG  14  43.681  16.781  -1.443
  102    HG2  ARG  14           HG2      ARG  14  45.899  16.003   0.506
  103    HG3  ARG  14           HG1      ARG  14  45.579  17.667  -0.022
  104    HD2  ARG  14           HD2      ARG  14  43.092  17.118   0.798
  105    HD3  ARG  14           HD1      ARG  14  43.925  15.886   1.777
  106    HE   ARG  14           HE       ARG  14  45.285  18.390   2.073
  107   HH11  ARG  14          HH11      ARG  14  45.153  17.682   4.583
  108   HH12  ARG  14          HH12      ARG  14  43.643  18.182   5.264
  109   HH21  ARG  14          HH21      ARG  14  42.105  18.648   2.191
  110   HH22  ARG  14          HH22      ARG  14  41.917  18.727   3.911
  111    H    PHE  15           HN       PHE  15  45.113  13.543  -3.014
  112    HA   PHE  15           HA       PHE  15  43.134  14.042  -4.970
  113    HB2  PHE  15           HB2      PHE  15  45.481  12.900  -5.188
  114    HB3  PHE  15           HB1      PHE  15  44.607  11.390  -4.878
  115    HD1  PHE  15           HD1      PHE  15  43.557  10.268  -6.689
  116    HD2  PHE  15           HD2      PHE  15  44.487  14.469  -7.046
  117    HE1  PHE  15           HE1      PHE  15  42.834  10.227  -9.072
  118    HE2  PHE  15           HE2      PHE  15  43.762  14.427  -9.428
  119    HZ   PHE  15           HZ       PHE  15  42.962  12.300 -10.450
  120    H    ILE  16           HN       ILE  16  43.449  11.231  -2.771
  121    HA   ILE  16           HA       ILE  16  40.526  10.930  -2.710
  122    HB   ILE  16           HB       ILE  16  40.672   8.462  -3.364
  123   HG12  ILE  16          HG12      ILE  16  43.354   9.420  -4.481
  124   HG13  ILE  16          HG11      ILE  16  43.128   8.191  -3.223
  125   HG21  ILE  16          HG21      ILE  16  41.415  10.322  -5.660
  126   HG22  ILE  16          HG22      ILE  16  39.831  10.401  -4.854
  127   HG23  ILE  16          HG23      ILE  16  40.329   8.914  -5.688
  128   HD11  ILE  16           HD1      ILE  16  41.681   6.935  -4.995
  129   HD12  ILE  16           HD2      ILE  16  43.450   6.918  -5.192
  130   HD13  ILE  16           HD3      ILE  16  42.458   8.018  -6.175
  131    H    HIS  17           HN       HIS  17  41.510  11.654  -0.577
  132    HA   HIS  17           HA       HIS  17  41.443   9.372   1.216
  133    HB2  HIS  17           HB2      HIS  17  43.813   9.215   0.374
  134    HB3  HIS  17           HB1      HIS  17  44.104  10.841   1.036
  135    HD1  HIS  17           HD1      HIS  17  42.595   7.530   2.317
  136    HD2  HIS  17           HD2      HIS  17  45.063  10.681   3.611
  137    HE1  HIS  17           HE1      HIS  17  43.318   6.999   4.710
  138    H    GLY  18           HN       GLY  18  41.543  12.650   0.372
  139    HA2  GLY  18           HA1      GLY  18  40.561  13.423   3.077
  140    HA3  GLY  18           HA2      GLY  18  41.940  14.314   2.392
  141    H    MET  19           HN       MET  19  38.964  12.937   1.008
  142    HA   MET  19           HA       MET  19  37.598  15.430   0.511
  143    HB2  MET  19           HB2      MET  19  39.477  15.715  -0.960
  144    HB3  MET  19           HB1      MET  19  39.121  14.159  -1.692
  145    HG2  MET  19           HG2      MET  19  37.021  14.969  -2.591
  146    HG3  MET  19           HG1      MET  19  37.150  16.475  -1.653
  147    HE1  MET  19           HE1      MET  19  38.071  18.739  -2.935
  148    HE2  MET  19           HE2      MET  19  39.821  18.531  -3.188
  149    HE3  MET  19           HE3      MET  19  39.060  17.936  -1.693
  150    H    ILE  20           HN       ILE  20  38.362  12.371  -1.266
  151    HA   ILE  20           HA       ILE  20  35.480  11.827  -1.621
  152    HB   ILE  20           HB       ILE  20  37.836   9.870  -1.709
  153   HG12  ILE  20          HG12      ILE  20  38.337  11.496  -3.382
  154   HG13  ILE  20          HG11      ILE  20  37.553  10.174  -4.265
  155   HG21  ILE  20          HG21      ILE  20  36.149   8.639  -3.261
  156   HG22  ILE  20          HG22      ILE  20  34.922   9.720  -2.563
  157   HG23  ILE  20          HG23      ILE  20  35.835   8.617  -1.514
  158   HD11  ILE  20           HD1      ILE  20  36.550  12.166  -5.106
  159   HD12  ILE  20           HD2      ILE  20  36.398  12.876  -3.483
  160   HD13  ILE  20           HD3      ILE  20  35.354  11.520  -3.964
  161    H    GLN  21           HN       GLN  21  37.650  12.138   0.759
  162    HA   GLN  21           HA       GLN  21  36.106  10.496   2.709
  163    HB2  GLN  21           HB2      GLN  21  39.087  10.933   2.369
  164    HB3  GLN  21           HB1      GLN  21  38.423  10.732   4.007
  165    HG2  GLN  21           HG2      GLN  21  39.180   8.568   3.011
  166    HG3  GLN  21           HG1      GLN  21  37.439   8.574   3.380
  167   HE21  GLN  21          HE21      GLN  21  39.727   9.254   0.641
  168   HE22  GLN  21          HE22      GLN  21  38.622   8.669  -0.604
  169    H    ASN  22           HN       ASN  22  37.566  13.658   1.602
  170    HA   ASN  22           HA       ASN  22  36.447  14.800   4.235
  171    HB2  ASN  22           HB2      ASN  22  38.990  15.051   3.690
  172    HB3  ASN  22           HB1      ASN  22  38.457  16.266   2.511
  173   HD21  ASN  22          HD21      ASN  22  38.251  15.403   6.016
  174   HD22  ASN  22          HD22      ASN  22  38.015  17.069   6.554
  175    H    HIS  23           HN       HIS  23  35.055  14.199   1.615
  176    HA   HIS  23           HA       HIS  23  33.582  15.274   0.173
  177    HB2  HIS  23           HB2      HIS  23  33.376  17.131   2.576
  178    HB3  HIS  23           HB1      HIS  23  32.212  17.054   1.231
  179    HD1  HIS  23           HD1      HIS  23  33.485  13.713   1.811
  180    HD2  HIS  23           HD2      HIS  23  30.588  16.129   3.668
  181    HE1  HIS  23           HE1      HIS  23  31.948  12.168   3.145
  182    H    HIS  24           HN       HIS  24  32.861  17.692  -0.551
  183    HA   HIS  24           HA       HIS  24  34.987  18.673  -2.116
  184    HB2  HIS  24           HB2      HIS  24  33.583  20.702  -2.418
  185    HB3  HIS  24           HB1      HIS  24  32.640  19.202  -2.578
  186    HD1  HIS  24           HD1      HIS  24  33.041  22.278  -0.479
  187    HD2  HIS  24           HD2      HIS  24  30.941  18.638  -0.294
  188    HE1  HIS  24           HE1      HIS  24  31.273  22.511   1.353
  Start of MODEL   67
    1    H1   PHE   1           HT1      PHE   1  53.307   1.557 -12.635
    2    H2   PHE   1           HT2      PHE   1  54.777   1.960 -11.884
    3    H3   PHE   1           HT3      PHE   1  53.331   2.695 -11.380
    4    HA   PHE   1           HA       PHE   1  52.513   0.426 -10.802
    5    HB2  PHE   1           HB2      PHE   1  55.496  -0.159 -10.970
    6    HB3  PHE   1           HB1      PHE   1  54.217  -1.275 -10.436
    7    HD1  PHE   1           HD1      PHE   1  52.642  -2.261 -12.038
    8    HD2  PHE   1           HD2      PHE   1  55.742   0.444 -13.338
    9    HE1  PHE   1           HE1      PHE   1  52.254  -2.954 -14.401
   10    HE2  PHE   1           HE2      PHE   1  55.355  -0.248 -15.701
   11    HZ   PHE   1           HZ       PHE   1  53.676  -2.015 -16.219
   12    H    LEU   2           HN       LEU   2  54.262   3.100 -10.080
   13    HA   LEU   2           HA       LEU   2  54.924   4.112  -8.099
   14    HB2  LEU   2           HB2      LEU   2  52.716   2.242  -7.179
   15    HB3  LEU   2           HB1      LEU   2  53.557   3.306  -6.028
   16    HG   LEU   2           HG       LEU   2  52.907   5.284  -7.303
   17   HD11  LEU   2          HD11      LEU   2  52.973   4.569  -9.577
   18   HD12  LEU   2          HD12      LEU   2  51.256   4.911  -9.264
   19   HD13  LEU   2          HD13      LEU   2  51.841   3.229  -9.277
   20   HD21  LEU   2          HD21      LEU   2  51.288   4.393  -5.658
   21   HD22  LEU   2          HD22      LEU   2  50.565   3.362  -6.918
   22   HD23  LEU   2          HD23      LEU   2  50.439   5.134  -7.035
   23    H    GLY   3           HN       GLY   3  54.177   1.250  -6.229
   24    HA2  GLY   3           HA1      GLY   3  55.558  -0.056  -4.907
   25    HA3  GLY   3           HA2      GLY   3  56.570  -0.189  -6.359
   26    H    ALA   4           HN       ALA   4  55.788   2.549  -4.179
   27    HA   ALA   4           HA       ALA   4  58.487   2.575  -3.057
   28    HB1  ALA   4           HB1      ALA   4  57.699   4.802  -4.969
   29    HB2  ALA   4           HB2      ALA   4  58.899   3.533  -5.313
   30    HB3  ALA   4           HB3      ALA   4  59.193   4.707  -4.008
   31    H    LEU   5           HN       LEU   5  55.248   3.734  -3.428
   32    HA   LEU   5           HA       LEU   5  53.910   5.059  -2.081
   33    HB2  LEU   5           HB2      LEU   5  54.806   3.081  -0.560
   34    HB3  LEU   5           HB1      LEU   5  55.686   4.373   0.282
   35    HG   LEU   5           HG       LEU   5  52.669   4.266  -0.193
   36   HD11  LEU   5          HD11      LEU   5  54.322   4.010   2.360
   37   HD12  LEU   5          HD12      LEU   5  53.535   2.661   1.507
   38   HD13  LEU   5          HD13      LEU   5  52.548   3.945   2.245
   39   HD21  LEU   5          HD21      LEU   5  53.258   6.577  -0.177
   40   HD22  LEU   5          HD22      LEU   5  54.508   6.341   1.068
   41   HD23  LEU   5          HD23      LEU   5  52.786   6.235   1.502
   42    H    ILE   6           HN       ILE   6  54.572   7.019  -3.093
   43    HA   ILE   6           HA       ILE   6  55.550   8.987  -1.188
   44    HB   ILE   6           HB       ILE   6  57.691   7.682  -2.123
   45   HG12  ILE   6          HG12      ILE   6  57.571  10.737  -2.125
   46   HG13  ILE   6          HG11      ILE   6  57.747   9.701  -0.694
   47   HG21  ILE   6          HG21      ILE   6  57.749   9.725  -4.336
   48   HG22  ILE   6          HG22      ILE   6  56.744   8.282  -4.597
   49   HG23  ILE   6          HG23      ILE   6  58.477   8.109  -4.252
   50   HD11  ILE   6           HD1      ILE   6  59.826   8.722  -1.766
   51   HD12  ILE   6           HD2      ILE   6  59.959  10.440  -1.319
   52   HD13  ILE   6           HD3      ILE   6  59.695   9.979  -3.017
   53    H    LYS   7           HN       LYS   7  56.599  10.727  -3.480
   54    HA   LYS   7           HA       LYS   7  55.500  12.436  -4.614
   55    HB2  LYS   7           HB2      LYS   7  54.847  10.442  -6.185
   56    HB3  LYS   7           HB1      LYS   7  53.294  10.442  -5.315
   57    HG2  LYS   7           HG2      LYS   7  52.992  12.850  -5.906
   58    HG3  LYS   7           HG1      LYS   7  54.510  12.791  -6.837
   59    HD2  LYS   7           HD2      LYS   7  53.560  11.008  -8.276
   60    HD3  LYS   7           HD1      LYS   7  52.040  11.075  -7.352
   61    HE2  LYS   7           HE2      LYS   7  53.268  13.392  -8.913
   62    HE3  LYS   7           HE1      LYS   7  51.880  12.409  -9.438
   63    HZ1  LYS   7           HZ1      LYS   7  50.560  13.697  -8.236
   64    HZ2  LYS   7           HZ2      LYS   7  51.883  14.645  -7.750
   65    HZ3  LYS   7           HZ3      LYS   7  51.407  13.304  -6.821
   66    H    GLY   8           HN       GLY   8  55.323  11.399  -2.120
   67    HA2  GLY   8           HA1      GLY   8  54.229  11.176  -0.194
   68    HA3  GLY   8           HA2      GLY   8  53.926  12.937  -0.446
   69    H    ALA   9           HN       ALA   9  52.683   9.667  -0.881
   70    HA   ALA   9           HA       ALA   9  50.549   8.858  -1.211
   71    HB1  ALA   9           HB1      ALA   9  50.455   9.633   1.144
   72    HB2  ALA   9           HB2      ALA   9  48.872   9.729   0.335
   73    HB3  ALA   9           HB3      ALA   9  49.838  11.204   0.583
   74    H    ILE  10           HN       ILE  10  51.228  10.149  -3.418
   75    HA   ILE  10           HA       ILE  10  50.255  10.978  -5.326
   76    HB   ILE  10           HB       ILE  10  47.943  10.224  -3.821
   77   HG12  ILE  10          HG12      ILE  10  46.787  10.495  -6.139
   78   HG13  ILE  10          HG11      ILE  10  48.372  11.054  -6.719
   79   HG21  ILE  10          HG21      ILE  10  46.252  11.915  -4.311
   80   HG22  ILE  10          HG22      ILE  10  47.473  12.979  -5.044
   81   HG23  ILE  10          HG23      ILE  10  47.523  12.632  -3.300
   82   HD11  ILE  10           HD1      ILE  10  48.386   8.718  -7.151
   83   HD12  ILE  10           HD2      ILE  10  47.604   8.337  -5.598
   84   HD13  ILE  10           HD3      ILE  10  49.303   8.864  -5.634
   85    H    HIS  11           HN       HIS  11  49.494  12.805  -2.363
   86    HA   HIS  11           HA       HIS  11  50.939  15.129  -3.366
   87    HB2  HIS  11           HB2      HIS  11  47.898  15.172  -3.237
   88    HB3  HIS  11           HB1      HIS  11  48.871  16.655  -3.108
   89    HD1  HIS  11           HD1      HIS  11  47.073  14.836  -5.556
   90    HD2  HIS  11           HD2      HIS  11  50.945  16.477  -5.490
   91    HE1  HIS  11           HE1      HIS  11  47.809  15.152  -7.983
   92    H    GLY  12           HN       GLY  12  49.224  13.274  -1.051
   93    HA2  GLY  12           HA1      GLY  12  50.553  13.846   1.215
   94    HA3  GLY  12           HA2      GLY  12  49.498  15.274   1.120
   95    H    GLY  13           HN       GLY  13  48.070  12.607  -0.375
   96    HA2  GLY  13           HA1      GLY  13  46.456  11.082   0.311
   97    HA3  GLY  13           HA2      GLY  13  46.969  11.328   1.992
   98    H    ARG  14           HN       ARG  14  45.286  13.058  -0.672
   99    HA   ARG  14           HA       ARG  14  42.946  13.515   0.966
  100    HB2  ARG  14           HB2      ARG  14  43.153  15.984   1.181
  101    HB3  ARG  14           HB1      ARG  14  44.363  15.104   2.136
  102    HG2  ARG  14           HG2      ARG  14  45.861  16.556   1.137
  103    HG3  ARG  14           HG1      ARG  14  45.759  15.431  -0.232
  104    HD2  ARG  14           HD2      ARG  14  43.709  16.911  -0.977
  105    HD3  ARG  14           HD1      ARG  14  44.397  18.115   0.135
  106    HE   ARG  14           HE       ARG  14  46.457  17.099  -1.605
  107   HH11  ARG  14          HH11      ARG  14  47.231  18.563  -3.147
  108   HH12  ARG  14          HH12      ARG  14  46.192  19.825  -3.718
  109   HH21  ARG  14          HH21      ARG  14  43.560  18.966  -1.631
  110   HH22  ARG  14          HH22      ARG  14  44.114  20.053  -2.860
  111    H    PHE  15           HN       PHE  15  44.960  14.704  -1.732
  112    HA   PHE  15           HA       PHE  15  43.179  16.074  -3.313
  113    HB2  PHE  15           HB2      PHE  15  45.587  15.345  -3.851
  114    HB3  PHE  15           HB1      PHE  15  44.880  13.839  -4.483
  115    HD1  PHE  15           HD1      PHE  15  44.399  17.578  -4.704
  116    HD2  PHE  15           HD2      PHE  15  44.263  13.788  -6.769
  117    HE1  PHE  15           HE1      PHE  15  43.863  18.755  -6.833
  118    HE2  PHE  15           HE2      PHE  15  43.727  14.967  -8.896
  119    HZ   PHE  15           HZ       PHE  15  43.577  17.454  -8.939
  120    H    ILE  16           HN       ILE  16  43.215  12.632  -2.668
  121    HA   ILE  16           HA       ILE  16  40.421  12.382  -3.482
  122    HB   ILE  16           HB       ILE  16  40.872  10.455  -5.055
  123   HG12  ILE  16          HG12      ILE  16  43.700  11.614  -5.041
  124   HG13  ILE  16          HG11      ILE  16  43.231  10.050  -4.340
  125   HG21  ILE  16          HG21      ILE  16  40.370  12.893  -5.768
  126   HG22  ILE  16          HG22      ILE  16  41.105  11.833  -6.989
  127   HG23  ILE  16          HG23      ILE  16  42.109  13.023  -6.126
  128   HD11  ILE  16           HD1      ILE  16  44.073   9.500  -6.493
  129   HD12  ILE  16           HD2      ILE  16  43.252  10.878  -7.261
  130   HD13  ILE  16           HD3      ILE  16  42.306   9.478  -6.699
  131    H    HIS  17           HN       HIS  17  41.572  12.204  -1.039
  132    HA   HIS  17           HA       HIS  17  41.400   9.246  -0.479
  133    HB2  HIS  17           HB2      HIS  17  43.789  10.080  -0.376
  134    HB3  HIS  17           HB1      HIS  17  43.287  11.175   0.932
  135    HD1  HIS  17           HD1      HIS  17  44.226   7.655   0.208
  136    HD2  HIS  17           HD2      HIS  17  42.217   9.713   3.275
  137    HE1  HIS  17           HE1      HIS  17  44.170   6.117   2.247
  138    H    GLY  18           HN       GLY  18  41.099  12.617   0.666
  139    HA2  GLY  18           HA1      GLY  18  39.990  12.162   3.209
  140    HA3  GLY  18           HA2      GLY  18  39.527  13.507   2.138
  141    H    MET  19           HN       MET  19  38.512  12.161   0.037
  142    HA   MET  19           HA       MET  19  36.666  10.238   0.178
  143    HB2  MET  19           HB2      MET  19  35.744  12.444   1.923
  144    HB3  MET  19           HB1      MET  19  34.536  11.869   0.766
  145    HG2  MET  19           HG2      MET  19  34.370   9.759   1.749
  146    HG3  MET  19           HG1      MET  19  36.024   9.793   2.393
  147    HE1  MET  19           HE1      MET  19  34.124   9.496   5.673
  148    HE2  MET  19           HE2      MET  19  35.692   9.192   4.886
  149    HE3  MET  19           HE3      MET  19  34.189   8.612   4.129
  150    H    ILE  20           HN       ILE  20  38.277  12.345  -1.220
  151    HA   ILE  20           HA       ILE  20  38.142  13.427  -3.255
  152    HB   ILE  20           HB       ILE  20  35.761  11.536  -3.666
  153   HG12  ILE  20          HG12      ILE  20  37.319  10.450  -5.265
  154   HG13  ILE  20          HG11      ILE  20  38.570  11.646  -4.855
  155   HG21  ILE  20          HG21      ILE  20  36.925  13.690  -5.465
  156   HG22  ILE  20          HG22      ILE  20  35.219  13.392  -5.049
  157   HG23  ILE  20          HG23      ILE  20  36.077  12.275  -6.134
  158   HD11  ILE  20           HD1      ILE  20  37.276   9.966  -2.678
  159   HD12  ILE  20           HD2      ILE  20  38.859  10.782  -2.672
  160   HD13  ILE  20           HD3      ILE  20  38.617   9.318  -3.650
  161    H    GLN  21           HN       GLN  21  35.992  13.365  -0.722
  162    HA   GLN  21           HA       GLN  21  34.638  15.933  -1.697
  163    HB2  GLN  21           HB2      GLN  21  33.135  13.886  -1.554
  164    HB3  GLN  21           HB1      GLN  21  33.433  13.889   0.200
  165    HG2  GLN  21           HG2      GLN  21  32.498  16.134   0.410
  166    HG3  GLN  21           HG1      GLN  21  32.324  16.267  -1.356
  167   HE21  GLN  21          HE21      GLN  21  30.225  15.889  -2.044
  168   HE22  GLN  21          HE22      GLN  21  29.102  14.772  -1.260
  169    H    ASN  22           HN       ASN  22  36.540  14.337   0.810
  170    HA   ASN  22           HA       ASN  22  35.970  16.654   2.666
  171    HB2  ASN  22           HB2      ASN  22  37.173  13.906   3.157
  172    HB3  ASN  22           HB1      ASN  22  37.086  15.200   4.374
  173   HD21  ASN  22          HD21      ASN  22  35.454  14.527   5.797
  174   HD22  ASN  22          HD22      ASN  22  33.833  14.057   5.273
  175    H    HIS  23           HN       HIS  23  38.488  14.834   0.935
  176    HA   HIS  23           HA       HIS  23  40.749  15.310   0.662
  177    HB2  HIS  23           HB2      HIS  23  39.863  18.213   0.814
  178    HB3  HIS  23           HB1      HIS  23  41.241  17.538  -0.088
  179    HD1  HIS  23           HD1      HIS  23  40.815  16.612  -2.411
  180    HD2  HIS  23           HD2      HIS  23  37.266  17.417  -0.299
  181    HE1  HIS  23           HE1      HIS  23  38.875  16.341  -4.051
  182    H    HIS  24           HN       HIS  24  41.596  18.191   1.740
  183    HA   HIS  24           HA       HIS  24  43.147  17.331   3.903
  184    HB2  HIS  24           HB2      HIS  24  43.261  19.716   4.566
  185    HB3  HIS  24           HB1      HIS  24  43.438  19.511   2.806
  186    HD1  HIS  24           HD1      HIS  24  40.191  18.900   2.570
  187    HD2  HIS  24           HD2      HIS  24  42.122  22.342   4.023
  188    HE1  HIS  24           HE1      HIS  24  38.524  20.830   2.418
  Start of MODEL   68
    1    H1   PHE   1           HT1      PHE   1  55.767   0.039 -10.338
    2    H2   PHE   1           HT2      PHE   1  57.413   0.365 -10.070
    3    H3   PHE   1           HT3      PHE   1  56.239   0.950  -8.988
    4    HA   PHE   1           HA       PHE   1  55.879  -1.782  -9.181
    5    HB2  PHE   1           HB2      PHE   1  58.765  -0.915  -8.755
    6    HB3  PHE   1           HB1      PHE   1  58.124  -2.522  -8.336
    7    HD1  PHE   1           HD1      PHE   1  59.057  -0.239 -11.084
    8    HD2  PHE   1           HD2      PHE   1  57.372  -4.087 -10.092
    9    HE1  PHE   1           HE1      PHE   1  59.357  -0.978 -13.445
   10    HE2  PHE   1           HE2      PHE   1  57.673  -4.827 -12.453
   11    HZ   PHE   1           HZ       PHE   1  58.735  -3.298 -14.111
   12    H    LEU   2           HN       LEU   2  57.488   0.912  -7.471
   13    HA   LEU   2           HA       LEU   2  57.012  -0.158  -4.830
   14    HB2  LEU   2           HB2      LEU   2  57.663   2.598  -5.924
   15    HB3  LEU   2           HB1      LEU   2  57.356   2.344  -4.191
   16    HG   LEU   2           HG       LEU   2  59.178   0.728  -4.048
   17   HD11  LEU   2          HD11      LEU   2  59.270   1.094  -7.068
   18   HD12  LEU   2          HD12      LEU   2  59.118  -0.417  -6.140
   19   HD13  LEU   2          HD13      LEU   2  60.662   0.463  -6.156
   20   HD21  LEU   2          HD21      LEU   2  61.082   2.228  -4.610
   21   HD22  LEU   2          HD22      LEU   2  59.751   3.125  -3.842
   22   HD23  LEU   2          HD23      LEU   2  59.994   3.227  -5.602
   23    H    GLY   3           HN       GLY   3  55.520   0.584  -3.232
   24    HA2  GLY   3           HA1      GLY   3  52.831   0.888  -4.309
   25    HA3  GLY   3           HA2      GLY   3  53.294   0.826  -2.598
   26    H    ALA   4           HN       ALA   4  54.684   3.080  -4.932
   27    HA   ALA   4           HA       ALA   4  54.677   5.398  -4.953
   28    HB1  ALA   4           HB1      ALA   4  51.817   5.116  -3.976
   29    HB2  ALA   4           HB2      ALA   4  52.320   4.918  -5.672
   30    HB3  ALA   4           HB3      ALA   4  52.527   6.488  -4.858
   31    H    LEU   5           HN       LEU   5  55.961   4.490  -2.793
   32    HA   LEU   5           HA       LEU   5  54.845   5.497  -0.298
   33    HB2  LEU   5           HB2      LEU   5  57.781   4.972  -0.875
   34    HB3  LEU   5           HB1      LEU   5  56.924   4.871   0.681
   35    HG   LEU   5           HG       LEU   5  56.459   3.052  -1.726
   36   HD11  LEU   5          HD11      LEU   5  57.716   2.467   0.990
   37   HD12  LEU   5          HD12      LEU   5  58.634   2.725  -0.512
   38   HD13  LEU   5          HD13      LEU   5  57.537   1.332  -0.368
   39   HD21  LEU   5          HD21      LEU   5  54.385   3.205  -0.539
   40   HD22  LEU   5          HD22      LEU   5  55.200   3.238   1.044
   41   HD23  LEU   5          HD23      LEU   5  55.160   1.735   0.091
   42    H    ILE   6           HN       ILE   6  55.461   7.210  -2.894
   43    HA   ILE   6           HA       ILE   6  56.273   9.622  -1.302
   44    HB   ILE   6           HB       ILE   6  57.959  10.289  -3.018
   45   HG12  ILE   6          HG12      ILE   6  57.501   7.478  -4.131
   46   HG13  ILE   6          HG11      ILE   6  57.043   8.997  -4.936
   47   HG21  ILE   6          HG21      ILE   6  58.651   7.504  -2.008
   48   HG22  ILE   6          HG22      ILE   6  58.539   8.915  -0.927
   49   HG23  ILE   6          HG23      ILE   6  59.739   8.894  -2.238
   50   HD11  ILE   6           HD1      ILE   6  59.121   8.431  -5.931
   51   HD12  ILE   6           HD2      ILE   6  59.823   7.909  -4.382
   52   HD13  ILE   6           HD3      ILE   6  59.560   9.642  -4.703
   53    H    LYS   7           HN       LYS   7  56.723  11.014  -4.004
   54    HA   LYS   7           HA       LYS   7  55.282  12.478  -5.109
   55    HB2  LYS   7           HB2      LYS   7  53.633   9.910  -5.241
   56    HB3  LYS   7           HB1      LYS   7  52.998  11.448  -5.871
   57    HG2  LYS   7           HG2      LYS   7  55.020  11.647  -7.332
   58    HG3  LYS   7           HG1      LYS   7  55.566  10.057  -6.750
   59    HD2  LYS   7           HD2      LYS   7  53.614   8.965  -7.679
   60    HD3  LYS   7           HD1      LYS   7  52.862  10.528  -8.073
   61    HE2  LYS   7           HE2      LYS   7  54.755  11.016  -9.630
   62    HE3  LYS   7           HE1      LYS   7  55.430   9.407  -9.278
   63    HZ1  LYS   7           HZ1      LYS   7  53.595   9.999 -11.215
   64    HZ2  LYS   7           HZ2      LYS   7  52.654   9.304  -9.983
   65    HZ3  LYS   7           HZ3      LYS   7  53.969   8.451 -10.636
   66    H    GLY   8           HN       GLY   8  55.627  11.820  -2.507
   67    HA2  GLY   8           HA1      GLY   8  54.908  11.826  -0.404
   68    HA3  GLY   8           HA2      GLY   8  54.379  13.496  -0.840
   69    H    ALA   9           HN       ALA   9  53.424  10.092  -0.706
   70    HA   ALA   9           HA       ALA   9  51.385   9.074  -0.396
   71    HB1  ALA   9           HB1      ALA   9  50.601  11.707   0.899
   72    HB2  ALA   9           HB2      ALA   9  51.517  10.414   1.709
   73    HB3  ALA   9           HB3      ALA   9  49.848  10.117   1.164
   74    H    ILE  10           HN       ILE  10  51.529   9.641  -2.886
   75    HA   ILE  10           HA       ILE  10  50.315  10.024  -4.788
   76    HB   ILE  10           HB       ILE  10  48.187   9.788  -2.705
   77   HG12  ILE  10          HG12      ILE  10  49.101   8.019  -4.364
   78   HG13  ILE  10          HG11      ILE  10  47.344   8.094  -4.118
   79   HG21  ILE  10          HG21      ILE  10  47.604  11.386  -5.224
   80   HG22  ILE  10          HG22      ILE  10  47.210  11.789  -3.534
   81   HG23  ILE  10          HG23      ILE  10  46.349  10.472  -4.357
   82   HD11  ILE  10           HD1      ILE  10  48.677   9.632  -6.380
   83   HD12  ILE  10           HD2      ILE  10  46.975   9.148  -6.215
   84   HD13  ILE  10           HD3      ILE  10  48.219   7.925  -6.562
   85    H    HIS  11           HN       HIS  11  48.888  12.379  -2.457
   86    HA   HIS  11           HA       HIS  11  50.158  14.590  -3.998
   87    HB2  HIS  11           HB2      HIS  11  47.937  14.240  -5.058
   88    HB3  HIS  11           HB1      HIS  11  47.161  14.418  -3.466
   89    HD1  HIS  11           HD1      HIS  11  49.174  16.370  -6.050
   90    HD2  HIS  11           HD2      HIS  11  46.933  17.075  -2.561
   91    HE1  HIS  11           HE1      HIS  11  48.878  18.898  -5.834
   92    H    GLY  12           HN       GLY  12  49.414  13.042  -1.181
   93    HA2  GLY  12           HA1      GLY  12  50.495  14.158   0.811
   94    HA3  GLY  12           HA2      GLY  12  49.524  15.594   0.433
   95    H    GLY  13           HN       GLY  13  48.303  12.302   0.079
   96    HA2  GLY  13           HA1      GLY  13  46.560  11.231   1.161
   97    HA3  GLY  13           HA2      GLY  13  47.175  11.970   2.652
   98    H    ARG  14           HN       ARG  14  45.114  12.529  -0.196
   99    HA   ARG  14           HA       ARG  14  43.050  13.725   1.441
  100    HB2  ARG  14           HB2      ARG  14  44.977  15.545   1.066
  101    HB3  ARG  14           HB1      ARG  14  44.202  15.728  -0.521
  102    HG2  ARG  14           HG2      ARG  14  42.852  16.018   2.206
  103    HG3  ARG  14           HG1      ARG  14  43.245  17.333   1.076
  104    HD2  ARG  14           HD2      ARG  14  41.775  15.967  -0.635
  105    HD3  ARG  14           HD1      ARG  14  41.126  15.184   0.829
  106    HE   ARG  14           HE       ARG  14  41.027  17.964   1.300
  107   HH11  ARG  14          HH11      ARG  14  40.386  17.887  -1.681
  108   HH12  ARG  14          HH12      ARG  14  38.659  17.771  -1.648
  109   HH21  ARG  14          HH21      ARG  14  38.519  16.846   1.691
  110   HH22  ARG  14          HH22      ARG  14  37.601  17.182   0.261
  111    H    PHE  15           HN       PHE  15  44.524  13.560  -1.813
  112    HA   PHE  15           HA       PHE  15  42.252  13.919  -3.395
  113    HB2  PHE  15           HB2      PHE  15  44.577  13.602  -4.240
  114    HB3  PHE  15           HB1      PHE  15  44.442  11.866  -3.882
  115    HD1  PHE  15           HD1      PHE  15  43.408  14.597  -6.122
  116    HD2  PHE  15           HD2      PHE  15  42.812  10.441  -5.118
  117    HE1  PHE  15           HE1      PHE  15  42.254  14.236  -8.301
  118    HE2  PHE  15           HE2      PHE  15  41.659  10.080  -7.298
  119    HZ   PHE  15           HZ       PHE  15  41.451  11.960  -8.920
  120    H    ILE  16           HN       ILE  16  43.324  10.915  -1.738
  121    HA   ILE  16           HA       ILE  16  41.212   9.295  -2.856
  122    HB   ILE  16           HB       ILE  16  42.826   8.974  -0.278
  123   HG12  ILE  16          HG12      ILE  16  43.904   7.128  -1.599
  124   HG13  ILE  16          HG11      ILE  16  42.928   7.599  -3.009
  125   HG21  ILE  16          HG21      ILE  16  40.689   7.218  -1.560
  126   HG22  ILE  16          HG22      ILE  16  40.796   7.772   0.128
  127   HG23  ILE  16          HG23      ILE  16  41.926   6.540  -0.476
  128   HD11  ILE  16           HD1      ILE  16  45.391   8.525  -2.760
  129   HD12  ILE  16           HD2      ILE  16  44.654   9.672  -1.617
  130   HD13  ILE  16           HD3      ILE  16  44.102   9.615  -3.309
  131    H    HIS  17           HN       HIS  17  41.485  10.047   0.645
  132    HA   HIS  17           HA       HIS  17  38.961  11.473   0.718
  133    HB2  HIS  17           HB2      HIS  17  38.148   9.146   0.238
  134    HB3  HIS  17           HB1      HIS  17  38.903   8.615   1.761
  135    HD1  HIS  17           HD1      HIS  17  36.917  11.825   1.039
  136    HD2  HIS  17           HD2      HIS  17  36.685   8.364   3.418
  137    HE1  HIS  17           HE1      HIS  17  34.927  12.115   2.615
  138    H    GLY  18           HN       GLY  18  41.209  12.373   1.737
  139    HA2  GLY  18           HA1      GLY  18  41.890  13.316   3.767
  140    HA3  GLY  18           HA2      GLY  18  40.689  12.354   4.616
  141    H    MET  19           HN       MET  19  43.670  12.016   2.792
  142    HA   MET  19           HA       MET  19  45.274  10.416   3.086
  143    HB2  MET  19           HB2      MET  19  45.815  12.328   4.600
  144    HB3  MET  19           HB1      MET  19  45.190  11.308   5.913
  145    HG2  MET  19           HG2      MET  19  47.029   9.861   5.847
  146    HG3  MET  19           HG1      MET  19  47.322  10.122   4.116
  147    HE1  MET  19           HE1      MET  19  49.658   9.846   5.391
  148    HE2  MET  19           HE2      MET  19  50.665  11.313   5.394
  149    HE3  MET  19           HE3      MET  19  49.832  10.807   3.904
  150    H    ILE  20           HN       ILE  20  42.508   9.394   3.716
  151    HA   ILE  20           HA       ILE  20  41.659   7.407   4.557
  152    HB   ILE  20           HB       ILE  20  44.583   6.497   4.318
  153   HG12  ILE  20          HG12      ILE  20  43.669   5.234   2.349
  154   HG13  ILE  20          HG11      ILE  20  42.094   6.019   2.609
  155   HG21  ILE  20          HG21      ILE  20  43.651   5.046   5.950
  156   HG22  ILE  20          HG22      ILE  20  43.432   4.165   4.423
  157   HG23  ILE  20          HG23      ILE  20  42.059   5.027   5.157
  158   HD11  ILE  20           HD1      ILE  20  44.586   7.723   2.295
  159   HD12  ILE  20           HD2      ILE  20  42.891   8.135   1.941
  160   HD13  ILE  20           HD3      ILE  20  43.789   7.048   0.859
  161    H    GLN  21           HN       GLN  21  43.878   9.465   5.943
  162    HA   GLN  21           HA       GLN  21  43.401   8.307   8.720
  163    HB2  GLN  21           HB2      GLN  21  45.799   8.166   7.834
  164    HB3  GLN  21           HB1      GLN  21  45.817   9.944   7.873
  165    HG2  GLN  21           HG2      GLN  21  45.113   9.803  10.312
  166    HG3  GLN  21           HG1      GLN  21  45.390   8.047  10.217
  167   HE21  GLN  21          HE21      GLN  21  47.442   7.417  10.866
  168   HE22  GLN  21          HE22      GLN  21  48.884   8.431  10.739
  169    H    ASN  22           HN       ASN  22  43.480  11.190   6.570
  170    HA   ASN  22           HA       ASN  22  42.909  12.958   8.890
  171    HB2  ASN  22           HB2      ASN  22  42.918  13.480   5.881
  172    HB3  ASN  22           HB1      ASN  22  42.698  14.713   7.142
  173   HD21  ASN  22          HD21      ASN  22  44.652  13.500   9.030
  174   HD22  ASN  22          HD22      ASN  22  46.244  13.799   8.324
  175    H    HIS  23           HN       HIS  23  41.469  11.165   6.266
  176    HA   HIS  23           HA       HIS  23  39.227  10.674   5.819
  177    HB2  HIS  23           HB2      HIS  23  39.292   9.991   8.243
  178    HB3  HIS  23           HB1      HIS  23  38.659  11.601   8.659
  179    HD1  HIS  23           HD1      HIS  23  37.683   9.134   5.866
  180    HD2  HIS  23           HD2      HIS  23  35.973  11.169   9.123
  181    HE1  HIS  23           HE1      HIS  23  35.173   8.661   5.826
  182    H    HIS  24           HN       HIS  24  40.338  13.722   6.218
  183    HA   HIS  24           HA       HIS  24  37.824  15.204   6.260
  184    HB2  HIS  24           HB2      HIS  24  40.641  16.006   5.434
  185    HB3  HIS  24           HB1      HIS  24  39.270  17.129   5.603
  186    HD1  HIS  24           HD1      HIS  24  42.086  16.597   7.418
  187    HD2  HIS  24           HD2      HIS  24  38.049  16.055   8.467
  188    HE1  HIS  24           HE1      HIS  24  41.946  16.669   9.968
  Start of MODEL   69
    1    H1   PHE   1           HT1      PHE   1  53.146   4.330  -8.010
    2    H2   PHE   1           HT2      PHE   1  51.807   4.467  -6.973
    3    H3   PHE   1           HT3      PHE   1  51.700   3.530  -8.386
    4    HA   PHE   1           HA       PHE   1  52.724   2.875  -5.803
    5    HB2  PHE   1           HB2      PHE   1  52.076   1.115  -8.193
    6    HB3  PHE   1           HB1      PHE   1  52.088   0.659  -6.473
    7    HD1  PHE   1           HD1      PHE   1  50.278   1.334  -4.969
    8    HD2  PHE   1           HD2      PHE   1  50.268   2.509  -9.122
    9    HE1  PHE   1           HE1      PHE   1  47.890   2.015  -4.769
   10    HE2  PHE   1           HE2      PHE   1  47.880   3.190  -8.923
   11    HZ   PHE   1           HZ       PHE   1  46.677   2.895  -6.759
   12    H    LEU   2           HN       LEU   2  54.834   4.132  -6.526
   13    HA   LEU   2           HA       LEU   2  56.641   2.559  -8.222
   14    HB2  LEU   2           HB2      LEU   2  56.937   5.024  -6.476
   15    HB3  LEU   2           HB1      LEU   2  58.346   4.259  -7.235
   16    HG   LEU   2           HG       LEU   2  57.274   6.202  -8.518
   17   HD11  LEU   2          HD11      LEU   2  57.768   5.273 -10.635
   18   HD12  LEU   2          HD12      LEU   2  57.219   3.650 -10.172
   19   HD13  LEU   2          HD13      LEU   2  58.739   4.294  -9.516
   20   HD21  LEU   2          HD21      LEU   2  54.905   5.433  -8.019
   21   HD22  LEU   2          HD22      LEU   2  55.143   4.135  -9.214
   22   HD23  LEU   2          HD23      LEU   2  55.220   5.837  -9.721
   23    H    GLY   3           HN       GLY   3  55.356   1.521  -5.599
   24    HA2  GLY   3           HA1      GLY   3  56.018   0.125  -3.878
   25    HA3  GLY   3           HA2      GLY   3  57.470  -0.201  -4.845
   26    H    ALA   4           HN       ALA   4  56.298   2.802  -3.284
   27    HA   ALA   4           HA       ALA   4  58.311   2.652  -1.178
   28    HB1  ALA   4           HB1      ALA   4  59.706   3.271  -3.155
   29    HB2  ALA   4           HB2      ALA   4  59.684   4.522  -1.887
   30    HB3  ALA   4           HB3      ALA   4  58.704   4.729  -3.359
   31    H    LEU   5           HN       LEU   5  55.539   3.848  -2.682
   32    HA   LEU   5           HA       LEU   5  53.949   5.422  -2.054
   33    HB2  LEU   5           HB2      LEU   5  55.160   4.602   0.609
   34    HB3  LEU   5           HB1      LEU   5  53.810   5.759   0.520
   35    HG   LEU   5           HG       LEU   5  52.413   4.120  -0.630
   36   HD11  LEU   5          HD11      LEU   5  53.374   1.712  -0.811
   37   HD12  LEU   5          HD12      LEU   5  54.974   2.477  -0.646
   38   HD13  LEU   5          HD13      LEU   5  53.917   2.902  -2.014
   39   HD21  LEU   5          HD21      LEU   5  53.835   2.814   1.734
   40   HD22  LEU   5          HD22      LEU   5  52.179   2.478   1.176
   41   HD23  LEU   5          HD23      LEU   5  52.578   4.066   1.874
   42    H    ILE   6           HN       ILE   6  54.839   7.182  -3.180
   43    HA   ILE   6           HA       ILE   6  55.774   9.368  -1.364
   44    HB   ILE   6           HB       ILE   6  57.704   9.938  -2.840
   45   HG12  ILE   6          HG12      ILE   6  57.004   7.306  -4.226
   46   HG13  ILE   6          HG11      ILE   6  56.906   8.929  -4.943
   47   HG21  ILE   6          HG21      ILE   6  57.913   8.384  -0.820
   48   HG22  ILE   6          HG22      ILE   6  59.223   8.277  -2.015
   49   HG23  ILE   6          HG23      ILE   6  57.953   7.032  -1.976
   50   HD11  ILE   6           HD1      ILE   6  59.377   7.344  -4.175
   51   HD12  ILE   6           HD2      ILE   6  59.446   9.115  -4.350
   52   HD13  ILE   6           HD3      ILE   6  58.978   8.099  -5.734
   53    H    LYS   7           HN       LYS   7  56.671  10.884  -3.860
   54    HA   LYS   7           HA       LYS   7  55.536  12.574  -4.994
   55    HB2  LYS   7           HB2      LYS   7  53.690  10.207  -5.548
   56    HB3  LYS   7           HB1      LYS   7  53.244  11.850  -6.068
   57    HG2  LYS   7           HG2      LYS   7  55.207  12.036  -7.458
   58    HG3  LYS   7           HG1      LYS   7  55.909  10.555  -6.768
   59    HD2  LYS   7           HD2      LYS   7  54.976  10.015  -8.952
   60    HD3  LYS   7           HD1      LYS   7  53.963   9.257  -7.702
   61    HE2  LYS   7           HE2      LYS   7  52.233  10.871  -7.963
   62    HE3  LYS   7           HE1      LYS   7  53.297  12.002  -8.836
   63    HZ1  LYS   7           HZ1      LYS   7  53.243   9.517 -10.176
   64    HZ2  LYS   7           HZ2      LYS   7  52.736  11.041 -10.734
   65    HZ3  LYS   7           HZ3      LYS   7  51.648  10.030  -9.908
   66    H    GLY   8           HN       GLY   8  55.498  11.693  -2.437
   67    HA2  GLY   8           HA1      GLY   8  54.549  11.639  -0.431
   68    HA3  GLY   8           HA2      GLY   8  54.235  13.380  -0.790
   69    H    ALA   9           HN       ALA   9  52.961  10.109  -0.774
   70    HA   ALA   9           HA       ALA   9  50.814   9.285  -0.727
   71    HB1  ALA   9           HB1      ALA   9  50.162  12.032   0.399
   72    HB2  ALA   9           HB2      ALA   9  50.748  10.641   1.342
   73    HB3  ALA   9           HB3      ALA   9  49.159  10.570   0.542
   74    H    ILE  10           HN       ILE  10  51.702  10.429  -3.172
   75    HA   ILE  10           HA       ILE  10  50.796  10.820  -5.249
   76    HB   ILE  10           HB       ILE  10  48.537   9.774  -3.835
   77   HG12  ILE  10          HG12      ILE  10  47.602   9.506  -6.248
   78   HG13  ILE  10          HG11      ILE  10  49.094  10.316  -6.779
   79   HG21  ILE  10          HG21      ILE  10  47.620  12.110  -3.707
   80   HG22  ILE  10          HG22      ILE  10  46.605  11.000  -4.653
   81   HG23  ILE  10          HG23      ILE  10  47.646  12.176  -5.486
   82   HD11  ILE  10           HD1      ILE  10  49.621   8.002  -6.874
   83   HD12  ILE  10           HD2      ILE  10  48.783   7.657  -5.345
   84   HD13  ILE  10           HD3      ILE  10  50.333   8.529  -5.331
   85    H    HIS  11           HN       HIS  11  49.546  12.767  -2.570
   86    HA   HIS  11           HA       HIS  11  50.536  15.215  -3.702
   87    HB2  HIS  11           HB2      HIS  11  48.632  14.952  -5.261
   88    HB3  HIS  11           HB1      HIS  11  47.520  14.795  -3.881
   89    HD1  HIS  11           HD1      HIS  11  50.431  17.254  -4.040
   90    HD2  HIS  11           HD2      HIS  11  46.227  17.268  -4.086
   91    HE1  HIS  11           HE1      HIS  11  49.676  19.692  -3.923
   92    H    GLY  12           HN       GLY  12  49.117  13.248  -1.390
   93    HA2  GLY  12           HA1      GLY  12  49.785  14.340   0.925
   94    HA3  GLY  12           HA2      GLY  12  48.476  15.465   0.502
   95    H    GLY  13           HN       GLY  13  47.891  12.471  -0.877
   96    HA2  GLY  13           HA1      GLY  13  46.481  10.723  -0.338
   97    HA3  GLY  13           HA2      GLY  13  46.795  11.051   1.380
   98    H    ARG  14           HN       ARG  14  45.092  12.483  -1.430
   99    HA   ARG  14           HA       ARG  14  42.564  12.478  -0.009
  100    HB2  ARG  14           HB2      ARG  14  44.107  14.516   0.864
  101    HB3  ARG  14           HB1      ARG  14  43.466  15.302  -0.592
  102    HG2  ARG  14           HG2      ARG  14  41.853  14.090   1.700
  103    HG3  ARG  14           HG1      ARG  14  42.007  15.814   1.300
  104    HD2  ARG  14           HD2      ARG  14  41.040  15.123  -1.039
  105    HD3  ARG  14           HD1      ARG  14  40.509  13.645  -0.198
  106    HE   ARG  14           HE       ARG  14  38.835  14.944   0.824
  107   HH11  ARG  14          HH11      ARG  14  40.587  16.958  -1.192
  108   HH12  ARG  14          HH12      ARG  14  40.208  18.427  -0.356
  109   HH21  ARG  14          HH21      ARG  14  38.705  16.824   2.327
  110   HH22  ARG  14          HH22      ARG  14  39.143  18.351   1.638
  111    H    PHE  15           HN       PHE  15  44.631  13.636  -2.640
  112    HA   PHE  15           HA       PHE  15  42.848  14.679  -4.470
  113    HB2  PHE  15           HB2      PHE  15  45.323  14.247  -4.799
  114    HB3  PHE  15           HB1      PHE  15  44.908  12.565  -5.201
  115    HD1  PHE  15           HD1      PHE  15  43.991  11.991  -7.353
  116    HD2  PHE  15           HD2      PHE  15  44.372  16.132  -6.195
  117    HE1  PHE  15           HE1      PHE  15  43.446  12.692  -9.681
  118    HE2  PHE  15           HE2      PHE  15  43.828  16.832  -8.522
  119    HZ   PHE  15           HZ       PHE  15  43.390  15.112 -10.271
  120    H    ILE  16           HN       ILE  16  43.470  11.169  -3.968
  121    HA   ILE  16           HA       ILE  16  41.199  10.500  -5.748
  122    HB   ILE  16           HB       ILE  16  42.764   8.528  -4.029
  123   HG12  ILE  16          HG12      ILE  16  43.520   9.709  -6.745
  124   HG13  ILE  16          HG11      ILE  16  44.407   9.935  -5.220
  125   HG21  ILE  16          HG21      ILE  16  40.672   7.838  -5.292
  126   HG22  ILE  16          HG22      ILE  16  42.140   6.965  -5.787
  127   HG23  ILE  16          HG23      ILE  16  41.506   8.283  -6.798
  128   HD11  ILE  16           HD1      ILE  16  44.147   7.435  -6.918
  129   HD12  ILE  16           HD2      ILE  16  44.518   7.302  -5.181
  130   HD13  ILE  16           HD3      ILE  16  45.613   8.196  -6.261
  131    H    HIS  17           HN       HIS  17  42.007   9.146  -2.491
  132    HA   HIS  17           HA       HIS  17  39.625  10.190  -1.241
  133    HB2  HIS  17           HB2      HIS  17  38.577   8.544  -2.850
  134    HB3  HIS  17           HB1      HIS  17  39.480   7.251  -2.028
  135    HD1  HIS  17           HD1      HIS  17  37.157  10.157  -1.015
  136    HD2  HIS  17           HD2      HIS  17  38.060   6.198   0.085
  137    HE1  HIS  17           HE1      HIS  17  35.551   9.502   0.863
  138    H    GLY  18           HN       GLY  18  41.709  10.553  -0.002
  139    HA2  GLY  18           HA1      GLY  18  42.959  10.028   1.897
  140    HA3  GLY  18           HA2      GLY  18  41.778   8.760   2.219
  141    H    MET  19           HN       MET  19  44.064   9.418  -0.356
  142    HA   MET  19           HA       MET  19  45.338   7.888  -1.442
  143    HB2  MET  19           HB2      MET  19  46.488   8.705   0.868
  144    HB3  MET  19           HB1      MET  19  46.684   6.950   0.974
  145    HG2  MET  19           HG2      MET  19  47.607   8.725  -1.338
  146    HG3  MET  19           HG1      MET  19  48.655   8.004  -0.093
  147    HE1  MET  19           HE1      MET  19  49.760   7.505  -2.564
  148    HE2  MET  19           HE2      MET  19  49.856   5.750  -2.842
  149    HE3  MET  19           HE3      MET  19  50.224   6.417  -1.233
  150    H    ILE  20           HN       ILE  20  42.817   6.756  -0.358
  151    HA   ILE  20           HA       ILE  20  41.904   4.632  -0.144
  152    HB   ILE  20           HB       ILE  20  44.253   4.045  -2.010
  153   HG12  ILE  20          HG12      ILE  20  42.517   3.792  -3.674
  154   HG13  ILE  20          HG11      ILE  20  41.243   3.794  -2.433
  155   HG21  ILE  20          HG21      ILE  20  43.057   1.762  -2.320
  156   HG22  ILE  20          HG22      ILE  20  42.290   2.095  -0.748
  157   HG23  ILE  20          HG23      ILE  20  44.061   1.962  -0.867
  158   HD11  ILE  20           HD1      ILE  20  43.113   6.163  -2.846
  159   HD12  ILE  20           HD2      ILE  20  41.570   6.123  -1.956
  160   HD13  ILE  20           HD3      ILE  20  41.579   5.993  -3.729
  161    H    GLN  21           HN       GLN  21  44.755   5.777   1.054
  162    HA   GLN  21           HA       GLN  21  44.899   3.547   3.104
  163    HB2  GLN  21           HB2      GLN  21  47.259   4.752   1.609
  164    HB3  GLN  21           HB1      GLN  21  47.385   3.697   3.036
  165    HG2  GLN  21           HG2      GLN  21  46.102   1.936   1.793
  166    HG3  GLN  21           HG1      GLN  21  46.127   2.982   0.353
  167   HE21  GLN  21          HE21      GLN  21  47.342   0.748  -0.300
  168   HE22  GLN  21          HE22      GLN  21  49.099   0.834  -0.146
  169    H    ASN  22           HN       ASN  22  45.051   6.991   2.272
  170    HA   ASN  22           HA       ASN  22  46.165   7.655   4.950
  171    HB2  ASN  22           HB2      ASN  22  46.803   9.139   3.140
  172    HB3  ASN  22           HB1      ASN  22  45.104   9.376   2.666
  173   HD21  ASN  22          HD21      ASN  22  47.312   9.806   5.518
  174   HD22  ASN  22          HD22      ASN  22  46.489  11.255   6.107
  175    H    HIS  23           HN       HIS  23  43.167   7.617   3.069
  176    HA   HIS  23           HA       HIS  23  40.955   7.437   3.886
  177    HB2  HIS  23           HB2      HIS  23  41.845   7.663   6.774
  178    HB3  HIS  23           HB1      HIS  23  40.479   6.766   6.079
  179    HD1  HIS  23           HD1      HIS  23  41.193   4.678   4.441
  180    HD2  HIS  23           HD2      HIS  23  44.101   6.093   7.133
  181    HE1  HIS  23           HE1      HIS  23  42.977   2.862   4.659
  182    H    HIS  24           HN       HIS  24  39.703   8.689   6.071
  183    HA   HIS  24           HA       HIS  24  39.432  11.351   5.055
  184    HB2  HIS  24           HB2      HIS  24  38.054  11.745   7.066
  185    HB3  HIS  24           HB1      HIS  24  37.654  10.185   6.307
  186    HD1  HIS  24           HD1      HIS  24  39.794  11.606   9.161
  187    HD2  HIS  24           HD2      HIS  24  38.023   7.982   7.975
  188    HE1  HIS  24           HE1      HIS  24  40.068   9.957  11.092
  Start of MODEL   70
    1    H1   PHE   1           HT1      PHE   1  57.551   8.088   8.032
    2    H2   PHE   1           HT2      PHE   1  57.553   7.106   9.418
    3    H3   PHE   1           HT3      PHE   1  56.084   7.555   8.692
    4    HA   PHE   1           HA       PHE   1  58.172   5.842   7.504
    5    HB2  PHE   1           HB2      PHE   1  55.360   5.152   8.443
    6    HB3  PHE   1           HB1      PHE   1  56.583   4.031   7.797
    7    HD1  PHE   1           HD1      PHE   1  58.638   3.510   9.099
    8    HD2  PHE   1           HD2      PHE   1  55.500   5.991  10.722
    9    HE1  PHE   1           HE1      PHE   1  59.592   3.225  11.383
   10    HE2  PHE   1           HE2      PHE   1  56.454   5.705  13.005
   11    HZ   PHE   1           HZ       PHE   1  58.536   4.373  13.326
   12    H    LEU   2           HN       LEU   2  58.165   7.263   5.651
   13    HA   LEU   2           HA       LEU   2  55.664   7.678   4.183
   14    HB2  LEU   2           HB2      LEU   2  58.479   7.971   3.084
   15    HB3  LEU   2           HB1      LEU   2  57.001   8.827   2.585
   16    HG   LEU   2           HG       LEU   2  58.407   9.103   5.281
   17   HD11  LEU   2          HD11      LEU   2  58.139  10.995   2.904
   18   HD12  LEU   2          HD12      LEU   2  59.628  10.172   3.426
   19   HD13  LEU   2          HD13      LEU   2  58.881  11.408   4.468
   20   HD21  LEU   2          HD21      LEU   2  55.853  10.296   4.123
   21   HD22  LEU   2          HD22      LEU   2  56.742  11.080   5.451
   22   HD23  LEU   2          HD23      LEU   2  56.070   9.449   5.673
   23    H    GLY   3           HN       GLY   3  55.891   4.971   4.729
   24    HA2  GLY   3           HA1      GLY   3  57.178   3.343   2.864
   25    HA3  GLY   3           HA2      GLY   3  55.605   2.971   3.596
   26    H    ALA   4           HN       ALA   4  54.345   5.385   2.422
   27    HA   ALA   4           HA       ALA   4  53.234   4.228   0.107
   28    HB1  ALA   4           HB1      ALA   4  52.496   6.556  -0.444
   29    HB2  ALA   4           HB2      ALA   4  53.538   7.151   0.871
   30    HB3  ALA   4           HB3      ALA   4  52.165   6.078   1.237
   31    H    LEU   5           HN       LEU   5  53.329   5.140  -2.147
   32    HA   LEU   5           HA       LEU   5  56.105   4.984  -3.064
   33    HB2  LEU   5           HB2      LEU   5  53.997   4.021  -4.213
   34    HB3  LEU   5           HB1      LEU   5  53.671   5.685  -4.740
   35    HG   LEU   5           HG       LEU   5  56.201   5.613  -5.587
   36   HD11  LEU   5          HD11      LEU   5  56.820   3.438  -4.653
   37   HD12  LEU   5          HD12      LEU   5  56.784   3.312  -6.424
   38   HD13  LEU   5          HD13      LEU   5  55.441   2.657  -5.460
   39   HD21  LEU   5          HD21      LEU   5  53.963   4.091  -6.998
   40   HD22  LEU   5          HD22      LEU   5  55.418   4.755  -7.779
   41   HD23  LEU   5          HD23      LEU   5  54.219   5.850  -7.052
   42    H    ILE   6           HN       ILE   6  55.902   7.175  -1.392
   43    HA   ILE   6           HA       ILE   6  56.166   9.515  -1.291
   44    HB   ILE   6           HB       ILE   6  57.423   9.391  -4.080
   45   HG12  ILE   6          HG12      ILE   6  58.567   8.119  -1.551
   46   HG13  ILE   6          HG11      ILE   6  58.109   7.269  -3.045
   47   HG21  ILE   6          HG21      ILE   6  58.555  10.558  -1.506
   48   HG22  ILE   6          HG22      ILE   6  57.350  11.445  -2.467
   49   HG23  ILE   6          HG23      ILE   6  58.915  11.010  -3.189
   50   HD11  ILE   6           HD1      ILE   6  59.787   8.819  -4.250
   51   HD12  ILE   6           HD2      ILE   6  60.472   7.557  -3.197
   52   HD13  ILE   6           HD3      ILE   6  60.385   9.240  -2.626
   53    H    LYS   7           HN       LYS   7  56.469  11.043  -4.012
   54    HA   LYS   7           HA       LYS   7  54.976  12.586  -4.928
   55    HB2  LYS   7           HB2      LYS   7  53.119  10.149  -4.937
   56    HB3  LYS   7           HB1      LYS   7  52.707  11.710  -5.685
   57    HG2  LYS   7           HG2      LYS   7  54.792  11.516  -7.090
   58    HG3  LYS   7           HG1      LYS   7  55.027   9.880  -6.431
   59    HD2  LYS   7           HD2      LYS   7  52.902   9.136  -7.354
   60    HD3  LYS   7           HD1      LYS   7  52.501  10.792  -7.871
   61    HE2  LYS   7           HE2      LYS   7  54.905   9.198  -8.865
   62    HE3  LYS   7           HE1      LYS   7  53.371   9.379  -9.750
   63    HZ1  LYS   7           HZ1      LYS   7  54.088  11.314 -10.514
   64    HZ2  LYS   7           HZ2      LYS   7  55.552  11.142  -9.668
   65    HZ3  LYS   7           HZ3      LYS   7  54.230  11.920  -8.937
   66    H    GLY   8           HN       GLY   8  55.517  11.819  -2.391
   67    HA2  GLY   8           HA1      GLY   8  54.977  11.752  -0.237
   68    HA3  GLY   8           HA2      GLY   8  54.465  13.454  -0.560
   69    H    ALA   9           HN       ALA   9  53.517  10.141  -0.061
   70    HA   ALA   9           HA       ALA   9  51.531   9.176   0.556
   71    HB1  ALA   9           HB1      ALA   9  51.630  11.091   2.235
   72    HB2  ALA   9           HB2      ALA   9  50.014  10.421   1.909
   73    HB3  ALA   9           HB3      ALA   9  50.504  11.964   1.169
   74    H    ILE  10           HN       ILE  10  51.804   9.398  -2.078
   75    HA   ILE  10           HA       ILE  10  50.549   9.170  -3.985
   76    HB   ILE  10           HB       ILE  10  48.554   8.876  -1.966
   77   HG12  ILE  10          HG12      ILE  10  48.262   8.507  -4.984
   78   HG13  ILE  10          HG11      ILE  10  49.045   7.350  -3.884
   79   HG21  ILE  10          HG21      ILE  10  47.771  11.210  -2.500
   80   HG22  ILE  10          HG22      ILE  10  46.552   9.964  -2.817
   81   HG23  ILE  10          HG23      ILE  10  47.465  10.677  -4.167
   82   HD11  ILE  10           HD1      ILE  10  46.873   6.466  -4.018
   83   HD12  ILE  10           HD2      ILE  10  46.112   8.069  -4.124
   84   HD13  ILE  10           HD3      ILE  10  46.740   7.482  -2.564
   85    H    HIS  11           HN       HIS  11  49.813  12.037  -2.005
   86    HA   HIS  11           HA       HIS  11  50.707  13.820  -4.088
   87    HB2  HIS  11           HB2      HIS  11  48.522  13.170  -5.092
   88    HB3  HIS  11           HB1      HIS  11  47.698  13.727  -3.615
   89    HD1  HIS  11           HD1      HIS  11  47.217  16.196  -3.388
   90    HD2  HIS  11           HD2      HIS  11  49.810  15.325  -6.580
   91    HE1  HIS  11           HE1      HIS  11  47.586  18.367  -4.683
   92    H    GLY  12           HN       GLY  12  49.800  12.967  -1.002
   93    HA2  GLY  12           HA1      GLY  12  50.784  14.509   0.734
   94    HA3  GLY  12           HA2      GLY  12  49.869  15.823  -0.032
   95    H    GLY  13           HN       GLY  13  48.705  12.506   0.397
   96    HA2  GLY  13           HA1      GLY  13  46.889  11.700   1.578
   97    HA3  GLY  13           HA2      GLY  13  47.328  12.860   2.848
   98    H    ARG  14           HN       ARG  14  45.755  12.701  -0.373
   99    HA   ARG  14           HA       ARG  14  43.460  14.226   0.685
  100    HB2  ARG  14           HB2      ARG  14  45.333  15.902  -0.022
  101    HB3  ARG  14           HB1      ARG  14  44.931  15.432  -1.688
  102    HG2  ARG  14           HG2      ARG  14  42.932  16.507   0.361
  103    HG3  ARG  14           HG1      ARG  14  43.684  17.468  -0.930
  104    HD2  ARG  14           HD2      ARG  14  42.720  15.571  -2.520
  105    HD3  ARG  14           HD1      ARG  14  41.621  15.266  -1.151
  106    HE   ARG  14           HE       ARG  14  41.618  18.064  -1.654
  107   HH11  ARG  14          HH11      ARG  14  40.026  15.166  -2.308
  108   HH12  ARG  14          HH12      ARG  14  39.052  15.795  -3.595
  109   HH21  ARG  14          HH21      ARG  14  40.674  18.858  -3.682
  110   HH22  ARG  14          HH22      ARG  14  39.418  17.886  -4.372
  111    H    PHE  15           HN       PHE  15  45.048  13.481  -2.471
  112    HA   PHE  15           HA       PHE  15  42.634  12.978  -3.876
  113    HB2  PHE  15           HB2      PHE  15  44.930  13.221  -4.881
  114    HB3  PHE  15           HB1      PHE  15  45.299  11.578  -4.309
  115    HD1  PHE  15           HD1      PHE  15  42.898  13.546  -6.420
  116    HD2  PHE  15           HD2      PHE  15  44.596   9.671  -5.560
  117    HE1  PHE  15           HE1      PHE  15  41.772  12.604  -8.434
  118    HE2  PHE  15           HE2      PHE  15  43.469   8.730  -7.573
  119    HZ   PHE  15           HZ       PHE  15  42.063  10.198  -9.013
  120    H    ILE  16           HN       ILE  16  41.168  11.821  -2.660
  121    HA   ILE  16           HA       ILE  16  40.314  10.003  -1.473
  122    HB   ILE  16           HB       ILE  16  39.685   9.426  -3.705
  123   HG12  ILE  16          HG12      ILE  16  40.898   6.772  -2.873
  124   HG13  ILE  16          HG11      ILE  16  39.777   7.565  -1.746
  125   HG21  ILE  16          HG21      ILE  16  41.755   9.688  -4.903
  126   HG22  ILE  16          HG22      ILE  16  41.205   8.020  -5.168
  127   HG23  ILE  16          HG23      ILE  16  42.516   8.348  -4.017
  128   HD11  ILE  16           HD1      ILE  16  39.195   6.878  -4.663
  129   HD12  ILE  16           HD2      ILE  16  38.072   7.697  -3.551
  130   HD13  ILE  16           HD3      ILE  16  38.570   6.018  -3.238
  131    H    HIS  17           HN       HIS  17  42.071  10.331   0.137
  132    HA   HIS  17           HA       HIS  17  43.113   7.755   0.905
  133    HB2  HIS  17           HB2      HIS  17  44.783   8.288  -0.862
  134    HB3  HIS  17           HB1      HIS  17  45.177   9.801  -0.011
  135    HD1  HIS  17           HD1      HIS  17  46.523   9.656   2.194
  136    HD2  HIS  17           HD2      HIS  17  45.622   5.904   0.526
  137    HE1  HIS  17           HE1      HIS  17  47.950   7.921   3.408
  138    H    GLY  18           HN       GLY  18  42.621  11.142   1.223
  139    HA2  GLY  18           HA1      GLY  18  42.701  10.923   4.143
  140    HA3  GLY  18           HA2      GLY  18  43.968  11.967   3.467
  141    H    MET  19           HN       MET  19  40.536  11.352   2.689
  142    HA   MET  19           HA       MET  19  39.515  13.898   3.572
  143    HB2  MET  19           HB2      MET  19  40.929  14.615   1.726
  144    HB3  MET  19           HB1      MET  19  40.021  13.545   0.667
  145    HG2  MET  19           HG2      MET  19  37.960  14.812   1.083
  146    HG3  MET  19           HG1      MET  19  38.802  15.828   2.273
  147    HE1  MET  19           HE1      MET  19  38.095  18.286  -0.605
  148    HE2  MET  19           HE2      MET  19  37.577  17.603   0.954
  149    HE3  MET  19           HE3      MET  19  37.133  16.789  -0.565
  150    H    ILE  20           HN       ILE  20  39.189  11.829   0.653
  151    HA   ILE  20           HA       ILE  20  36.309  11.500   1.084
  152    HB   ILE  20           HB       ILE  20  38.201   9.609  -0.405
  153   HG12  ILE  20          HG12      ILE  20  38.640  11.686  -1.468
  154   HG13  ILE  20          HG11      ILE  20  37.365  10.977  -2.475
  155   HG21  ILE  20          HG21      ILE  20  35.200  10.123  -0.491
  156   HG22  ILE  20          HG22      ILE  20  36.046   8.621  -0.065
  157   HG23  ILE  20          HG23      ILE  20  36.058   9.200  -1.746
  158   HD11  ILE  20           HD1      ILE  20  37.098  13.180  -0.384
  159   HD12  ILE  20           HD2      ILE  20  35.689  12.325  -1.053
  160   HD13  ILE  20           HD3      ILE  20  36.744  13.271  -2.125
  161    H    GLN  21           HN       GLN  21  39.129  10.782   2.548
  162    HA   GLN  21           HA       GLN  21  38.032   8.523   4.156
  163    HB2  GLN  21           HB2      GLN  21  40.052   7.935   2.729
  164    HB3  GLN  21           HB1      GLN  21  40.961   9.177   3.624
  165    HG2  GLN  21           HG2      GLN  21  40.380   8.004   5.761
  166    HG3  GLN  21           HG1      GLN  21  39.594   6.722   4.808
  167   HE21  GLN  21          HE21      GLN  21  41.733   7.120   2.608
  168   HE22  GLN  21          HE22      GLN  21  43.143   6.272   3.252
  169    H    ASN  22           HN       ASN  22  39.508  11.847   3.895
  170    HA   ASN  22           HA       ASN  22  39.367  11.895   6.968
  171    HB2  ASN  22           HB2      ASN  22  41.668  12.237   5.780
  172    HB3  ASN  22           HB1      ASN  22  41.033  13.838   5.351
  173   HD21  ASN  22          HD21      ASN  22  42.184  11.805   8.015
  174   HD22  ASN  22          HD22      ASN  22  42.148  13.083   9.234
  175    H    HIS  23           HN       HIS  23  37.178  12.416   4.987
  176    HA   HIS  23           HA       HIS  23  36.662  15.134   4.588
  177    HB2  HIS  23           HB2      HIS  23  35.193  13.361   3.758
  178    HB3  HIS  23           HB1      HIS  23  34.709  12.950   5.419
  179    HD1  HIS  23           HD1      HIS  23  32.944  14.405   6.563
  180    HD2  HIS  23           HD2      HIS  23  34.252  15.988   2.893
  181    HE1  HIS  23           HE1      HIS  23  31.377  16.330   5.963
  182    H    HIS  24           HN       HIS  24  34.628  13.668   7.071
  183    HA   HIS  24           HA       HIS  24  34.681  16.095   8.644
  184    HB2  HIS  24           HB2      HIS  24  32.728  14.582   8.577
  185    HB3  HIS  24           HB1      HIS  24  33.689  13.311   9.371
  186    HD1  HIS  24           HD1      HIS  24  32.054  16.678   9.988
  187    HD2  HIS  24           HD2      HIS  24  34.187  13.762  12.143
  188    HE1  HIS  24           HE1      HIS  24  31.810  17.234  12.470
  Start of MODEL   71
    1    H1   PHE   1           HT1      PHE   1  63.044   7.560   0.985
    2    H2   PHE   1           HT2      PHE   1  62.725   8.938   1.927
    3    H3   PHE   1           HT3      PHE   1  61.455   8.136   1.132
    4    HA   PHE   1           HA       PHE   1  63.136   6.897   3.210
    5    HB2  PHE   1           HB2      PHE   1  60.355   8.096   3.508
    6    HB3  PHE   1           HB1      PHE   1  61.342   7.340   4.783
    7    HD1  PHE   1           HD1      PHE   1  63.314   8.480   5.705
    8    HD2  PHE   1           HD2      PHE   1  60.910  10.317   2.625
    9    HE1  PHE   1           HE1      PHE   1  64.415  10.671   6.151
   10    HE2  PHE   1           HE2      PHE   1  62.013  12.507   3.071
   11    HZ   PHE   1           HZ       PHE   1  63.757  12.687   4.842
   12    H    LEU   2           HN       LEU   2  59.760   6.981   1.969
   13    HA   LEU   2           HA       LEU   2  59.485   4.098   2.350
   14    HB2  LEU   2           HB2      LEU   2  57.644   5.849   0.687
   15    HB3  LEU   2           HB1      LEU   2  57.246   4.398   1.637
   16    HG   LEU   2           HG       LEU   2  58.093   7.116   2.734
   17   HD11  LEU   2          HD11      LEU   2  55.486   5.539   2.914
   18   HD12  LEU   2          HD12      LEU   2  55.757   6.993   1.922
   19   HD13  LEU   2          HD13      LEU   2  55.808   7.103   3.698
   20   HD21  LEU   2          HD21      LEU   2  57.599   4.421   4.072
   21   HD22  LEU   2          HD22      LEU   2  57.492   5.959   4.964
   22   HD23  LEU   2          HD23      LEU   2  59.028   5.473   4.211
   23    H    GLY   3           HN       GLY   3  60.075   6.296  -0.382
   24    HA2  GLY   3           HA1      GLY   3  60.842   5.843  -2.516
   25    HA3  GLY   3           HA2      GLY   3  61.363   4.255  -1.920
   26    H    ALA   4           HN       ALA   4  58.052   5.559  -1.935
   27    HA   ALA   4           HA       ALA   4  57.252   4.178  -4.344
   28    HB1  ALA   4           HB1      ALA   4  55.859   2.426  -3.262
   29    HB2  ALA   4           HB2      ALA   4  56.599   2.839  -1.697
   30    HB3  ALA   4           HB3      ALA   4  57.601   2.173  -3.008
   31    H    LEU   5           HN       LEU   5  55.777   4.613  -1.092
   32    HA   LEU   5           HA       LEU   5  53.403   5.847  -2.293
   33    HB2  LEU   5           HB2      LEU   5  54.334   5.278   0.541
   34    HB3  LEU   5           HB1      LEU   5  52.871   6.240   0.228
   35    HG   LEU   5           HG       LEU   5  51.953   4.364  -1.138
   36   HD11  LEU   5          HD11      LEU   5  53.875   3.216  -1.950
   37   HD12  LEU   5          HD12      LEU   5  53.166   2.095  -0.768
   38   HD13  LEU   5          HD13      LEU   5  54.586   3.073  -0.326
   39   HD21  LEU   5          HD21      LEU   5  51.440   4.565   1.288
   40   HD22  LEU   5          HD22      LEU   5  52.858   3.557   1.664
   41   HD23  LEU   5          HD23      LEU   5  51.484   2.863   0.770
   42    H    ILE   6           HN       ILE   6  56.048   7.151  -2.715
   43    HA   ILE   6           HA       ILE   6  55.947   9.620  -1.061
   44    HB   ILE   6           HB       ILE   6  57.816  10.366  -2.524
   45   HG12  ILE   6          HG12      ILE   6  57.195   7.810  -4.083
   46   HG13  ILE   6          HG11      ILE   6  57.026   9.476  -4.681
   47   HG21  ILE   6          HG21      ILE   6  58.134   8.669  -0.623
   48   HG22  ILE   6          HG22      ILE   6  59.430   8.736  -1.839
   49   HG23  ILE   6          HG23      ILE   6  58.233   7.420  -1.888
   50   HD11  ILE   6           HD1      ILE   6  59.564   9.718  -4.129
   51   HD12  ILE   6           HD2      ILE   6  59.109   8.768  -5.563
   52   HD13  ILE   6           HD3      ILE   6  59.567   7.938  -4.059
   53    H    LYS   7           HN       LYS   7  56.691  11.334  -3.447
   54    HA   LYS   7           HA       LYS   7  55.433  13.007  -4.475
   55    HB2  LYS   7           HB2      LYS   7  53.768  10.547  -5.172
   56    HB3  LYS   7           HB1      LYS   7  53.183  12.178  -5.578
   57    HG2  LYS   7           HG2      LYS   7  55.090  12.614  -6.978
   58    HG3  LYS   7           HG1      LYS   7  55.943  11.171  -6.380
   59    HD2  LYS   7           HD2      LYS   7  55.007  10.712  -8.602
   60    HD3  LYS   7           HD1      LYS   7  54.159   9.734  -7.382
   61    HE2  LYS   7           HE2      LYS   7  52.224  11.107  -7.454
   62    HE3  LYS   7           HE1      LYS   7  53.092  12.449  -8.240
   63    HZ1  LYS   7           HZ1      LYS   7  51.621  11.062  -9.715
   64    HZ2  LYS   7           HZ2      LYS   7  52.736   9.794  -9.522
   65    HZ3  LYS   7           HZ3      LYS   7  53.220  11.252 -10.247
   66    H    GLY   8           HN       GLY   8  55.483  11.968  -1.978
   67    HA2  GLY   8           HA1      GLY   8  54.571  11.730   0.026
   68    HA3  GLY   8           HA2      GLY   8  54.107  13.458  -0.227
   69    H    ALA   9           HN       ALA   9  53.121  10.129  -0.158
   70    HA   ALA   9           HA       ALA   9  51.065   9.110  -0.102
   71    HB1  ALA   9           HB1      ALA   9  50.216  11.852   0.899
   72    HB2  ALA   9           HB2      ALA   9  50.748  10.472   1.890
   73    HB3  ALA   9           HB3      ALA   9  49.217  10.382   0.984
   74    H    ILE  10           HN       ILE  10  51.715   9.631  -2.586
   75    HA   ILE  10           HA       ILE  10  50.821   9.767  -4.688
   76    HB   ILE  10           HB       ILE  10  48.430   9.393  -3.021
   77   HG12  ILE  10          HG12      ILE  10  48.860   8.781  -5.977
   78   HG13  ILE  10          HG11      ILE  10  49.510   7.786  -4.656
   79   HG21  ILE  10          HG21      ILE  10  47.669  11.583  -3.864
   80   HG22  ILE  10          HG22      ILE  10  46.717  10.268  -4.583
   81   HG23  ILE  10          HG23      ILE  10  47.992  11.062  -5.536
   82   HD11  ILE  10           HD1      ILE  10  47.503   6.661  -5.091
   83   HD12  ILE  10           HD2      ILE  10  46.639   8.146  -5.545
   84   HD13  ILE  10           HD3      ILE  10  46.958   7.789  -3.831
   85    H    HIS  11           HN       HIS  11  49.912  12.325  -2.407
   86    HA   HIS  11           HA       HIS  11  50.993  14.362  -4.122
   87    HB2  HIS  11           HB2      HIS  11  48.935  13.971  -5.430
   88    HB3  HIS  11           HB1      HIS  11  47.951  14.226  -3.970
   89    HD1  HIS  11           HD1      HIS  11  46.793  16.401  -4.592
   90    HD2  HIS  11           HD2      HIS  11  50.977  16.594  -4.971
   91    HE1  HIS  11           HE1      HIS  11  47.403  18.840  -5.052
   92    H    GLY  12           HN       GLY  12  49.343  13.179  -1.353
   93    HA2  GLY  12           HA1      GLY  12  50.444  14.712   0.592
   94    HA3  GLY  12           HA2      GLY  12  49.171  15.801  -0.001
   95    H    GLY  13           HN       GLY  13  48.191  12.689  -0.576
   96    HA2  GLY  13           HA1      GLY  13  47.361  11.675   1.914
   97    HA3  GLY  13           HA2      GLY  13  46.099  12.806   1.385
   98    H    ARG  14           HN       ARG  14  45.218  12.514  -0.796
   99    HA   ARG  14           HA       ARG  14  45.634  10.087  -2.194
  100    HB2  ARG  14           HB2      ARG  14  44.313   9.369  -0.034
  101    HB3  ARG  14           HB1      ARG  14  42.917  10.023  -0.914
  102    HG2  ARG  14           HG2      ARG  14  44.818   7.871  -1.947
  103    HG3  ARG  14           HG1      ARG  14  43.179   7.591  -1.315
  104    HD2  ARG  14           HD2      ARG  14  42.414   9.304  -3.136
  105    HD3  ARG  14           HD1      ARG  14  44.010   9.004  -3.869
  106    HE   ARG  14           HE       ARG  14  42.874   6.471  -3.356
  107   HH11  ARG  14          HH11      ARG  14  43.605   6.619  -6.015
  108   HH12  ARG  14          HH12      ARG  14  42.163   6.964  -6.912
  109   HH21  ARG  14          HH21      ARG  14  40.393   8.080  -4.148
  110   HH22  ARG  14          HH22      ARG  14  40.345   7.791  -5.854
  111    H    PHE  15           HN       PHE  15  45.779  11.650  -3.846
  112    HA   PHE  15           HA       PHE  15  44.913  12.904  -5.598
  113    HB2  PHE  15           HB2      PHE  15  43.394  10.844  -5.788
  114    HB3  PHE  15           HB1      PHE  15  42.173  11.771  -4.889
  115    HD1  PHE  15           HD1      PHE  15  44.438  12.002  -7.888
  116    HD2  PHE  15           HD2      PHE  15  40.730  13.248  -6.064
  117    HE1  PHE  15           HE1      PHE  15  43.785  13.152  -9.999
  118    HE2  PHE  15           HE2      PHE  15  40.077  14.396  -8.176
  119    HZ   PHE  15           HZ       PHE  15  41.585  14.310 -10.156
  120    H    ILE  16           HN       ILE  16  41.999  12.899  -3.505
  121    HA   ILE  16           HA       ILE  16  41.882  15.798  -3.536
  122    HB   ILE  16           HB       ILE  16  40.548  13.825  -1.601
  123   HG12  ILE  16          HG12      ILE  16  38.529  14.741  -3.274
  124   HG13  ILE  16          HG11      ILE  16  39.892  14.730  -4.409
  125   HG21  ILE  16          HG21      ILE  16  38.973  15.755  -1.220
  126   HG22  ILE  16          HG22      ILE  16  40.045  16.775  -2.208
  127   HG23  ILE  16          HG23      ILE  16  40.632  16.085  -0.677
  128   HD11  ILE  16           HD1      ILE  16  38.673  12.416  -2.869
  129   HD12  ILE  16           HD2      ILE  16  40.333  12.311  -3.494
  130   HD13  ILE  16           HD3      ILE  16  38.976  12.560  -4.616
  131    H    HIS  17           HN       HIS  17  42.273  13.521  -0.782
  132    HA   HIS  17           HA       HIS  17  44.809  14.398   0.100
  133    HB2  HIS  17           HB2      HIS  17  43.876  16.637   0.461
  134    HB3  HIS  17           HB1      HIS  17  42.527  15.960   1.395
  135    HD1  HIS  17           HD1      HIS  17  46.245  15.051   1.648
  136    HD2  HIS  17           HD2      HIS  17  43.238  16.907   3.925
  137    HE1  HIS  17           HE1      HIS  17  47.188  15.429   3.993
  138    H    GLY  18           HN       GLY  18  44.092  11.862   0.135
  139    HA2  GLY  18           HA1      GLY  18  44.412  10.347   2.078
  140    HA3  GLY  18           HA2      GLY  18  43.302  11.354   3.021
  141    H    MET  19           HN       MET  19  41.497  11.809   0.888
  142    HA   MET  19           HA       MET  19  40.302  10.207  -0.635
  143    HB2  MET  19           HB2      MET  19  40.624   8.090   0.353
  144    HB3  MET  19           HB1      MET  19  40.040   8.641   1.925
  145    HG2  MET  19           HG2      MET  19  37.763   8.816   1.096
  146    HG3  MET  19           HG1      MET  19  38.303   8.523  -0.572
  147    HE1  MET  19           HE1      MET  19  40.434   5.778  -0.138
  148    HE2  MET  19           HE2      MET  19  39.491   6.667  -1.356
  149    HE3  MET  19           HE3      MET  19  39.072   4.984  -0.961
  150    H    ILE  20           HN       ILE  20  39.341  12.043  -1.125
  151    HA   ILE  20           HA       ILE  20  37.671  13.654  -1.040
  152    HB   ILE  20           HB       ILE  20  36.157  11.946   0.992
  153   HG12  ILE  20          HG12      ILE  20  36.353  11.539  -2.030
  154   HG13  ILE  20          HG11      ILE  20  36.882  10.400  -0.773
  155   HG21  ILE  20          HG21      ILE  20  34.216  12.985   0.072
  156   HG22  ILE  20          HG22      ILE  20  35.087  13.531  -1.381
  157   HG23  ILE  20          HG23      ILE  20  35.403  14.302   0.188
  158   HD11  ILE  20           HD1      ILE  20  34.429  10.464   0.067
  159   HD12  ILE  20           HD2      ILE  20  34.751   9.590  -1.449
  160   HD13  ILE  20           HD3      ILE  20  34.051  11.224  -1.498
  161    H    GLN  21           HN       GLN  21  39.927  13.170   0.780
  162    HA   GLN  21           HA       GLN  21  40.919  14.555   2.415
  163    HB2  GLN  21           HB2      GLN  21  38.839  16.187   2.036
  164    HB3  GLN  21           HB1      GLN  21  38.224  15.435   3.526
  165    HG2  GLN  21           HG2      GLN  21  40.426  15.999   4.636
  166    HG3  GLN  21           HG1      GLN  21  40.870  16.908   3.171
  167   HE21  GLN  21          HE21      GLN  21  39.891  18.969   2.802
  168   HE22  GLN  21          HE22      GLN  21  38.792  19.710   3.970
  169    H    ASN  22           HN       ASN  22  40.059  11.910   2.249
  170    HA   ASN  22           HA       ASN  22  39.482  10.056   3.478
  171    HB2  ASN  22           HB2      ASN  22  40.773   9.927   5.681
  172    HB3  ASN  22           HB1      ASN  22  41.697  10.176   4.170
  173   HD21  ASN  22          HD21      ASN  22  40.992  11.492   7.322
  174   HD22  ASN  22          HD22      ASN  22  41.833  13.029   7.098
  175    H    HIS  23           HN       HIS  23  37.375  11.193   3.305
  176    HA   HIS  23           HA       HIS  23  35.318  11.658   4.311
  177    HB2  HIS  23           HB2      HIS  23  36.525   9.843   6.435
  178    HB3  HIS  23           HB1      HIS  23  34.816  10.338   6.389
  179    HD1  HIS  23           HD1      HIS  23  34.441  10.206   3.258
  180    HD2  HIS  23           HD2      HIS  23  36.243   7.196   5.578
  181    HE1  HIS  23           HE1      HIS  23  34.209   8.010   1.971
  182    H    HIS  24           HN       HIS  24  34.287  12.285   6.627
  183    HA   HIS  24           HA       HIS  24  35.241  14.879   7.205
  184    HB2  HIS  24           HB2      HIS  24  32.974  13.980   7.783
  185    HB3  HIS  24           HB1      HIS  24  33.721  13.049   9.103
  186    HD1  HIS  24           HD1      HIS  24  33.227  14.229  11.246
  187    HD2  HIS  24           HD2      HIS  24  34.179  16.912   8.151
  188    HE1  HIS  24           HE1      HIS  24  33.285  16.574  12.262
  Start of MODEL   72
    1    H1   PHE   1           HT1      PHE   1  56.218   5.573 -12.514
    2    H2   PHE   1           HT2      PHE   1  55.316   4.243 -13.062
    3    H3   PHE   1           HT3      PHE   1  56.327   5.089 -14.133
    4    HA   PHE   1           HA       PHE   1  56.983   2.835 -12.905
    5    HB2  PHE   1           HB2      PHE   1  59.302   3.410 -13.524
    6    HB3  PHE   1           HB1      PHE   1  58.159   3.898 -14.797
    7    HD1  PHE   1           HD1      PHE   1  60.472   5.072 -12.172
    8    HD2  PHE   1           HD2      PHE   1  57.571   6.277 -15.132
    9    HE1  PHE   1           HE1      PHE   1  61.262   7.428 -11.987
   10    HE2  PHE   1           HE2      PHE   1  58.361   8.634 -14.947
   11    HZ   PHE   1           HZ       PHE   1  60.224   9.203 -13.394
   12    H    LEU   2           HN       LEU   2  56.187   5.333 -11.063
   13    HA   LEU   2           HA       LEU   2  58.418   5.500  -9.209
   14    HB2  LEU   2           HB2      LEU   2  55.500   6.074  -8.582
   15    HB3  LEU   2           HB1      LEU   2  56.948   6.785  -7.832
   16    HG   LEU   2           HG       LEU   2  56.093   7.158 -10.740
   17   HD11  LEU   2          HD11      LEU   2  56.097   9.120  -8.406
   18   HD12  LEU   2          HD12      LEU   2  54.648   8.303  -9.040
   19   HD13  LEU   2          HD13      LEU   2  55.547   9.445 -10.066
   20   HD21  LEU   2          HD21      LEU   2  57.906   9.010 -10.549
   21   HD22  LEU   2          HD22      LEU   2  58.477   7.332 -10.677
   22   HD23  LEU   2          HD23      LEU   2  58.460   8.147  -9.093
   23    H    GLY   3           HN       GLY   3  58.988   3.317  -8.804
   24    HA2  GLY   3           HA1      GLY   3  57.034   1.497  -7.621
   25    HA3  GLY   3           HA2      GLY   3  58.781   1.232  -7.785
   26    H    ALA   4           HN       ALA   4  56.756   3.671  -6.090
   27    HA   ALA   4           HA       ALA   4  57.410   2.672  -3.469
   28    HB1  ALA   4           HB1      ALA   4  58.885   4.596  -2.785
   29    HB2  ALA   4           HB2      ALA   4  59.060   4.994  -4.512
   30    HB3  ALA   4           HB3      ALA   4  59.650   3.433  -3.893
   31    H    LEU   5           HN       LEU   5  55.771   3.301  -2.241
   32    HA   LEU   5           HA       LEU   5  53.955   5.381  -3.143
   33    HB2  LEU   5           HB2      LEU   5  54.056   4.167  -0.359
   34    HB3  LEU   5           HB1      LEU   5  52.649   4.827  -1.226
   35    HG   LEU   5           HG       LEU   5  54.221   2.327  -2.002
   36   HD11  LEU   5          HD11      LEU   5  51.358   2.628  -0.996
   37   HD12  LEU   5          HD12      LEU   5  52.734   2.163   0.034
   38   HD13  LEU   5          HD13      LEU   5  52.232   1.111  -1.311
   39   HD21  LEU   5          HD21      LEU   5  52.175   2.083  -3.588
   40   HD22  LEU   5          HD22      LEU   5  53.412   3.277  -4.040
   41   HD23  LEU   5          HD23      LEU   5  51.891   3.815  -3.286
   42    H    ILE   6           HN       ILE   6  54.979   7.346  -3.282
   43    HA   ILE   6           HA       ILE   6  55.416   8.710  -0.652
   44    HB   ILE   6           HB       ILE   6  57.635   9.609  -1.356
   45   HG12  ILE   6          HG12      ILE   6  57.320   7.663  -3.692
   46   HG13  ILE   6          HG11      ILE   6  57.378   9.436  -3.804
   47   HG21  ILE   6          HG21      ILE   6  57.370   7.444  -0.014
   48   HG22  ILE   6          HG22      ILE   6  58.932   7.665  -0.832
   49   HG23  ILE   6          HG23      ILE   6  57.710   6.573  -1.528
   50   HD11  ILE   6           HD1      ILE   6  59.611   7.511  -3.087
   51   HD12  ILE   6           HD2      ILE   6  59.698   9.228  -2.619
   52   HD13  ILE   6           HD3      ILE   6  59.588   8.775  -4.337
   53    H    LYS   7           HN       LYS   7  56.867  10.912  -2.213
   54    HA   LYS   7           HA       LYS   7  56.013  12.962  -2.920
   55    HB2  LYS   7           HB2      LYS   7  54.338  11.068  -4.632
   56    HB3  LYS   7           HB1      LYS   7  54.065  12.826  -4.668
   57    HG2  LYS   7           HG2      LYS   7  56.447  13.178  -5.281
   58    HG3  LYS   7           HG1      LYS   7  56.700  11.415  -5.274
   59    HD2  LYS   7           HD2      LYS   7  55.046  11.136  -7.067
   60    HD3  LYS   7           HD1      LYS   7  54.696  12.881  -7.043
   61    HE2  LYS   7           HE2      LYS   7  57.008  13.385  -7.707
   62    HE3  LYS   7           HE1      LYS   7  57.420  11.655  -7.659
   63    HZ1  LYS   7           HZ1      LYS   7  56.958  12.213  -9.900
   64    HZ2  LYS   7           HZ2      LYS   7  55.520  13.020  -9.494
   65    HZ3  LYS   7           HZ3      LYS   7  55.620  11.331  -9.347
   66    H    GLY   8           HN       GLY   8  55.383  11.282  -0.895
   67    HA2  GLY   8           HA1      GLY   8  53.985  10.621   0.698
   68    HA3  GLY   8           HA2      GLY   8  53.760  12.401   0.909
   69    H    ALA   9           HN       ALA   9  52.481   9.411  -0.320
   70    HA   ALA   9           HA       ALA   9  50.452   8.829  -1.259
   71    HB1  ALA   9           HB1      ALA   9  49.846   8.889   1.064
   72    HB2  ALA   9           HB2      ALA   9  48.510   9.622   0.144
   73    HB3  ALA   9           HB3      ALA   9  49.658  10.657   1.028
   74    H    ILE  10           HN       ILE  10  51.646  10.775  -2.790
   75    HA   ILE  10           HA       ILE  10  51.261  12.632  -4.149
   76    HB   ILE  10           HB       ILE  10  48.897  12.247  -5.418
   77   HG12  ILE  10          HG12      ILE  10  49.441   9.572  -4.035
   78   HG13  ILE  10          HG11      ILE  10  48.066  10.642  -3.695
   79   HG21  ILE  10          HG21      ILE  10  50.018  10.701  -6.921
   80   HG22  ILE  10          HG22      ILE  10  51.156  10.208  -5.646
   81   HG23  ILE  10          HG23      ILE  10  51.231  11.851  -6.324
   82   HD11  ILE  10           HD1      ILE  10  47.122   9.119  -5.215
   83   HD12  ILE  10           HD2      ILE  10  48.617   8.983  -6.165
   84   HD13  ILE  10           HD3      ILE  10  47.611  10.446  -6.295
   85    H    HIS  11           HN       HIS  11  47.782  12.353  -3.699
   86    HA   HIS  11           HA       HIS  11  47.435  15.103  -3.229
   87    HB2  HIS  11           HB2      HIS  11  45.620  12.970  -2.071
   88    HB3  HIS  11           HB1      HIS  11  45.196  14.604  -2.643
   89    HD1  HIS  11           HD1      HIS  11  44.688  11.316  -3.693
   90    HD2  HIS  11           HD2      HIS  11  46.427  14.618  -5.627
   91    HE1  HIS  11           HE1      HIS  11  44.531  10.895  -6.208
   92    H    GLY  12           HN       GLY  12  48.988  12.887  -1.187
   93    HA2  GLY  12           HA1      GLY  12  48.020  13.834   1.359
   94    HA3  GLY  12           HA2      GLY  12  49.573  13.028   1.061
   95    H    GLY  13           HN       GLY  13  49.427  15.500  -1.083
   96    HA2  GLY  13           HA1      GLY  13  50.084  17.745   0.644
   97    HA3  GLY  13           HA2      GLY  13  51.523  17.004  -0.086
   98    H    ARG  14           HN       ARG  14  49.924  16.175  -2.499
   99    HA   ARG  14           HA       ARG  14  50.471  18.550  -4.050
  100    HB2  ARG  14           HB2      ARG  14  50.626  16.253  -4.974
  101    HB3  ARG  14           HB1      ARG  14  48.871  16.067  -4.795
  102    HG2  ARG  14           HG2      ARG  14  49.419  16.666  -7.113
  103    HG3  ARG  14           HG1      ARG  14  48.518  17.990  -6.349
  104    HD2  ARG  14           HD2      ARG  14  50.408  19.387  -6.244
  105    HD3  ARG  14           HD1      ARG  14  51.550  18.019  -6.271
  106    HE   ARG  14           HE       ARG  14  50.140  18.025  -8.743
  107   HH11  ARG  14          HH11      ARG  14  51.758  18.324 -10.394
  108   HH12  ARG  14          HH12      ARG  14  52.780  19.716 -10.265
  109   HH21  ARG  14          HH21      ARG  14  51.713  20.528  -7.066
  110   HH22  ARG  14          HH22      ARG  14  52.753  20.965  -8.381
  111    H    PHE  15           HN       PHE  15  47.504  17.083  -2.693
  112    HA   PHE  15           HA       PHE  15  45.492  18.463  -3.976
  113    HB2  PHE  15           HB2      PHE  15  45.124  16.902  -2.100
  114    HB3  PHE  15           HB1      PHE  15  45.751  18.117  -0.963
  115    HD1  PHE  15           HD1      PHE  15  42.922  17.148  -3.127
  116    HD2  PHE  15           HD2      PHE  15  44.495  20.200  -0.511
  117    HE1  PHE  15           HE1      PHE  15  40.666  18.198  -2.995
  118    HE2  PHE  15           HE2      PHE  15  42.239  21.249  -0.379
  119    HZ   PHE  15           HZ       PHE  15  40.335  20.274  -1.658
  120    H    ILE  16           HN       ILE  16  47.461  19.771  -1.261
  121    HA   ILE  16           HA       ILE  16  46.179  22.331  -1.243
  122    HB   ILE  16           HB       ILE  16  49.073  21.769  -0.458
  123   HG12  ILE  16          HG12      ILE  16  46.496  21.411   1.139
  124   HG13  ILE  16          HG11      ILE  16  47.546  20.099   0.553
  125   HG21  ILE  16          HG21      ILE  16  47.059  23.723   0.726
  126   HG22  ILE  16          HG22      ILE  16  48.183  24.178  -0.575
  127   HG23  ILE  16          HG23      ILE  16  48.814  23.661   1.003
  128   HD11  ILE  16           HD1      ILE  16  48.119  22.174   2.694
  129   HD12  ILE  16           HD2      ILE  16  49.446  21.318   1.873
  130   HD13  ILE  16           HD3      ILE  16  48.234  20.403   2.800
  131    H    HIS  17           HN       HIS  17  49.659  22.121  -2.059
  132    HA   HIS  17           HA       HIS  17  49.202  23.148  -4.780
  133    HB2  HIS  17           HB2      HIS  17  50.199  24.970  -2.558
  134    HB3  HIS  17           HB1      HIS  17  50.542  25.284  -4.276
  135    HD1  HIS  17           HD1      HIS  17  48.091  25.963  -1.683
  136    HD2  HIS  17           HD2      HIS  17  47.901  25.268  -5.826
  137    HE1  HIS  17           HE1      HIS  17  45.856  26.886  -2.509
  138    H    GLY  18           HN       GLY  18  50.500  20.907  -3.526
  139    HA2  GLY  18           HA1      GLY  18  52.537  20.035  -4.780
  140    HA3  GLY  18           HA2      GLY  18  53.392  21.463  -4.144
  141    H    MET  19           HN       MET  19  52.330  21.670  -1.690
  142    HA   MET  19           HA       MET  19  51.943  19.730   0.037
  143    HB2  MET  19           HB2      MET  19  53.585  18.147  -0.365
  144    HB3  MET  19           HB1      MET  19  54.748  19.348  -0.925
  145    HG2  MET  19           HG2      MET  19  55.419  19.902   1.284
  146    HG3  MET  19           HG1      MET  19  53.930  19.237   1.993
  147    HE1  MET  19           HE1      MET  19  56.875  18.297  -0.362
  148    HE2  MET  19           HE2      MET  19  57.711  17.059   0.606
  149    HE3  MET  19           HE3      MET  19  57.567  18.723   1.222
  150    H    ILE  20           HN       ILE  20  50.990  21.465   0.891
  151    HA   ILE  20           HA       ILE  20  50.853  23.309   2.301
  152    HB   ILE  20           HB       ILE  20  53.763  22.868   3.122
  153   HG12  ILE  20          HG12      ILE  20  51.301  21.433   4.233
  154   HG13  ILE  20          HG11      ILE  20  52.540  20.677   3.212
  155   HG21  ILE  20          HG21      ILE  20  51.388  23.712   4.838
  156   HG22  ILE  20          HG22      ILE  20  52.316  24.892   3.890
  157   HG23  ILE  20          HG23      ILE  20  53.123  23.943   5.154
  158   HD11  ILE  20           HD1      ILE  20  53.186  20.127   5.432
  159   HD12  ILE  20           HD2      ILE  20  52.833  21.765   6.030
  160   HD13  ILE  20           HD3      ILE  20  54.250  21.483   4.988
  161    H    GLN  21           HN       GLN  21  51.986  23.007  -0.400
  162    HA   GLN  21           HA       GLN  21  52.471  24.641  -2.045
  163    HB2  GLN  21           HB2      GLN  21  52.069  26.457  -0.133
  164    HB3  GLN  21           HB1      GLN  21  53.845  26.471  -0.036
  165    HG2  GLN  21           HG2      GLN  21  53.977  26.961  -2.463
  166    HG3  GLN  21           HG1      GLN  21  52.200  26.952  -2.561
  167   HE21  GLN  21          HE21      GLN  21  51.017  28.763  -1.677
  168   HE22  GLN  21          HE22      GLN  21  51.844  30.228  -1.139
  169    H    ASN  22           HN       ASN  22  53.720  22.413  -0.924
  170    HA   ASN  22           HA       ASN  22  55.724  21.316  -0.735
  171    HB2  ASN  22           HB2      ASN  22  57.220  21.633  -2.721
  172    HB3  ASN  22           HB1      ASN  22  55.500  21.329  -3.097
  173   HD21  ASN  22          HD21      ASN  22  54.210  23.104  -3.956
  174   HD22  ASN  22          HD22      ASN  22  54.977  24.584  -4.544
  175    H    HIS  23           HN       HIS  23  55.707  22.816   1.204
  176    HA   HIS  23           HA       HIS  23  57.768  24.872   1.280
  177    HB2  HIS  23           HB2      HIS  23  55.885  24.770   2.887
  178    HB3  HIS  23           HB1      HIS  23  56.538  23.250   3.546
  179    HD1  HIS  23           HD1      HIS  23  58.033  23.523   5.517
  180    HD2  HIS  23           HD2      HIS  23  57.993  26.956   3.088
  181    HE1  HIS  23           HE1      HIS  23  59.522  25.267   6.641
  182    H    HIS  24           HN       HIS  24  59.585  23.852   0.279
  183    HA   HIS  24           HA       HIS  24  60.785  21.439   1.075
  184    HB2  HIS  24           HB2      HIS  24  62.915  22.440   0.260
  185    HB3  HIS  24           HB1      HIS  24  61.559  22.729  -0.856
  186    HD1  HIS  24           HD1      HIS  24  60.750  24.901   1.785
  187    HD2  HIS  24           HD2      HIS  24  63.801  24.997  -1.108
  188    HE1  HIS  24           HE1      HIS  24  61.518  27.329   1.568
  Start of MODEL   73
    1    H1   PHE   1           HT1      PHE   1  61.533   7.308   5.799
    2    H2   PHE   1           HT2      PHE   1  62.286   6.853   7.252
    3    H3   PHE   1           HT3      PHE   1  60.660   7.345   7.251
    4    HA   PHE   1           HA       PHE   1  61.823   4.799   6.696
    5    HB2  PHE   1           HB2      PHE   1  59.546   4.063   7.302
    6    HB3  PHE   1           HB1      PHE   1  60.180   5.229   8.488
    7    HD1  PHE   1           HD1      PHE   1  57.781   4.712   5.708
    8    HD2  PHE   1           HD2      PHE   1  59.280   7.498   8.644
    9    HE1  PHE   1           HE1      PHE   1  55.832   6.206   5.284
   10    HE2  PHE   1           HE2      PHE   1  57.331   8.992   8.221
   11    HZ   PHE   1           HZ       PHE   1  55.580   8.320   6.579
   12    H    LEU   2           HN       LEU   2  60.495   7.271   4.776
   13    HA   LEU   2           HA       LEU   2  58.836   5.984   2.948
   14    HB2  LEU   2           HB2      LEU   2  59.386   7.697   1.390
   15    HB3  LEU   2           HB1      LEU   2  59.560   8.432   2.997
   16    HG   LEU   2           HG       LEU   2  61.787   7.438   1.161
   17   HD11  LEU   2          HD11      LEU   2  62.513   9.805   1.318
   18   HD12  LEU   2          HD12      LEU   2  61.112  10.162   2.358
   19   HD13  LEU   2          HD13      LEU   2  60.863   9.675   0.663
   20   HD21  LEU   2          HD21      LEU   2  63.277   8.363   3.057
   21   HD22  LEU   2          HD22      LEU   2  62.493   6.798   3.368
   22   HD23  LEU   2          HD23      LEU   2  61.830   8.285   4.090
   23    H    GLY   3           HN       GLY   3  59.541   5.623   0.525
   24    HA2  GLY   3           HA1      GLY   3  62.005   4.564  -0.215
   25    HA3  GLY   3           HA2      GLY   3  61.164   3.216   0.577
   26    H    ALA   4           HN       ALA   4  58.631   4.818  -0.454
   27    HA   ALA   4           HA       ALA   4  58.735   4.360  -3.337
   28    HB1  ALA   4           HB1      ALA   4  57.099   2.545  -3.412
   29    HB2  ALA   4           HB2      ALA   4  57.060   2.480  -1.634
   30    HB3  ALA   4           HB3      ALA   4  58.543   2.029  -2.510
   31    H    LEU   5           HN       LEU   5  56.000   3.982  -3.795
   32    HA   LEU   5           HA       LEU   5  54.043   5.212  -3.943
   33    HB2  LEU   5           HB2      LEU   5  54.629   6.257  -1.152
   34    HB3  LEU   5           HB1      LEU   5  53.049   6.021  -1.933
   35    HG   LEU   5           HG       LEU   5  55.009   3.824  -1.132
   36   HD11  LEU   5          HD11      LEU   5  53.702   4.993   0.706
   37   HD12  LEU   5          HD12      LEU   5  53.370   3.250   0.553
   38   HD13  LEU   5          HD13      LEU   5  52.212   4.438  -0.092
   39   HD21  LEU   5          HD21      LEU   5  53.899   3.029  -3.090
   40   HD22  LEU   5          HD22      LEU   5  52.358   3.796  -2.632
   41   HD23  LEU   5          HD23      LEU   5  52.944   2.369  -1.744
   42    H    ILE   6           HN       ILE   6  55.858   7.430  -1.787
   43    HA   ILE   6           HA       ILE   6  56.220   9.730  -2.004
   44    HB   ILE   6           HB       ILE   6  56.992   9.418  -4.934
   45   HG12  ILE   6          HG12      ILE   6  57.646   7.199  -3.958
   46   HG13  ILE   6          HG11      ILE   6  59.036   8.179  -4.451
   47   HG21  ILE   6          HG21      ILE   6  57.542  11.488  -3.768
   48   HG22  ILE   6          HG22      ILE   6  59.048  10.600  -4.085
   49   HG23  ILE   6          HG23      ILE   6  58.338  10.595  -2.455
   50   HD11  ILE   6           HD1      ILE   6  59.656   8.665  -2.226
   51   HD12  ILE   6           HD2      ILE   6  59.108   6.978  -2.121
   52   HD13  ILE   6           HD3      ILE   6  58.039   8.290  -1.584
   53    H    LYS   7           HN       LYS   7  56.099  11.154  -4.691
   54    HA   LYS   7           HA       LYS   7  54.473  12.648  -5.435
   55    HB2  LYS   7           HB2      LYS   7  52.880  10.053  -5.352
   56    HB3  LYS   7           HB1      LYS   7  52.064  11.590  -5.719
   57    HG2  LYS   7           HG2      LYS   7  52.784  10.386  -7.785
   58    HG3  LYS   7           HG1      LYS   7  53.577  11.971  -7.621
   59    HD2  LYS   7           HD2      LYS   7  55.625  10.966  -6.850
   60    HD3  LYS   7           HD1      LYS   7  54.847   9.378  -6.650
   61    HE2  LYS   7           HE2      LYS   7  56.218   9.502  -8.733
   62    HE3  LYS   7           HE1      LYS   7  54.496   9.214  -9.078
   63    HZ1  LYS   7           HZ1      LYS   7  54.195  11.393  -9.774
   64    HZ2  LYS   7           HZ2      LYS   7  55.725  11.011 -10.405
   65    HZ3  LYS   7           HZ3      LYS   7  55.595  11.961  -9.002
   66    H    GLY   8           HN       GLY   8  55.295  11.892  -2.968
   67    HA2  GLY   8           HA1      GLY   8  55.041  11.881  -0.775
   68    HA3  GLY   8           HA2      GLY   8  54.377  13.536  -1.053
   69    H    ALA   9           HN       ALA   9  53.663  10.141  -0.532
   70    HA   ALA   9           HA       ALA   9  51.795   9.023   0.214
   71    HB1  ALA   9           HB1      ALA   9  50.532  10.131   2.000
   72    HB2  ALA   9           HB2      ALA   9  51.237  11.699   1.539
   73    HB3  ALA   9           HB3      ALA   9  52.278  10.412   2.193
   74    H    ILE  10           HN       ILE  10  51.321   9.470  -2.298
   75    HA   ILE  10           HA       ILE  10  49.646   9.810  -3.864
   76    HB   ILE  10           HB       ILE  10  48.162   9.325  -1.284
   77   HG12  ILE  10          HG12      ILE  10  47.633   8.175  -4.050
   78   HG13  ILE  10          HG11      ILE  10  48.983   7.609  -3.043
   79   HG21  ILE  10          HG21      ILE  10  46.803  11.183  -2.104
   80   HG22  ILE  10          HG22      ILE  10  45.929   9.657  -2.313
   81   HG23  ILE  10          HG23      ILE  10  46.698  10.429  -3.713
   82   HD11  ILE  10           HD1      ILE  10  47.256   6.095  -2.504
   83   HD12  ILE  10           HD2      ILE  10  46.001   7.348  -2.544
   84   HD13  ILE  10           HD3      ILE  10  47.143   7.278  -1.183
   85    H    HIS  11           HN       HIS  11  50.869  11.997  -1.937
   86    HA   HIS  11           HA       HIS  11  51.110  14.278  -2.201
   87    HB2  HIS  11           HB2      HIS  11  50.197  13.888  -4.601
   88    HB3  HIS  11           HB1      HIS  11  48.630  14.426  -3.957
   89    HD1  HIS  11           HD1      HIS  11  50.320  16.427  -1.871
   90    HD2  HIS  11           HD2      HIS  11  50.375  16.373  -6.074
   91    HE1  HIS  11           HE1      HIS  11  51.030  18.754  -2.654
   92    H    GLY  12           HN       GLY  12  49.373  12.710  -0.364
   93    HA2  GLY  12           HA1      GLY  12  48.082  13.236   1.495
   94    HA3  GLY  12           HA2      GLY  12  48.350  14.954   1.130
   95    H    GLY  13           HN       GLY  13  46.862  12.471  -0.911
   96    HA2  GLY  13           HA1      GLY  13  44.662  12.214  -1.618
   97    HA3  GLY  13           HA2      GLY  13  44.146  13.369  -0.371
   98    H    ARG  14           HN       ARG  14  46.324  13.548  -3.229
   99    HA   ARG  14           HA       ARG  14  44.499  15.561  -4.458
  100    HB2  ARG  14           HB2      ARG  14  47.184  16.146  -3.256
  101    HB3  ARG  14           HB1      ARG  14  46.893  16.863  -4.853
  102    HG2  ARG  14           HG2      ARG  14  44.804  17.135  -2.659
  103    HG3  ARG  14           HG1      ARG  14  46.217  18.212  -2.685
  104    HD2  ARG  14           HD2      ARG  14  45.637  19.103  -4.819
  105    HD3  ARG  14           HD1      ARG  14  44.463  17.804  -5.138
  106    HE   ARG  14           HE       ARG  14  42.878  19.023  -3.877
  107   HH11  ARG  14          HH11      ARG  14  43.812  19.372  -1.273
  108   HH12  ARG  14          HH12      ARG  14  44.321  21.024  -1.158
  109   HH21  ARG  14          HH21      ARG  14  44.519  21.479  -4.589
  110   HH22  ARG  14          HH22      ARG  14  44.722  22.216  -3.036
  111    H    PHE  15           HN       PHE  15  46.775  13.005  -4.626
  112    HA   PHE  15           HA       PHE  15  47.537  13.479  -7.435
  113    HB2  PHE  15           HB2      PHE  15  49.054  12.286  -5.884
  114    HB3  PHE  15           HB1      PHE  15  47.841  11.004  -5.684
  115    HD1  PHE  15           HD1      PHE  15  49.562  12.890  -8.480
  116    HD2  PHE  15           HD2      PHE  15  48.091   9.089  -7.044
  117    HE1  PHE  15           HE1      PHE  15  50.426  11.777 -10.531
  118    HE2  PHE  15           HE2      PHE  15  48.956   7.982  -9.098
  119    HZ   PHE  15           HZ       PHE  15  50.139   9.321 -10.832
  120    H    ILE  16           HN       ILE  16  45.191  11.598  -5.598
  121    HA   ILE  16           HA       ILE  16  43.663  11.099  -8.112
  122    HB   ILE  16           HB       ILE  16  43.169   8.720  -7.202
  123   HG12  ILE  16          HG12      ILE  16  45.791   9.292  -5.737
  124   HG13  ILE  16          HG11      ILE  16  44.198   9.149  -4.957
  125   HG21  ILE  16          HG21      ILE  16  46.012   9.273  -8.158
  126   HG22  ILE  16          HG22      ILE  16  44.585   9.244  -9.219
  127   HG23  ILE  16          HG23      ILE  16  45.089   7.767  -8.368
  128   HD11  ILE  16           HD1      ILE  16  44.099   6.803  -6.173
  129   HD12  ILE  16           HD2      ILE  16  45.077   6.977  -4.698
  130   HD13  ILE  16           HD3      ILE  16  45.865   6.995  -6.291
  131    H    HIS  17           HN       HIS  17  43.029  13.063  -6.537
  132    HA   HIS  17           HA       HIS  17  40.596  12.079  -5.099
  133    HB2  HIS  17           HB2      HIS  17  42.429  12.444  -3.408
  134    HB3  HIS  17           HB1      HIS  17  42.526  14.137  -3.950
  135    HD1  HIS  17           HD1      HIS  17  40.874  15.773  -2.981
  136    HD2  HIS  17           HD2      HIS  17  39.836  11.773  -2.212
  137    HE1  HIS  17           HE1      HIS  17  38.849  15.799  -1.425
  138    H    GLY  18           HN       GLY  18  42.503  14.567  -6.707
  139    HA2  GLY  18           HA1      GLY  18  40.819  16.790  -6.649
  140    HA3  GLY  18           HA2      GLY  18  41.768  16.303  -8.074
  141    H    MET  19           HN       MET  19  40.443  13.760  -8.255
  142    HA   MET  19           HA       MET  19  37.845  13.453  -8.602
  143    HB2  MET  19           HB2      MET  19  38.640  15.626 -10.478
  144    HB3  MET  19           HB1      MET  19  37.524  14.401 -11.098
  145    HG2  MET  19           HG2      MET  19  35.763  15.108  -9.773
  146    HG3  MET  19           HG1      MET  19  36.804  15.546  -8.406
  147    HE1  MET  19           HE1      MET  19  34.255  16.978 -10.171
  148    HE2  MET  19           HE2      MET  19  34.639  18.670  -9.772
  149    HE3  MET  19           HE3      MET  19  34.738  17.412  -8.515
  150    H    ILE  20           HN       ILE  20  40.736  12.684  -8.882
  151    HA   ILE  20           HA       ILE  20  41.877  10.982  -9.941
  152    HB   ILE  20           HB       ILE  20  39.046  10.067 -10.689
  153   HG12  ILE  20          HG12      ILE  20  39.612   8.219  -9.112
  154   HG13  ILE  20          HG11      ILE  20  41.188   8.983  -8.803
  155   HG21  ILE  20          HG21      ILE  20  40.290   7.902 -11.353
  156   HG22  ILE  20          HG22      ILE  20  41.757   8.907 -11.426
  157   HG23  ILE  20          HG23      ILE  20  40.379   9.261 -12.495
  158   HD11  ILE  20           HD1      ILE  20  39.222   9.451  -7.135
  159   HD12  ILE  20           HD2      ILE  20  38.613  10.546  -8.400
  160   HD13  ILE  20           HD3      ILE  20  40.217  10.821  -7.675
  161    H    GLN  21           HN       GLN  21  39.920  13.376 -11.197
  162    HA   GLN  21           HA       GLN  21  41.222  13.082 -13.960
  163    HB2  GLN  21           HB2      GLN  21  38.513  14.257 -13.230
  164    HB3  GLN  21           HB1      GLN  21  39.257  14.314 -14.844
  165    HG2  GLN  21           HG2      GLN  21  39.270  11.883 -14.989
  166    HG3  GLN  21           HG1      GLN  21  38.702  11.740 -13.308
  167   HE21  GLN  21          HE21      GLN  21  37.601  13.956 -15.964
  168   HE22  GLN  21          HE22      GLN  21  35.923  13.401 -15.915
  169    H    ASN  22           HN       ASN  22  40.976  14.989 -11.073
  170    HA   ASN  22           HA       ASN  22  42.070  17.374 -12.585
  171    HB2  ASN  22           HB2      ASN  22  39.861  17.723 -11.417
  172    HB3  ASN  22           HB1      ASN  22  40.681  17.365  -9.880
  173   HD21  ASN  22          HD21      ASN  22  40.352  19.571  -9.085
  174   HD22  ASN  22          HD22      ASN  22  41.292  20.910  -9.756
  175    H    HIS  23           HN       HIS  23  42.381  15.115  -9.898
  176    HA   HIS  23           HA       HIS  23  44.056  14.897  -8.281
  177    HB2  HIS  23           HB2      HIS  23  46.295  14.627  -9.268
  178    HB3  HIS  23           HB1      HIS  23  45.052  13.876 -10.298
  179    HD1  HIS  23           HD1      HIS  23  47.301  16.943 -10.064
  180    HD2  HIS  23           HD2      HIS  23  44.839  14.991 -12.859
  181    HE1  HIS  23           HE1      HIS  23  47.649  18.092 -12.318
  182    H    HIS  24           HN       HIS  24  43.037  17.681  -8.706
  183    HA   HIS  24           HA       HIS  24  45.126  19.019  -7.123
  184    HB2  HIS  24           HB2      HIS  24  45.871  19.398  -9.487
  185    HB3  HIS  24           HB1      HIS  24  44.316  20.201  -9.808
  186    HD1  HIS  24           HD1      HIS  24  47.700  20.954  -8.840
  187    HD2  HIS  24           HD2      HIS  24  43.916  22.454  -7.784
  188    HE1  HIS  24           HE1      HIS  24  48.063  23.238  -7.752
  Start of MODEL   74
    1    H1   PHE   1           HT1      PHE   1  62.710   1.768   2.781
    2    H2   PHE   1           HT2      PHE   1  61.470   2.277   3.825
    3    H3   PHE   1           HT3      PHE   1  61.904   3.229   2.486
    4    HA   PHE   1           HA       PHE   1  60.812   1.983   1.019
    5    HB2  PHE   1           HB2      PHE   1  61.280  -0.351   2.916
    6    HB3  PHE   1           HB1      PHE   1  60.410  -0.460   1.366
    7    HD1  PHE   1           HD1      PHE   1  61.597  -0.052  -0.782
    8    HD2  PHE   1           HD2      PHE   1  63.696  -0.103   2.989
    9    HE1  PHE   1           HE1      PHE   1  63.764  -0.272  -1.992
   10    HE2  PHE   1           HE2      PHE   1  65.864  -0.323   1.779
   11    HZ   PHE   1           HZ       PHE   1  65.903  -0.320  -0.712
   12    H    LEU   2           HN       LEU   2  59.400   3.667   2.148
   13    HA   LEU   2           HA       LEU   2  57.461   2.673   4.089
   14    HB2  LEU   2           HB2      LEU   2  57.096   5.121   2.329
   15    HB3  LEU   2           HB1      LEU   2  56.513   4.840   3.987
   16    HG   LEU   2           HG       LEU   2  59.413   5.218   3.118
   17   HD11  LEU   2          HD11      LEU   2  58.034   7.285   3.202
   18   HD12  LEU   2          HD12      LEU   2  59.260   7.265   4.492
   19   HD13  LEU   2          HD13      LEU   2  57.560   6.893   4.871
   20   HD21  LEU   2          HD21      LEU   2  59.444   3.639   4.927
   21   HD22  LEU   2          HD22      LEU   2  58.147   4.494   5.795
   22   HD23  LEU   2          HD23      LEU   2  59.768   5.220   5.672
   23    H    GLY   3           HN       GLY   3  55.131   2.600   3.719
   24    HA2  GLY   3           HA1      GLY   3  54.489   0.893   1.513
   25    HA3  GLY   3           HA2      GLY   3  53.327   1.675   2.603
   26    H    ALA   4           HN       ALA   4  54.368   4.380   1.953
   27    HA   ALA   4           HA       ALA   4  52.659   4.825  -0.389
   28    HB1  ALA   4           HB1      ALA   4  52.621   6.421   1.434
   29    HB2  ALA   4           HB2      ALA   4  53.289   7.214  -0.013
   30    HB3  ALA   4           HB3      ALA   4  54.375   6.682   1.293
   31    H    LEU   5           HN       LEU   5  53.236   5.461  -2.426
   32    HA   LEU   5           HA       LEU   5  56.048   4.870  -3.194
   33    HB2  LEU   5           HB2      LEU   5  53.960   3.997  -4.420
   34    HB3  LEU   5           HB1      LEU   5  53.743   5.659  -5.006
   35    HG   LEU   5           HG       LEU   5  56.295   5.444  -5.739
   36   HD11  LEU   5          HD11      LEU   5  56.793   3.283  -4.719
   37   HD12  LEU   5          HD12      LEU   5  56.798   3.084  -6.485
   38   HD13  LEU   5          HD13      LEU   5  55.403   2.529  -5.532
   39   HD21  LEU   5          HD21      LEU   5  55.568   4.536  -7.934
   40   HD22  LEU   5          HD22      LEU   5  54.395   5.716  -7.301
   41   HD23  LEU   5          HD23      LEU   5  54.049   3.973  -7.195
   42    H    ILE   6           HN       ILE   6  56.121   7.078  -1.662
   43    HA   ILE   6           HA       ILE   6  56.625   9.374  -1.619
   44    HB   ILE   6           HB       ILE   6  57.629   9.140  -4.499
   45   HG12  ILE   6          HG12      ILE   6  58.860   7.771  -2.062
   46   HG13  ILE   6          HG11      ILE   6  58.221   6.968  -3.515
   47   HG21  ILE   6          HG21      ILE   6  59.317  10.632  -3.750
   48   HG22  ILE   6          HG22      ILE   6  59.073  10.204  -2.039
   49   HG23  ILE   6          HG23      ILE   6  57.865  11.191  -2.890
   50   HD11  ILE   6           HD1      ILE   6  59.925   8.370  -4.850
   51   HD12  ILE   6           HD2      ILE   6  60.585   7.061  -3.840
   52   HD13  ILE   6           HD3      ILE   6  60.674   8.748  -3.280
   53    H    LYS   7           HN       LYS   7  56.826  10.883  -4.346
   54    HA   LYS   7           HA       LYS   7  55.386  12.536  -5.151
   55    HB2  LYS   7           HB2      LYS   7  53.156  10.457  -4.885
   56    HB3  LYS   7           HB1      LYS   7  53.156  11.896  -5.934
   57    HG2  LYS   7           HG2      LYS   7  55.249  10.862  -7.062
   58    HG3  LYS   7           HG1      LYS   7  54.814   9.359  -6.214
   59    HD2  LYS   7           HD2      LYS   7  53.067  10.909  -8.179
   60    HD3  LYS   7           HD1      LYS   7  53.844   9.333  -8.465
   61    HE2  LYS   7           HE2      LYS   7  51.560   9.998  -6.576
   62    HE3  LYS   7           HE1      LYS   7  51.604   8.790  -7.883
   63    HZ1  LYS   7           HZ1      LYS   7  51.834   7.823  -5.637
   64    HZ2  LYS   7           HZ2      LYS   7  53.286   8.678  -5.429
   65    HZ3  LYS   7           HZ3      LYS   7  53.164   7.489  -6.635
   66    H    GLY   8           HN       GLY   8  56.080  11.723  -2.665
   67    HA2  GLY   8           HA1      GLY   8  55.718  11.694  -0.470
   68    HA3  GLY   8           HA2      GLY   8  55.334  13.436  -0.760
   69    H    ALA   9           HN       ALA   9  54.102  10.195  -0.267
   70    HA   ALA   9           HA       ALA   9  52.056   9.402   0.418
   71    HB1  ALA   9           HB1      ALA   9  52.622  11.006   2.296
   72    HB2  ALA   9           HB2      ALA   9  50.888  10.661   2.086
   73    HB3  ALA   9           HB3      ALA   9  51.570  12.195   1.494
   74    H    ILE  10           HN       ILE  10  51.897   9.716  -2.117
   75    HA   ILE  10           HA       ILE  10  50.678  10.492  -3.964
   76    HB   ILE  10           HB       ILE  10  48.160   9.946  -3.627
   77   HG12  ILE  10          HG12      ILE  10  49.248   8.912  -0.962
   78   HG13  ILE  10          HG11      ILE  10  48.217  10.349  -1.129
   79   HG21  ILE  10          HG21      ILE  10  50.165   7.779  -2.857
   80   HG22  ILE  10          HG22      ILE  10  49.920   8.363  -4.522
   81   HG23  ILE  10          HG23      ILE  10  48.595   7.553  -3.661
   82   HD11  ILE  10           HD1      ILE  10  46.656   8.658  -0.622
   83   HD12  ILE  10           HD2      ILE  10  47.514   7.436  -1.584
   84   HD13  ILE  10           HD3      ILE  10  46.579   8.714  -2.397
   85    H    HIS  11           HN       HIS  11  51.280  12.730  -3.835
   86    HA   HIS  11           HA       HIS  11  50.817  15.006  -3.668
   87    HB2  HIS  11           HB2      HIS  11  49.284  14.170  -5.504
   88    HB3  HIS  11           HB1      HIS  11  47.978  14.115  -4.298
   89    HD1  HIS  11           HD1      HIS  11  50.126  16.858  -3.377
   90    HD2  HIS  11           HD2      HIS  11  47.169  16.324  -6.317
   91    HE1  HIS  11           HE1      HIS  11  49.326  19.180  -4.083
   92    H    GLY  12           HN       GLY  12  50.227  13.187  -1.233
   93    HA2  GLY  12           HA1      GLY  12  49.709  13.729   0.972
   94    HA3  GLY  12           HA2      GLY  12  49.239  15.356   0.446
   95    H    GLY  13           HN       GLY  13  48.135  11.957   0.091
   96    HA2  GLY  13           HA1      GLY  13  45.993  11.084   0.103
   97    HA3  GLY  13           HA2      GLY  13  45.696  12.227   1.423
   98    H    ARG  14           HN       ARG  14  46.612  13.775  -1.470
   99    HA   ARG  14           HA       ARG  14  43.862  14.814  -1.784
  100    HB2  ARG  14           HB2      ARG  14  46.214  16.063  -1.964
  101    HB3  ARG  14           HB1      ARG  14  46.149  15.509  -3.651
  102    HG2  ARG  14           HG2      ARG  14  44.081  17.225  -2.198
  103    HG3  ARG  14           HG1      ARG  14  45.159  17.737  -3.516
  104    HD2  ARG  14           HD2      ARG  14  44.038  15.859  -4.916
  105    HD3  ARG  14           HD1      ARG  14  42.794  15.839  -3.641
  106    HE   ARG  14           HE       ARG  14  42.935  17.770  -5.719
  107   HH11  ARG  14          HH11      ARG  14  40.513  17.629  -4.129
  108   HH12  ARG  14          HH12      ARG  14  40.565  19.065  -3.161
  109   HH21  ARG  14          HH21      ARG  14  43.950  19.607  -3.676
  110   HH22  ARG  14          HH22      ARG  14  42.512  20.184  -2.905
  111    H    PHE  15           HN       PHE  15  46.307  13.212  -3.862
  112    HA   PHE  15           HA       PHE  15  44.541  12.811  -6.087
  113    HB2  PHE  15           HB2      PHE  15  47.079  12.689  -6.082
  114    HB3  PHE  15           HB1      PHE  15  46.930  11.092  -5.313
  115    HD1  PHE  15           HD1      PHE  15  45.496  13.019  -8.236
  116    HD2  PHE  15           HD2      PHE  15  46.878   9.209  -6.739
  117    HE1  PHE  15           HE1      PHE  15  45.122  12.000 -10.477
  118    HE2  PHE  15           HE2      PHE  15  46.502   8.196  -8.981
  119    HZ   PHE  15           HZ       PHE  15  45.608   9.585 -10.845
  120    H    ILE  16           HN       ILE  16  42.636  11.801  -5.843
  121    HA   ILE  16           HA       ILE  16  41.081  10.287  -4.929
  122    HB   ILE  16           HB       ILE  16  41.676   7.869  -5.722
  123   HG12  ILE  16          HG12      ILE  16  43.946   9.430  -7.042
  124   HG13  ILE  16          HG11      ILE  16  44.165   8.282  -5.703
  125   HG21  ILE  16          HG21      ILE  16  40.292   9.574  -6.997
  126   HG22  ILE  16          HG22      ILE  16  41.176   8.432  -8.032
  127   HG23  ILE  16          HG23      ILE  16  41.787  10.090  -7.812
  128   HD11  ILE  16           HD1      ILE  16  43.347   7.729  -8.569
  129   HD12  ILE  16           HD2      ILE  16  42.896   6.588  -7.279
  130   HD13  ILE  16           HD3      ILE  16  44.610   6.947  -7.594
  131    H    HIS  17           HN       HIS  17  41.485  10.776  -2.712
  132    HA   HIS  17           HA       HIS  17  41.971   8.424  -1.136
  133    HB2  HIS  17           HB2      HIS  17  44.326   8.799  -1.647
  134    HB3  HIS  17           HB1      HIS  17  44.180  10.512  -1.203
  135    HD1  HIS  17           HD1      HIS  17  43.898  11.095   1.350
  136    HD2  HIS  17           HD2      HIS  17  44.610   7.033   0.529
  137    HE1  HIS  17           HE1      HIS  17  44.462   9.958   3.568
  138    H    GLY  18           HN       GLY  18  42.227  12.020  -1.225
  139    HA2  GLY  18           HA1      GLY  18  41.401  12.551   1.434
  140    HA3  GLY  18           HA2      GLY  18  41.048  13.594   0.029
  141    H    MET  19           HN       MET  19  39.554  12.253  -1.537
  142    HA   MET  19           HA       MET  19  37.632  10.561  -0.746
  143    HB2  MET  19           HB2      MET  19  37.096  13.046   0.648
  144    HB3  MET  19           HB1      MET  19  35.778  12.735  -0.498
  145    HG2  MET  19           HG2      MET  19  35.434  10.500   0.471
  146    HG3  MET  19           HG1      MET  19  36.811  10.743   1.570
  147    HE1  MET  19           HE1      MET  19  32.578  12.448   1.788
  148    HE2  MET  19           HE2      MET  19  33.163  10.967   0.993
  149    HE3  MET  19           HE3      MET  19  33.548  12.561   0.300
  150    H    ILE  20           HN       ILE  20  38.258  10.071  -2.811
  151    HA   ILE  20           HA       ILE  20  37.877  10.045  -5.100
  152    HB   ILE  20           HB       ILE  20  35.564  12.006  -4.760
  153   HG12  ILE  20          HG12      ILE  20  35.596   9.006  -4.179
  154   HG13  ILE  20          HG11      ILE  20  35.193  10.306  -3.039
  155   HG21  ILE  20          HG21      ILE  20  35.792   9.576  -6.585
  156   HG22  ILE  20          HG22      ILE  20  36.448  11.159  -7.051
  157   HG23  ILE  20          HG23      ILE  20  34.709  10.979  -6.742
  158   HD11  ILE  20           HD1      ILE  20  33.084   9.464  -3.738
  159   HD12  ILE  20           HD2      ILE  20  33.599   9.343  -5.435
  160   HD13  ILE  20           HD3      ILE  20  33.308  10.941  -4.705
  161    H    GLN  21           HN       GLN  21  39.155  12.018  -3.296
  162    HA   GLN  21           HA       GLN  21  40.841  13.611  -3.881
  163    HB2  GLN  21           HB2      GLN  21  40.178  13.318  -6.420
  164    HB3  GLN  21           HB1      GLN  21  39.125  14.725  -6.140
  165    HG2  GLN  21           HG2      GLN  21  41.094  16.010  -5.310
  166    HG3  GLN  21           HG1      GLN  21  42.136  14.612  -5.668
  167   HE21  GLN  21          HE21      GLN  21  41.394  17.552  -6.924
  168   HE22  GLN  21          HE22      GLN  21  41.491  17.182  -8.649
  169    H    ASN  22           HN       ASN  22  38.566  13.385  -2.244
  170    HA   ASN  22           HA       ASN  22  37.076  14.622  -1.002
  171    HB2  ASN  22           HB2      ASN  22  39.145  15.271  -0.003
  172    HB3  ASN  22           HB1      ASN  22  39.402  16.541  -1.236
  173   HD21  ASN  22          HD21      ASN  22  39.381  18.275   0.384
  174   HD22  ASN  22          HD22      ASN  22  37.873  18.744   1.176
  175    H    HIS  23           HN       HIS  23  36.284  14.512  -3.505
  176    HA   HIS  23           HA       HIS  23  35.781  17.187  -4.608
  177    HB2  HIS  23           HB2      HIS  23  35.900  15.080  -5.974
  178    HB3  HIS  23           HB1      HIS  23  34.367  14.566  -5.230
  179    HD1  HIS  23           HD1      HIS  23  35.832  17.382  -7.372
  180    HD2  HIS  23           HD2      HIS  23  32.109  15.675  -6.419
  181    HE1  HIS  23           HE1      HIS  23  34.078  18.509  -8.848
  182    H    HIS  24           HN       HIS  24  33.777  18.272  -4.757
  183    HA   HIS  24           HA       HIS  24  31.845  19.139  -3.810
  184    HB2  HIS  24           HB2      HIS  24  30.976  16.965  -4.750
  185    HB3  HIS  24           HB1      HIS  24  31.205  16.240  -3.141
  186    HD1  HIS  24           HD1      HIS  24  29.823  17.366  -1.119
  187    HD2  HIS  24           HD2      HIS  24  28.605  18.394  -5.011
  188    HE1  HIS  24           HE1      HIS  24  27.511  18.436  -0.936
  Start of MODEL   75
    1    H1   PHE   1           HT1      PHE   1  63.426   3.153   1.406
    2    H2   PHE   1           HT2      PHE   1  63.890   1.790   0.503
    3    H3   PHE   1           HT3      PHE   1  64.355   1.936   2.131
    4    HA   PHE   1           HA       PHE   1  62.399   0.424   1.461
    5    HB2  PHE   1           HB2      PHE   1  62.418   2.384   3.790
    6    HB3  PHE   1           HB1      PHE   1  61.333   0.978   3.677
    7    HD1  PHE   1           HD1      PHE   1  64.864   2.080   4.015
    8    HD2  PHE   1           HD2      PHE   1  62.178  -1.298   3.917
    9    HE1  PHE   1           HE1      PHE   1  66.679   0.612   4.887
   10    HE2  PHE   1           HE2      PHE   1  63.994  -2.766   4.789
   11    HZ   PHE   1           HZ       PHE   1  66.263  -1.824   5.208
   12    H    LEU   2           HN       LEU   2  61.979   2.194  -0.551
   13    HA   LEU   2           HA       LEU   2  59.117   2.681  -0.284
   14    HB2  LEU   2           HB2      LEU   2  59.514   5.219  -0.966
   15    HB3  LEU   2           HB1      LEU   2  59.536   4.738   0.746
   16    HG   LEU   2           HG       LEU   2  61.979   4.626   0.738
   17   HD11  LEU   2          HD11      LEU   2  62.529   3.851  -1.451
   18   HD12  LEU   2          HD12      LEU   2  63.162   5.510  -1.390
   19   HD13  LEU   2          HD13      LEU   2  61.633   5.174  -2.236
   20   HD21  LEU   2          HD21      LEU   2  60.928   7.169  -0.583
   21   HD22  LEU   2          HD22      LEU   2  62.464   7.027   0.306
   22   HD23  LEU   2          HD23      LEU   2  60.917   6.817   1.162
   23    H    GLY   3           HN       GLY   3  58.351   3.977  -2.332
   24    HA2  GLY   3           HA1      GLY   3  59.685   4.253  -4.699
   25    HA3  GLY   3           HA2      GLY   3  59.468   2.492  -4.615
   26    H    ALA   4           HN       ALA   4  57.046   4.324  -3.012
   27    HA   ALA   4           HA       ALA   4  55.333   4.751  -5.329
   28    HB1  ALA   4           HB1      ALA   4  54.627   2.452  -3.471
   29    HB2  ALA   4           HB2      ALA   4  55.240   2.269  -5.132
   30    HB3  ALA   4           HB3      ALA   4  53.665   3.048  -4.845
   31    H    LEU   5           HN       LEU   5  55.908   4.534  -1.876
   32    HA   LEU   5           HA       LEU   5  53.402   5.856  -1.130
   33    HB2  LEU   5           HB2      LEU   5  55.973   5.146   0.322
   34    HB3  LEU   5           HB1      LEU   5  54.712   6.128   1.103
   35    HG   LEU   5           HG       LEU   5  53.063   4.355   0.792
   36   HD11  LEU   5          HD11      LEU   5  53.634   3.369  -1.301
   37   HD12  LEU   5          HD12      LEU   5  53.955   2.091  -0.109
   38   HD13  LEU   5          HD13      LEU   5  55.306   3.034  -0.788
   39   HD21  LEU   5          HD21      LEU   5  55.696   3.223   1.845
   40   HD22  LEU   5          HD22      LEU   5  54.065   2.630   2.243
   41   HD23  LEU   5          HD23      LEU   5  54.576   4.250   2.772
   42    H    ILE   6           HN       ILE   6  56.272   6.870  -2.594
   43    HA   ILE   6           HA       ILE   6  56.407   9.539  -1.298
   44    HB   ILE   6           HB       ILE   6  58.097  10.026  -3.049
   45   HG12  ILE   6          HG12      ILE   6  57.212   7.337  -4.197
   46   HG13  ILE   6          HG11      ILE   6  57.049   8.927  -4.974
   47   HG21  ILE   6          HG21      ILE   6  59.753   8.433  -2.366
   48   HG22  ILE   6          HG22      ILE   6  58.530   7.167  -2.101
   49   HG23  ILE   6          HG23      ILE   6  58.617   8.566  -1.004
   50   HD11  ILE   6           HD1      ILE   6  59.640   9.085  -4.746
   51   HD12  ILE   6           HD2      ILE   6  58.979   7.992  -5.987
   52   HD13  ILE   6           HD3      ILE   6  59.576   7.330  -4.448
   53    H    LYS   7           HN       LYS   7  56.868  10.950  -3.905
   54    HA   LYS   7           HA       LYS   7  55.495  12.482  -5.001
   55    HB2  LYS   7           HB2      LYS   7  54.664  10.288  -6.182
   56    HB3  LYS   7           HB1      LYS   7  53.306  10.350  -5.040
   57    HG2  LYS   7           HG2      LYS   7  52.425  11.507  -6.893
   58    HG3  LYS   7           HG1      LYS   7  53.029  12.840  -5.884
   59    HD2  LYS   7           HD2      LYS   7  55.049  13.025  -7.235
   60    HD3  LYS   7           HD1      LYS   7  54.634  11.554  -8.144
   61    HE2  LYS   7           HE2      LYS   7  54.079  13.663  -9.385
   62    HE3  LYS   7           HE1      LYS   7  52.657  12.634  -9.084
   63    HZ1  LYS   7           HZ1      LYS   7  52.696  15.212  -8.519
   64    HZ2  LYS   7           HZ2      LYS   7  53.316  14.627  -7.049
   65    HZ3  LYS   7           HZ3      LYS   7  51.800  14.099  -7.606
   66    H    GLY   8           HN       GLY   8  55.819  11.747  -2.416
   67    HA2  GLY   8           HA1      GLY   8  55.135  11.761  -0.309
   68    HA3  GLY   8           HA2      GLY   8  54.630  13.447  -0.713
   69    H    ALA   9           HN       ALA   9  53.663  10.099  -0.317
   70    HA   ALA   9           HA       ALA   9  51.622   9.117   0.097
   71    HB1  ALA   9           HB1      ALA   9  50.028  10.332   1.419
   72    HB2  ALA   9           HB2      ALA   9  50.672  11.895   0.864
   73    HB3  ALA   9           HB3      ALA   9  51.650  10.856   1.929
   74    H    ILE  10           HN       ILE  10  52.067   9.576  -2.509
   75    HA   ILE  10           HA       ILE  10  50.969   9.586  -4.520
   76    HB   ILE  10           HB       ILE  10  48.730   9.206  -2.619
   77   HG12  ILE  10          HG12      ILE  10  47.877   7.761  -4.527
   78   HG13  ILE  10          HG11      ILE  10  49.285   8.289  -5.473
   79   HG21  ILE  10          HG21      ILE  10  48.067  10.661  -5.214
   80   HG22  ILE  10          HG22      ILE  10  47.784  11.261  -3.561
   81   HG23  ILE  10          HG23      ILE  10  46.884   9.852  -4.161
   82   HD11  ILE  10           HD1      ILE  10  50.754   7.458  -3.566
   83   HD12  ILE  10           HD2      ILE  10  49.851   6.182  -4.415
   84   HD13  ILE  10           HD3      ILE  10  49.289   6.767  -2.832
   85    H    HIS  11           HN       HIS  11  49.656  12.114  -2.332
   86    HA   HIS  11           HA       HIS  11  50.731  14.218  -3.977
   87    HB2  HIS  11           HB2      HIS  11  48.850  13.511  -5.459
   88    HB3  HIS  11           HB1      HIS  11  47.714  13.829  -4.126
   89    HD1  HIS  11           HD1      HIS  11  50.412  15.669  -6.157
   90    HD2  HIS  11           HD2      HIS  11  46.927  16.486  -3.949
   91    HE1  HIS  11           HE1      HIS  11  49.873  18.147  -6.474
   92    H    GLY  12           HN       GLY  12  49.645  12.926  -1.204
   93    HA2  GLY  12           HA1      GLY  12  50.064  14.358   0.804
   94    HA3  GLY  12           HA2      GLY  12  49.057  15.609   0.047
   95    H    GLY  13           HN       GLY  13  48.124  12.303  -0.411
   96    HA2  GLY  13           HA1      GLY  13  46.301  11.113   0.365
   97    HA3  GLY  13           HA2      GLY  13  46.577  11.887   1.938
   98    H    ARG  14           HN       ARG  14  45.188  12.481  -1.303
   99    HA   ARG  14           HA       ARG  14  42.704  13.417  -0.172
  100    HB2  ARG  14           HB2      ARG  14  44.006  15.413   0.381
  101    HB3  ARG  14           HB1      ARG  14  44.619  15.512  -1.283
  102    HG2  ARG  14           HG2      ARG  14  42.749  17.116  -0.837
  103    HG3  ARG  14           HG1      ARG  14  42.367  15.969  -2.136
  104    HD2  ARG  14           HD2      ARG  14  40.569  16.426  -0.272
  105    HD3  ARG  14           HD1      ARG  14  40.857  14.749  -0.786
  106    HE   ARG  14           HE       ARG  14  42.553  15.506   1.456
  107   HH11  ARG  14          HH11      ARG  14  42.193  13.291   2.513
  108   HH12  ARG  14          HH12      ARG  14  40.589  13.081   3.133
  109   HH21  ARG  14          HH21      ARG  14  39.273  15.768   1.381
  110   HH22  ARG  14          HH22      ARG  14  38.937  14.484   2.493
  111    H    PHE  15           HN       PHE  15  44.898  12.735  -2.741
  112    HA   PHE  15           HA       PHE  15  43.528  13.542  -5.043
  113    HB2  PHE  15           HB2      PHE  15  45.745  12.273  -4.860
  114    HB3  PHE  15           HB1      PHE  15  44.779  10.787  -4.728
  115    HD1  PHE  15           HD1      PHE  15  45.047  13.890  -6.858
  116    HD2  PHE  15           HD2      PHE  15  44.198   9.659  -6.730
  117    HE1  PHE  15           HE1      PHE  15  44.796  13.864  -9.336
  118    HE2  PHE  15           HE2      PHE  15  43.948   9.636  -9.207
  119    HZ   PHE  15           HZ       PHE  15  44.197  11.748 -10.505
  120    H    ILE  16           HN       ILE  16  42.597  11.214  -2.646
  121    HA   ILE  16           HA       ILE  16  40.117  10.612  -4.228
  122    HB   ILE  16           HB       ILE  16  41.526   8.539  -2.489
  123   HG12  ILE  16          HG12      ILE  16  42.871   9.223  -4.593
  124   HG13  ILE  16          HG11      ILE  16  42.484   7.505  -4.406
  125   HG21  ILE  16          HG21      ILE  16  39.190   8.084  -2.697
  126   HG22  ILE  16          HG22      ILE  16  40.000   7.006  -3.858
  127   HG23  ILE  16          HG23      ILE  16  39.185   8.478  -4.432
  128   HD11  ILE  16           HD1      ILE  16  42.122   8.455  -6.742
  129   HD12  ILE  16           HD2      ILE  16  40.783   9.409  -6.074
  130   HD13  ILE  16           HD3      ILE  16  40.712   7.633  -6.038
  131    H    HIS  17           HN       HIS  17  41.456   9.663  -1.013
  132    HA   HIS  17           HA       HIS  17  39.780  11.527   0.416
  133    HB2  HIS  17           HB2      HIS  17  38.064   9.845  -0.483
  134    HB3  HIS  17           HB1      HIS  17  38.838   8.637   0.567
  135    HD1  HIS  17           HD1      HIS  17  38.611   8.926   3.152
  136    HD2  HIS  17           HD2      HIS  17  36.609  11.868   0.909
  137    HE1  HIS  17           HE1      HIS  17  37.050  10.170   4.748
  138    H    GLY  18           HN       GLY  18  42.099  11.635   1.083
  139    HA2  GLY  18           HA1      GLY  18  43.686  11.247   2.731
  140    HA3  GLY  18           HA2      GLY  18  42.449  10.357   3.622
  141    H    MET  19           HN       MET  19  44.075   9.886   0.506
  142    HA   MET  19           HA       MET  19  44.888   7.894  -0.261
  143    HB2  MET  19           HB2      MET  19  46.748   8.883   1.022
  144    HB3  MET  19           HB1      MET  19  46.258   7.834   2.364
  145    HG2  MET  19           HG2      MET  19  47.091   5.905   1.341
  146    HG3  MET  19           HG1      MET  19  46.782   6.509  -0.305
  147    HE1  MET  19           HE1      MET  19  50.557   5.913  -0.443
  148    HE2  MET  19           HE2      MET  19  48.915   5.397  -0.897
  149    HE3  MET  19           HE3      MET  19  49.556   5.004   0.715
  150    H    ILE  20           HN       ILE  20  42.430   7.663   1.428
  151    HA   ILE  20           HA       ILE  20  41.150   5.888   2.199
  152    HB   ILE  20           HB       ILE  20  43.046   4.289   0.398
  153   HG12  ILE  20          HG12      ILE  20  41.062   4.100  -1.026
  154   HG13  ILE  20          HG11      ILE  20  40.071   4.934   0.194
  155   HG21  ILE  20          HG21      ILE  20  42.407   2.717   2.088
  156   HG22  ILE  20          HG22      ILE  20  41.292   2.439   0.731
  157   HG23  ILE  20          HG23      ILE  20  40.747   3.357   2.157
  158   HD11  ILE  20           HD1      ILE  20  41.123   7.019  -0.194
  159   HD12  ILE  20           HD2      ILE  20  40.992   6.323  -1.824
  160   HD13  ILE  20           HD3      ILE  20  42.546   6.270  -0.961
  161    H    GLN  21           HN       GLN  21  44.435   6.422   2.683
  162    HA   GLN  21           HA       GLN  21  44.590   4.428   4.981
  163    HB2  GLN  21           HB2      GLN  21  46.442   4.573   3.193
  164    HB3  GLN  21           HB1      GLN  21  46.844   6.158   3.892
  165    HG2  GLN  21           HG2      GLN  21  47.120   5.080   6.126
  166    HG3  GLN  21           HG1      GLN  21  46.790   3.497   5.381
  167   HE21  GLN  21          HE21      GLN  21  48.257   4.620   2.835
  168   HE22  GLN  21          HE22      GLN  21  49.960   4.397   3.250
  169    H    ASN  22           HN       ASN  22  45.021   7.884   4.080
  170    HA   ASN  22           HA       ASN  22  45.242   8.670   6.911
  171    HB2  ASN  22           HB2      ASN  22  45.184  10.091   4.222
  172    HB3  ASN  22           HB1      ASN  22  44.959  11.012   5.732
  173   HD21  ASN  22          HD21      ASN  22  47.292   9.271   3.723
  174   HD22  ASN  22          HD22      ASN  22  48.698   9.631   4.730
  175    H    HIS  23           HN       HIS  23  42.901   8.200   4.332
  176    HA   HIS  23           HA       HIS  23  40.581   8.432   4.342
  177    HB2  HIS  23           HB2      HIS  23  40.716   6.829   6.183
  178    HB3  HIS  23           HB1      HIS  23  40.975   8.147   7.347
  179    HD1  HIS  23           HD1      HIS  23  38.946   9.475   8.151
  180    HD2  HIS  23           HD2      HIS  23  38.037   6.734   5.093
  181    HE1  HIS  23           HE1      HIS  23  36.402   9.394   7.934
  182    H    HIS  24           HN       HIS  24  40.826   9.950   7.536
  183    HA   HIS  24           HA       HIS  24  40.823  12.670   6.555
  184    HB2  HIS  24           HB2      HIS  24  38.527  11.874   5.825
  185    HB3  HIS  24           HB1      HIS  24  38.131  11.659   7.546
  186    HD1  HIS  24           HD1      HIS  24  36.617  13.581   8.104
  187    HD2  HIS  24           HD2      HIS  24  39.922  14.784   5.803
  188    HE1  HIS  24           HE1      HIS  24  36.567  16.132   7.976
  Start of MODEL   76
    1    H1   PHE   1           HT1      PHE   1  62.930  -1.765  -6.654
    2    H2   PHE   1           HT2      PHE   1  61.378  -1.318  -7.180
    3    H3   PHE   1           HT3      PHE   1  61.579  -2.097  -5.684
    4    HA   PHE   1           HA       PHE   1  62.719  -0.252  -4.779
    5    HB2  PHE   1           HB2      PHE   1  62.403   0.884  -7.584
    6    HB3  PHE   1           HB1      PHE   1  62.912   1.836  -6.168
    7    HD1  PHE   1           HD1      PHE   1  65.077   1.401  -5.061
    8    HD2  PHE   1           HD2      PHE   1  63.874  -0.796  -8.577
    9    HE1  PHE   1           HE1      PHE   1  67.417   0.603  -5.362
   10    HE2  PHE   1           HE2      PHE   1  66.215  -1.594  -8.878
   11    HZ   PHE   1           HZ       PHE   1  68.000  -0.833  -7.314
   12    H    LEU   2           HN       LEU   2  61.673   1.930  -4.259
   13    HA   LEU   2           HA       LEU   2  58.868   1.444  -3.762
   14    HB2  LEU   2           HB2      LEU   2  60.719   3.823  -3.405
   15    HB3  LEU   2           HB1      LEU   2  58.978   3.964  -3.071
   16    HG   LEU   2           HG       LEU   2  59.100   2.162  -1.424
   17   HD11  LEU   2          HD11      LEU   2  61.973   1.943  -2.403
   18   HD12  LEU   2          HD12      LEU   2  60.734   0.668  -2.322
   19   HD13  LEU   2          HD13      LEU   2  61.462   1.295  -0.826
   20   HD21  LEU   2          HD21      LEU   2  61.412   4.112  -1.021
   21   HD22  LEU   2          HD22      LEU   2  60.496   3.272   0.254
   22   HD23  LEU   2          HD23      LEU   2  59.698   4.508  -0.750
   23    H    GLY   3           HN       GLY   3  57.097   2.892  -4.397
   24    HA2  GLY   3           HA1      GLY   3  57.329   4.609  -6.687
   25    HA3  GLY   3           HA2      GLY   3  56.782   3.000  -7.197
   26    H    ALA   4           HN       ALA   4  56.056   4.483  -4.069
   27    HA   ALA   4           HA       ALA   4  53.462   5.503  -4.855
   28    HB1  ALA   4           HB1      ALA   4  53.440   2.902  -3.289
   29    HB2  ALA   4           HB2      ALA   4  53.070   3.028  -5.025
   30    HB3  ALA   4           HB3      ALA   4  52.034   3.848  -3.831
   31    H    LEU   5           HN       LEU   5  55.746   4.379  -2.428
   32    HA   LEU   5           HA       LEU   5  54.371   5.674  -0.193
   33    HB2  LEU   5           HB2      LEU   5  57.102   4.409  -0.600
   34    HB3  LEU   5           HB1      LEU   5  56.708   5.279   0.902
   35    HG   LEU   5           HG       LEU   5  54.748   3.800   1.248
   36   HD11  LEU   5          HD11      LEU   5  55.699   2.616  -1.389
   37   HD12  LEU   5          HD12      LEU   5  54.069   3.181  -0.950
   38   HD13  LEU   5          HD13      LEU   5  54.707   1.679  -0.246
   39   HD21  LEU   5          HD21      LEU   5  57.328   2.264   0.698
   40   HD22  LEU   5          HD22      LEU   5  56.016   1.753   1.785
   41   HD23  LEU   5          HD23      LEU   5  56.983   3.194   2.174
   42    H    ILE   6           HN       ILE   6  55.310   7.147  -2.778
   43    HA   ILE   6           HA       ILE   6  56.221   9.583  -1.284
   44    HB   ILE   6           HB       ILE   6  58.088  10.011  -2.855
   45   HG12  ILE   6          HG12      ILE   6  57.359   7.274  -4.005
   46   HG13  ILE   6          HG11      ILE   6  57.239   8.837  -4.844
   47   HG21  ILE   6          HG21      ILE   6  59.666   8.446  -1.958
   48   HG22  ILE   6          HG22      ILE   6  58.422   7.184  -1.779
   49   HG23  ILE   6          HG23      ILE   6  58.397   8.618  -0.725
   50   HD11  ILE   6           HD1      ILE   6  59.733   7.313  -4.027
   51   HD12  ILE   6           HD2      ILE   6  59.794   9.062  -4.356
   52   HD13  ILE   6           HD3      ILE   6  59.283   7.932  -5.632
   53    H    LYS   7           HN       LYS   7  56.948  10.901  -3.862
   54    HA   LYS   7           HA       LYS   7  55.700  12.388  -5.153
   55    HB2  LYS   7           HB2      LYS   7  55.025  10.178  -6.366
   56    HB3  LYS   7           HB1      LYS   7  53.541  10.239  -5.384
   57    HG2  LYS   7           HG2      LYS   7  53.222  12.632  -6.260
   58    HG3  LYS   7           HG1      LYS   7  54.515  12.280  -7.426
   59    HD2  LYS   7           HD2      LYS   7  51.985  10.597  -7.124
   60    HD3  LYS   7           HD1      LYS   7  52.172  11.899  -8.317
   61    HE2  LYS   7           HE2      LYS   7  53.765   9.308  -8.133
   62    HE3  LYS   7           HE1      LYS   7  52.694   9.839  -9.448
   63    HZ1  LYS   7           HZ1      LYS   7  54.227  11.737  -9.791
   64    HZ2  LYS   7           HZ2      LYS   7  54.945  10.227 -10.091
   65    HZ3  LYS   7           HZ3      LYS   7  55.287  11.061  -8.651
   66    H    GLY   8           HN       GLY   8  55.739  11.739  -2.526
   67    HA2  GLY   8           HA1      GLY   8  54.831  11.818  -0.510
   68    HA3  GLY   8           HA2      GLY   8  54.370  13.485  -1.025
   69    H    ALA   9           HN       ALA   9  53.370  10.150  -0.621
   70    HA   ALA   9           HA       ALA   9  51.295   9.149  -0.535
   71    HB1  ALA   9           HB1      ALA   9  51.212  10.498   1.513
   72    HB2  ALA   9           HB2      ALA   9  49.598  10.371   0.772
   73    HB3  ALA   9           HB3      ALA   9  50.545  11.866   0.592
   74    H    ILE  10           HN       ILE  10  51.863  10.014  -3.066
   75    HA   ILE  10           HA       ILE  10  50.818  10.280  -5.088
   76    HB   ILE  10           HB       ILE  10  48.571   9.520  -3.341
   77   HG12  ILE  10          HG12      ILE  10  47.755   8.453  -5.505
   78   HG13  ILE  10          HG11      ILE  10  49.152   9.192  -6.319
   79   HG21  ILE  10          HG21      ILE  10  46.705  10.398  -4.710
   80   HG22  ILE  10          HG22      ILE  10  47.847  11.410  -5.619
   81   HG23  ILE  10          HG23      ILE  10  47.582  11.702  -3.880
   82   HD11  ILE  10           HD1      ILE  10  49.513   6.798  -5.553
   83   HD12  ILE  10           HD2      ILE  10  49.382   7.376  -3.877
   84   HD13  ILE  10           HD3      ILE  10  50.704   7.952  -4.918
   85    H    HIS  11           HN       HIS  11  49.445  12.433  -2.581
   86    HA   HIS  11           HA       HIS  11  50.290  14.768  -4.169
   87    HB2  HIS  11           HB2      HIS  11  48.083  14.258  -5.157
   88    HB3  HIS  11           HB1      HIS  11  47.348  14.264  -3.535
   89    HD1  HIS  11           HD1      HIS  11  46.768  16.505  -2.485
   90    HD2  HIS  11           HD2      HIS  11  49.110  16.892  -5.957
   91    HE1  HIS  11           HE1      HIS  11  46.813  18.984  -3.102
   92    H    GLY  12           HN       GLY  12  49.404  13.110  -1.336
   93    HA2  GLY  12           HA1      GLY  12  50.554  14.237   0.675
   94    HA3  GLY  12           HA2      GLY  12  49.508  15.627   0.316
   95    H    GLY  13           HN       GLY  13  48.548  12.248  -0.075
   96    HA2  GLY  13           HA1      GLY  13  46.881  11.030   0.969
   97    HA3  GLY  13           HA2      GLY  13  47.329  11.875   2.467
   98    H    ARG  14           HN       ARG  14  45.776  12.682  -0.659
   99    HA   ARG  14           HA       ARG  14  43.503  13.910   0.902
  100    HB2  ARG  14           HB2      ARG  14  45.274  15.478  -0.355
  101    HB3  ARG  14           HB1      ARG  14  44.331  15.029  -1.792
  102    HG2  ARG  14           HG2      ARG  14  43.280  16.344   0.756
  103    HG3  ARG  14           HG1      ARG  14  43.410  17.089  -0.853
  104    HD2  ARG  14           HD2      ARG  14  41.857  15.180  -1.666
  105    HD3  ARG  14           HD1      ARG  14  41.531  14.883   0.057
  106    HE   ARG  14           HE       ARG  14  41.184  17.685  -0.714
  107   HH11  ARG  14          HH11      ARG  14  39.775  14.550  -0.885
  108   HH12  ARG  14          HH12      ARG  14  38.153  15.118  -0.668
  109   HH21  ARG  14          HH21      ARG  14  39.084  18.435  -0.274
  110   HH22  ARG  14          HH22      ARG  14  37.762  17.317  -0.323
  111    H    PHE  15           HN       PHE  15  44.574  12.773  -2.339
  112    HA   PHE  15           HA       PHE  15  41.929  12.234  -3.294
  113    HB2  PHE  15           HB2      PHE  15  44.051  12.381  -4.686
  114    HB3  PHE  15           HB1      PHE  15  44.466  10.761  -4.085
  115    HD1  PHE  15           HD1      PHE  15  43.003   8.801  -4.612
  116    HD2  PHE  15           HD2      PHE  15  42.306  12.696  -6.338
  117    HE1  PHE  15           HE1      PHE  15  41.533   7.772  -6.340
  118    HE2  PHE  15           HE2      PHE  15  40.833  11.667  -8.066
  119    HZ   PHE  15           HZ       PHE  15  40.519   9.195  -8.116
  120    H    ILE  16           HN       ILE  16  44.392   9.728  -2.603
  121    HA   ILE  16           HA       ILE  16  42.219   7.902  -1.713
  122    HB   ILE  16           HB       ILE  16  43.990   7.081  -3.259
  123   HG12  ILE  16          HG12      ILE  16  44.077   5.758  -0.507
  124   HG13  ILE  16          HG11      ILE  16  42.775   5.556  -1.702
  125   HG21  ILE  16          HG21      ILE  16  46.029   7.003  -1.029
  126   HG22  ILE  16          HG22      ILE  16  45.804   8.546  -1.885
  127   HG23  ILE  16          HG23      ILE  16  46.267   7.085  -2.787
  128   HD11  ILE  16           HD1      ILE  16  45.697   4.754  -1.990
  129   HD12  ILE  16           HD2      ILE  16  44.551   4.776  -3.350
  130   HD13  ILE  16           HD3      ILE  16  44.275   3.686  -1.971
  131    H    HIS  17           HN       HIS  17  41.929   9.634  -0.003
  132    HA   HIS  17           HA       HIS  17  43.168   8.622   2.488
  133    HB2  HIS  17           HB2      HIS  17  44.760  10.375   1.793
  134    HB3  HIS  17           HB1      HIS  17  43.423  11.541   1.651
  135    HD1  HIS  17           HD1      HIS  17  45.139   9.315   4.264
  136    HD2  HIS  17           HD2      HIS  17  42.704  12.741   4.063
  137    HE1  HIS  17           HE1      HIS  17  44.985  10.280   6.625
  138    H    GLY  18           HN       GLY  18  41.327  11.472   1.235
  139    HA2  GLY  18           HA1      GLY  18  39.514  11.502   3.477
  140    HA3  GLY  18           HA2      GLY  18  39.229  12.252   1.881
  141    H    MET  19           HN       MET  19  39.043  10.583   0.099
  142    HA   MET  19           HA       MET  19  38.243   8.031   0.367
  143    HB2  MET  19           HB2      MET  19  36.127   9.629   1.531
  144    HB3  MET  19           HB1      MET  19  35.503   8.865   0.058
  145    HG2  MET  19           HG2      MET  19  36.077   6.660   0.876
  146    HG3  MET  19           HG1      MET  19  36.973   7.344   2.254
  147    HE1  MET  19           HE1      MET  19  35.365   5.282   2.998
  148    HE2  MET  19           HE2      MET  19  34.049   5.753   4.099
  149    HE3  MET  19           HE3      MET  19  35.696   6.372   4.366
  150    H    ILE  20           HN       ILE  20  39.423   8.063  -1.473
  151    HA   ILE  20           HA       ILE  20  39.651   8.158  -3.781
  152    HB   ILE  20           HB       ILE  20  36.645   8.590  -4.068
  153   HG12  ILE  20          HG12      ILE  20  38.116   5.996  -3.396
  154   HG13  ILE  20          HG11      ILE  20  36.863   6.793  -2.419
  155   HG21  ILE  20          HG21      ILE  20  36.924   7.463  -6.158
  156   HG22  ILE  20          HG22      ILE  20  38.515   6.816  -5.696
  157   HG23  ILE  20          HG23      ILE  20  38.327   8.546  -6.048
  158   HD11  ILE  20           HD1      ILE  20  35.329   6.525  -4.494
  159   HD12  ILE  20           HD2      ILE  20  35.707   5.059  -3.559
  160   HD13  ILE  20           HD3      ILE  20  36.557   5.381  -5.089
  161    H    GLN  21           HN       GLN  21  39.283  10.319  -1.783
  162    HA   GLN  21           HA       GLN  21  39.968  12.617  -2.031
  163    HB2  GLN  21           HB2      GLN  21  40.027  12.285  -4.654
  164    HB3  GLN  21           HB1      GLN  21  38.355  12.884  -4.609
  165    HG2  GLN  21           HG2      GLN  21  39.201  14.893  -3.309
  166    HG3  GLN  21           HG1      GLN  21  40.856  14.322  -3.631
  167   HE21  GLN  21          HE21      GLN  21  37.862  14.458  -5.698
  168   HE22  GLN  21          HE22      GLN  21  38.648  15.355  -7.002
  169    H    ASN  22           HN       ASN  22  37.850  11.049  -0.946
  170    HA   ASN  22           HA       ASN  22  35.726  11.216  -0.069
  171    HB2  ASN  22           HB2      ASN  22  36.932  12.758   1.342
  172    HB3  ASN  22           HB1      ASN  22  36.651  14.093   0.186
  173   HD21  ASN  22          HD21      ASN  22  35.062  15.452   1.040
  174   HD22  ASN  22          HD22      ASN  22  33.580  14.884   1.814
  175    H    HIS  23           HN       HIS  23  35.698  11.034  -2.719
  176    HA   HIS  23           HA       HIS  23  34.307  11.399  -4.550
  177    HB2  HIS  23           HB2      HIS  23  32.425  12.709  -2.548
  178    HB3  HIS  23           HB1      HIS  23  31.998  12.031  -4.135
  179    HD1  HIS  23           HD1      HIS  23  32.318   9.384  -4.434
  180    HD2  HIS  23           HD2      HIS  23  32.440  10.834  -0.490
  181    HE1  HIS  23           HE1      HIS  23  32.062   7.375  -2.876
  182    H    HIS  24           HN       HIS  24  33.608  12.968  -6.090
  183    HA   HIS  24           HA       HIS  24  33.956  14.970  -7.216
  184    HB2  HIS  24           HB2      HIS  24  32.124  15.626  -5.651
  185    HB3  HIS  24           HB1      HIS  24  33.353  16.184  -4.491
  186    HD1  HIS  24           HD1      HIS  24  33.022  16.660  -8.301
  187    HD2  HIS  24           HD2      HIS  24  33.543  18.916  -4.790
  188    HE1  HIS  24           HE1      HIS  24  33.227  19.111  -8.994
  Start of MODEL   77
    1    H1   PHE   1           HT1      PHE   1  63.184   2.607 -11.016
    2    H2   PHE   1           HT2      PHE   1  62.642   1.190 -10.252
    3    H3   PHE   1           HT3      PHE   1  63.391   2.416  -9.346
    4    HA   PHE   1           HA       PHE   1  61.316   3.635 -10.647
    5    HB2  PHE   1           HB2      PHE   1  60.354   1.120  -9.236
    6    HB3  PHE   1           HB1      PHE   1  59.388   2.308 -10.146
    7    HD1  PHE   1           HD1      PHE   1  59.642   2.497 -12.633
    8    HD2  PHE   1           HD2      PHE   1  61.581  -0.627 -10.371
    9    HE1  PHE   1           HE1      PHE   1  60.028   1.214 -14.734
   10    HE2  PHE   1           HE2      PHE   1  61.966  -1.910 -12.473
   11    HZ   PHE   1           HZ       PHE   1  61.184  -0.991 -14.654
   12    H    LEU   2           HN       LEU   2  59.481   4.030  -8.840
   13    HA   LEU   2           HA       LEU   2  60.923   5.266  -6.651
   14    HB2  LEU   2           HB2      LEU   2  57.924   4.800  -6.736
   15    HB3  LEU   2           HB1      LEU   2  58.820   6.141  -5.984
   16    HG   LEU   2           HG       LEU   2  58.527   5.583  -8.970
   17   HD11  LEU   2          HD11      LEU   2  57.656   7.969  -7.282
   18   HD12  LEU   2          HD12      LEU   2  56.580   6.628  -7.741
   19   HD13  LEU   2          HD13      LEU   2  57.286   7.673  -8.997
   20   HD21  LEU   2          HD21      LEU   2  60.230   7.583  -7.421
   21   HD22  LEU   2          HD22      LEU   2  59.755   7.855  -9.116
   22   HD23  LEU   2          HD23      LEU   2  60.747   6.443  -8.687
   23    H    GLY   3           HN       GLY   3  61.335   4.589  -4.643
   24    HA2  GLY   3           HA1      GLY   3  61.147   1.832  -3.985
   25    HA3  GLY   3           HA2      GLY   3  61.483   3.148  -2.844
   26    H    ALA   4           HN       ALA   4  58.929   4.521  -3.424
   27    HA   ALA   4           HA       ALA   4  56.806   2.639  -2.726
   28    HB1  ALA   4           HB1      ALA   4  58.055   2.837  -0.567
   29    HB2  ALA   4           HB2      ALA   4  56.377   3.426  -0.478
   30    HB3  ALA   4           HB3      ALA   4  57.723   4.585  -0.583
   31    H    LEU   5           HN       LEU   5  54.913   4.164  -1.662
   32    HA   LEU   5           HA       LEU   5  54.311   6.022  -3.842
   33    HB2  LEU   5           HB2      LEU   5  52.723   5.684  -1.276
   34    HB3  LEU   5           HB1      LEU   5  52.140   6.157  -2.890
   35    HG   LEU   5           HG       LEU   5  53.236   3.425  -2.085
   36   HD11  LEU   5          HD11      LEU   5  50.459   4.235  -3.045
   37   HD12  LEU   5          HD12      LEU   5  50.897   4.059  -1.329
   38   HD13  LEU   5          HD13      LEU   5  50.964   2.649  -2.415
   39   HD21  LEU   5          HD21      LEU   5  52.385   4.603  -4.765
   40   HD22  LEU   5          HD22      LEU   5  52.381   2.849  -4.463
   41   HD23  LEU   5          HD23      LEU   5  53.901   3.764  -4.361
   42    H    ILE   6           HN       ILE   6  55.977   7.603  -3.620
   43    HA   ILE   6           HA       ILE   6  55.925   9.286  -1.120
   44    HB   ILE   6           HB       ILE   6  57.514   9.900  -3.667
   45   HG12  ILE   6          HG12      ILE   6  58.144   7.631  -3.371
   46   HG13  ILE   6          HG11      ILE   6  59.414   8.553  -2.542
   47   HG21  ILE   6          HG21      ILE   6  58.721  10.261  -0.943
   48   HG22  ILE   6          HG22      ILE   6  57.282  11.254  -1.252
   49   HG23  ILE   6          HG23      ILE   6  58.688  11.367  -2.332
   50   HD11  ILE   6           HD1      ILE   6  57.869   8.194  -0.399
   51   HD12  ILE   6           HD2      ILE   6  58.935   6.888  -0.954
   52   HD13  ILE   6           HD3      ILE   6  57.205   6.851  -1.354
   53    H    LYS   7           HN       LYS   7  56.681  11.658  -2.937
   54    HA   LYS   7           HA       LYS   7  55.406  13.568  -3.375
   55    HB2  LYS   7           HB2      LYS   7  53.499  11.518  -4.619
   56    HB3  LYS   7           HB1      LYS   7  53.309  13.281  -4.771
   57    HG2  LYS   7           HG2      LYS   7  55.679  13.322  -5.747
   58    HG3  LYS   7           HG1      LYS   7  55.575  11.548  -5.840
   59    HD2  LYS   7           HD2      LYS   7  53.707  13.553  -7.185
   60    HD3  LYS   7           HD1      LYS   7  54.913  12.523  -7.992
   61    HE2  LYS   7           HE2      LYS   7  52.314  11.708  -6.653
   62    HE3  LYS   7           HE1      LYS   7  52.886  11.337  -8.295
   63    HZ1  LYS   7           HZ1      LYS   7  54.817  10.210  -6.906
   64    HZ2  LYS   7           HZ2      LYS   7  53.381   9.386  -7.286
   65    HZ3  LYS   7           HZ3      LYS   7  53.585  10.078  -5.748
   66    H    GLY   8           HN       GLY   8  55.465  11.827  -1.304
   67    HA2  GLY   8           HA1      GLY   8  54.559  10.991   0.540
   68    HA3  GLY   8           HA2      GLY   8  54.129  12.723   0.833
   69    H    ALA   9           HN       ALA   9  53.041   9.725  -0.720
   70    HA   ALA   9           HA       ALA   9  50.970   8.721  -0.742
   71    HB1  ALA   9           HB1      ALA   9  50.816   9.830   1.628
   72    HB2  ALA   9           HB2      ALA   9  49.329   9.245   0.845
   73    HB3  ALA   9           HB3      ALA   9  49.716  10.980   0.836
   74    H    ILE  10           HN       ILE  10  51.386   9.477  -2.986
   75    HA   ILE  10           HA       ILE  10  50.815  10.719  -4.897
   76    HB   ILE  10           HB       ILE  10  48.192  10.416  -5.265
   77   HG12  ILE  10          HG12      ILE  10  48.720   8.617  -2.846
   78   HG13  ILE  10          HG11      ILE  10  47.767  10.114  -2.789
   79   HG21  ILE  10          HG21      ILE  10  49.959   7.970  -4.799
   80   HG22  ILE  10          HG22      ILE  10  50.035   8.996  -6.251
   81   HG23  ILE  10          HG23      ILE  10  48.556   8.086  -5.885
   82   HD11  ILE  10           HD1      ILE  10  46.382   8.999  -4.750
   83   HD12  ILE  10           HD2      ILE  10  46.097   8.480  -3.073
   84   HD13  ILE  10           HD3      ILE  10  47.105   7.487  -4.148
   85    H    HIS  11           HN       HIS  11  47.636  11.506  -3.766
   86    HA   HIS  11           HA       HIS  11  47.555  14.107  -4.576
   87    HB2  HIS  11           HB2      HIS  11  45.825  14.512  -2.852
   88    HB3  HIS  11           HB1      HIS  11  45.612  12.953  -3.680
   89    HD1  HIS  11           HD1      HIS  11  45.209  11.026  -2.156
   90    HD2  HIS  11           HD2      HIS  11  47.368  14.100  -0.267
   91    HE1  HIS  11           HE1      HIS  11  45.639  10.286   0.252
   92    H    GLY  12           HN       GLY  12  49.549  12.965  -1.979
   93    HA2  GLY  12           HA1      GLY  12  49.701  15.177  -0.269
   94    HA3  GLY  12           HA2      GLY  12  51.090  14.170  -0.716
   95    H    GLY  13           HN       GLY  13  50.328  15.044  -3.608
   96    HA2  GLY  13           HA1      GLY  13  51.105  17.871  -3.641
   97    HA3  GLY  13           HA2      GLY  13  52.371  16.757  -4.199
   98    H    ARG  14           HN       ARG  14  50.620  14.788  -5.349
   99    HA   ARG  14           HA       ARG  14  50.445  15.658  -7.988
  100    HB2  ARG  14           HB2      ARG  14  50.154  13.297  -7.079
  101    HB3  ARG  14           HB1      ARG  14  48.472  13.735  -6.726
  102    HG2  ARG  14           HG2      ARG  14  48.378  12.708  -8.873
  103    HG3  ARG  14           HG1      ARG  14  48.290  14.449  -9.201
  104    HD2  ARG  14           HD2      ARG  14  50.515  14.534 -10.012
  105    HD3  ARG  14           HD1      ARG  14  50.970  13.008  -9.218
  106    HE   ARG  14           HE       ARG  14  49.572  13.286 -11.795
  107   HH11  ARG  14          HH11      ARG  14  48.052  11.329 -10.037
  108   HH12  ARG  14          HH12      ARG  14  48.806   9.831 -10.464
  109   HH21  ARG  14          HH21      ARG  14  51.553  11.336 -11.953
  110   HH22  ARG  14          HH22      ARG  14  50.789   9.834 -11.549
  111    H    PHE  15           HN       PHE  15  47.779  15.612  -5.602
  112    HA   PHE  15           HA       PHE  15  45.756  16.681  -7.196
  113    HB2  PHE  15           HB2      PHE  15  45.618  15.885  -4.772
  114    HB3  PHE  15           HB1      PHE  15  46.204  17.499  -4.304
  115    HD1  PHE  15           HD1      PHE  15  43.382  15.562  -5.681
  116    HD2  PHE  15           HD2      PHE  15  44.835  19.521  -4.760
  117    HE1  PHE  15           HE1      PHE  15  41.071  16.465  -5.914
  118    HE2  PHE  15           HE2      PHE  15  42.525  20.423  -4.991
  119    HZ   PHE  15           HZ       PHE  15  40.659  18.909  -5.648
  120    H    ILE  16           HN       ILE  16  48.561  18.310  -5.811
  121    HA   ILE  16           HA       ILE  16  47.592  20.870  -7.084
  122    HB   ILE  16           HB       ILE  16  48.834  22.121  -5.389
  123   HG12  ILE  16          HG12      ILE  16  49.323  19.354  -4.183
  124   HG13  ILE  16          HG11      ILE  16  50.558  20.475  -4.800
  125   HG21  ILE  16          HG21      ILE  16  46.986  20.152  -3.983
  126   HG22  ILE  16          HG22      ILE  16  46.380  21.390  -5.109
  127   HG23  ILE  16          HG23      ILE  16  47.230  21.878  -3.625
  128   HD11  ILE  16           HD1      ILE  16  50.610  20.793  -2.448
  129   HD12  ILE  16           HD2      ILE  16  48.837  20.747  -2.314
  130   HD13  ILE  16           HD3      ILE  16  49.638  22.159  -3.045
  131    H    HIS  17           HN       HIS  17  49.107  18.799  -8.358
  132    HA   HIS  17           HA       HIS  17  51.544  20.427  -8.999
  133    HB2  HIS  17           HB2      HIS  17  52.133  18.384  -7.525
  134    HB3  HIS  17           HB1      HIS  17  51.628  17.388  -8.905
  135    HD1  HIS  17           HD1      HIS  17  52.956  20.404 -10.317
  136    HD2  HIS  17           HD2      HIS  17  54.689  16.973  -8.610
  137    HE1  HIS  17           HE1      HIS  17  55.368  20.275 -11.149
  138    H    GLY  18           HN       GLY  18  49.047  18.053  -9.780
  139    HA2  GLY  18           HA1      GLY  18  49.622  17.529 -12.491
  140    HA3  GLY  18           HA2      GLY  18  47.974  17.702 -11.824
  141    H    MET  19           HN       MET  19  47.951  20.214 -10.974
  142    HA   MET  19           HA       MET  19  48.777  22.330 -12.383
  143    HB2  MET  19           HB2      MET  19  47.061  20.735 -14.159
  144    HB3  MET  19           HB1      MET  19  46.559  22.423 -14.034
  145    HG2  MET  19           HG2      MET  19  49.478  21.795 -14.563
  146    HG3  MET  19           HG1      MET  19  48.299  21.729 -15.893
  147    HE1  MET  19           HE1      MET  19  50.203  25.084 -16.386
  148    HE2  MET  19           HE2      MET  19  49.403  23.770 -17.282
  149    HE3  MET  19           HE3      MET  19  50.653  23.390 -16.073
  150    H    ILE  20           HN       ILE  20  47.424  21.064 -10.071
  151    HA   ILE  20           HA       ILE  20  45.892  21.741  -8.486
  152    HB   ILE  20           HB       ILE  20  46.236  24.438  -9.904
  153   HG12  ILE  20          HG12      ILE  20  47.463  25.013  -7.843
  154   HG13  ILE  20          HG11      ILE  20  47.113  23.405  -7.169
  155   HG21  ILE  20          HG21      ILE  20  44.043  24.594  -8.998
  156   HG22  ILE  20          HG22      ILE  20  45.086  25.304  -7.745
  157   HG23  ILE  20          HG23      ILE  20  44.477  23.641  -7.558
  158   HD11  ILE  20           HD1      ILE  20  48.538  23.681  -9.838
  159   HD12  ILE  20           HD2      ILE  20  48.547  22.311  -8.703
  160   HD13  ILE  20           HD3      ILE  20  49.437  23.797  -8.308
  161    H    GLN  21           HN       GLN  21  45.596  21.574 -11.790
  162    HA   GLN  21           HA       GLN  21  42.543  21.507 -11.567
  163    HB2  GLN  21           HB2      GLN  21  44.207  22.597 -13.868
  164    HB3  GLN  21           HB1      GLN  21  42.440  22.383 -13.878
  165    HG2  GLN  21           HG2      GLN  21  42.214  23.930 -11.979
  166    HG3  GLN  21           HG1      GLN  21  43.983  24.108 -11.891
  167   HE21  GLN  21          HE21      GLN  21  41.321  25.760 -12.929
  168   HE22  GLN  21          HE22      GLN  21  42.018  26.605 -14.315
  169    H    ASN  22           HN       ASN  22  45.494  19.872 -12.544
  170    HA   ASN  22           HA       ASN  22  43.845  17.956 -14.201
  171    HB2  ASN  22           HB2      ASN  22  46.849  18.378 -14.026
  172    HB3  ASN  22           HB1      ASN  22  46.057  17.099 -14.966
  173   HD21  ASN  22          HD21      ASN  22  47.631  18.941 -16.370
  174   HD22  ASN  22          HD22      ASN  22  46.580  20.023 -17.290
  175    H    HIS  23           HN       HIS  23  45.987  18.304 -11.374
  176    HA   HIS  23           HA       HIS  23  46.453  16.764  -9.682
  177    HB2  HIS  23           HB2      HIS  23  44.092  17.007  -9.201
  178    HB3  HIS  23           HB1      HIS  23  43.658  15.869 -10.493
  179    HD1  HIS  23           HD1      HIS  23  46.652  14.875  -8.540
  180    HD2  HIS  23           HD2      HIS  23  42.501  14.239  -8.348
  181    HE1  HIS  23           HE1      HIS  23  46.255  12.923  -6.939
  182    H    HIS  24           HN       HIS  24  44.516  14.165 -10.798
  183    HA   HIS  24           HA       HIS  24  46.853  12.485 -11.185
  184    HB2  HIS  24           HB2      HIS  24  45.170  10.755 -11.820
  185    HB3  HIS  24           HB1      HIS  24  44.783  11.558 -10.279
  186    HD1  HIS  24           HD1      HIS  24  42.777  13.228 -10.229
  187    HD2  HIS  24           HD2      HIS  24  43.325  11.257 -13.903
  188    HE1  HIS  24           HE1      HIS  24  40.693  13.661 -11.644
  Start of MODEL   78
    1    H1   PHE   1           HT1      PHE   1  54.181   0.055 -12.667
    2    H2   PHE   1           HT2      PHE   1  55.721   0.572 -12.171
    3    H3   PHE   1           HT3      PHE   1  54.641   1.671 -12.886
    4    HA   PHE   1           HA       PHE   1  53.579   2.075 -11.025
    5    HB2  PHE   1           HB2      PHE   1  52.505  -0.154 -11.151
    6    HB3  PHE   1           HB1      PHE   1  53.910  -0.872 -10.329
    7    HD1  PHE   1           HD1      PHE   1  51.327   1.842  -9.941
    8    HD2  PHE   1           HD2      PHE   1  53.965  -0.940  -7.955
    9    HE1  PHE   1           HE1      PHE   1  50.341   2.474  -7.741
   10    HE2  PHE   1           HE2      PHE   1  52.977  -0.307  -5.758
   11    HZ   PHE   1           HZ       PHE   1  51.135   1.366  -5.656
   12    H    LEU   2           HN       LEU   2  54.112   2.650  -8.867
   13    HA   LEU   2           HA       LEU   2  56.987   2.795  -8.428
   14    HB2  LEU   2           HB2      LEU   2  54.852   3.463  -6.374
   15    HB3  LEU   2           HB1      LEU   2  56.459   4.198  -6.592
   16    HG   LEU   2           HG       LEU   2  54.075   4.437  -8.481
   17   HD11  LEU   2          HD11      LEU   2  55.561   6.475  -6.764
   18   HD12  LEU   2          HD12      LEU   2  53.937   5.823  -6.435
   19   HD13  LEU   2          HD13      LEU   2  54.215   6.837  -7.872
   20   HD21  LEU   2          HD21      LEU   2  55.665   6.113  -9.637
   21   HD22  LEU   2          HD22      LEU   2  56.026   4.389  -9.874
   22   HD23  LEU   2          HD23      LEU   2  56.975   5.344  -8.710
   23    H    GLY   3           HN       GLY   3  56.831   2.602  -5.500
   24    HA2  GLY   3           HA1      GLY   3  56.054  -0.078  -4.776
   25    HA3  GLY   3           HA2      GLY   3  57.788  -0.014  -5.150
   26    H    ALA   4           HN       ALA   4  56.183   2.811  -3.861
   27    HA   ALA   4           HA       ALA   4  56.648   2.208  -1.070
   28    HB1  ALA   4           HB1      ALA   4  59.009   2.421  -1.911
   29    HB2  ALA   4           HB2      ALA   4  58.573   3.593  -0.642
   30    HB3  ALA   4           HB3      ALA   4  58.643   4.108  -2.345
   31    H    LEU   5           HN       LEU   5  55.692   4.176  -3.693
   32    HA   LEU   5           HA       LEU   5  54.439   6.129  -3.806
   33    HB2  LEU   5           HB2      LEU   5  53.548   5.514  -0.968
   34    HB3  LEU   5           HB1      LEU   5  52.637   6.326  -2.262
   35    HG   LEU   5           HG       LEU   5  53.509   3.399  -2.257
   36   HD11  LEU   5          HD11      LEU   5  51.664   3.979  -0.668
   37   HD12  LEU   5          HD12      LEU   5  51.120   2.926  -1.996
   38   HD13  LEU   5          HD13      LEU   5  50.744   4.665  -2.028
   39   HD21  LEU   5          HD21      LEU   5  51.877   3.372  -4.272
   40   HD22  LEU   5          HD22      LEU   5  53.469   4.118  -4.541
   41   HD23  LEU   5          HD23      LEU   5  52.039   5.145  -4.277
   42    H    ILE   6           HN       ILE   6  55.850   7.800  -3.910
   43    HA   ILE   6           HA       ILE   6  56.182   9.393  -1.393
   44    HB   ILE   6           HB       ILE   6  58.658   9.657  -1.794
   45   HG12  ILE   6          HG12      ILE   6  58.221   7.354  -3.754
   46   HG13  ILE   6          HG11      ILE   6  58.742   9.006  -4.164
   47   HG21  ILE   6          HG21      ILE   6  57.617   7.949  -0.173
   48   HG22  ILE   6          HG22      ILE   6  59.301   7.646  -0.657
   49   HG23  ILE   6          HG23      ILE   6  57.981   6.713  -1.400
   50   HD11  ILE   6           HD1      ILE   6  60.272   6.857  -2.660
   51   HD12  ILE   6           HD2      ILE   6  60.723   8.575  -2.526
   52   HD13  ILE   6           HD3      ILE   6  60.764   7.762  -4.110
   53    H    LYS   7           HN       LYS   7  54.683   9.602  -3.806
   54    HA   LYS   7           HA       LYS   7  55.940  12.057  -4.994
   55    HB2  LYS   7           HB2      LYS   7  53.120  10.919  -5.395
   56    HB3  LYS   7           HB1      LYS   7  53.897  12.194  -6.362
   57    HG2  LYS   7           HG2      LYS   7  55.028   9.372  -6.158
   58    HG3  LYS   7           HG1      LYS   7  53.853   9.842  -7.406
   59    HD2  LYS   7           HD2      LYS   7  55.448  11.728  -8.052
   60    HD3  LYS   7           HD1      LYS   7  56.644  10.984  -6.965
   61    HE2  LYS   7           HE2      LYS   7  55.336   9.702  -9.399
   62    HE3  LYS   7           HE1      LYS   7  57.046  10.162  -9.217
   63    HZ1  LYS   7           HZ1      LYS   7  57.347   8.522  -7.555
   64    HZ2  LYS   7           HZ2      LYS   7  56.530   7.756  -8.832
   65    HZ3  LYS   7           HZ3      LYS   7  55.684   8.214  -7.432
   66    H    GLY   8           HN       GLY   8  55.625  11.282  -2.421
   67    HA2  GLY   8           HA1      GLY   8  55.116  11.722  -0.397
   68    HA3  GLY   8           HA2      GLY   8  54.812  13.431  -0.916
   69    H    ALA   9           HN       ALA   9  53.425  10.193  -0.671
   70    HA   ALA   9           HA       ALA   9  51.288   9.431  -0.363
   71    HB1  ALA   9           HB1      ALA   9  49.763  10.936   0.997
   72    HB2  ALA   9           HB2      ALA   9  51.063  12.150   0.968
   73    HB3  ALA   9           HB3      ALA   9  51.336  10.573   1.743
   74    H    ILE  10           HN       ILE  10  51.393   9.696  -2.802
   75    HA   ILE  10           HA       ILE  10  50.515  10.459  -4.793
   76    HB   ILE  10           HB       ILE  10  47.774  10.901  -4.382
   77   HG12  ILE  10          HG12      ILE  10  48.791   9.094  -2.128
   78   HG13  ILE  10          HG11      ILE  10  47.903  10.628  -1.961
   79   HG21  ILE  10          HG21      ILE  10  47.453   8.626  -5.110
   80   HG22  ILE  10          HG22      ILE  10  49.025   8.120  -4.451
   81   HG23  ILE  10          HG23      ILE  10  48.953   9.186  -5.873
   82   HD11  ILE  10           HD1      ILE  10  46.216   9.009  -1.667
   83   HD12  ILE  10           HD2      ILE  10  46.889   7.940  -2.921
   84   HD13  ILE  10           HD3      ILE  10  46.053   9.440  -3.386
   85    H    HIS  11           HN       HIS  11  47.991  12.349  -3.258
   86    HA   HIS  11           HA       HIS  11  49.400  14.844  -4.215
   87    HB2  HIS  11           HB2      HIS  11  47.281  14.246  -5.400
   88    HB3  HIS  11           HB1      HIS  11  46.420  14.341  -3.847
   89    HD1  HIS  11           HD1      HIS  11  45.163  16.321  -5.404
   90    HD2  HIS  11           HD2      HIS  11  48.947  17.131  -3.766
   91    HE1  HIS  11           HE1      HIS  11  45.496  18.854  -5.466
   92    H    GLY  12           HN       GLY  12  49.791  13.489  -1.653
   93    HA2  GLY  12           HA1      GLY  12  50.166  14.297   0.504
   94    HA3  GLY  12           HA2      GLY  12  49.364  15.819   0.064
   95    H    GLY  13           HN       GLY  13  48.267  12.408   0.016
   96    HA2  GLY  13           HA1      GLY  13  46.345  11.467   0.899
   97    HA3  GLY  13           HA2      GLY  13  46.675  12.467   2.329
   98    H    ARG  14           HN       ARG  14  46.214  13.986  -0.768
   99    HA   ARG  14           HA       ARG  14  43.738  15.277   0.267
  100    HB2  ARG  14           HB2      ARG  14  45.524  16.647  -0.788
  101    HB3  ARG  14           HB1      ARG  14  45.325  15.733  -2.296
  102    HG2  ARG  14           HG2      ARG  14  44.090  17.846  -2.441
  103    HG3  ARG  14           HG1      ARG  14  42.943  16.492  -2.425
  104    HD2  ARG  14           HD2      ARG  14  42.206  16.975  -0.243
  105    HD3  ARG  14           HD1      ARG  14  43.711  17.825   0.190
  106    HE   ARG  14           HE       ARG  14  42.366  19.237  -1.926
  107   HH11  ARG  14          HH11      ARG  14  42.378  21.419  -0.933
  108   HH12  ARG  14          HH12      ARG  14  41.459  21.580   0.525
  109   HH21  ARG  14          HH21      ARG  14  41.089  18.163   0.981
  110   HH22  ARG  14          HH22      ARG  14  40.728  19.736   1.609
  111    H    PHE  15           HN       PHE  15  44.841  12.875  -2.028
  112    HA   PHE  15           HA       PHE  15  42.684  12.796  -3.839
  113    HB2  PHE  15           HB2      PHE  15  44.769  11.369  -3.882
  114    HB3  PHE  15           HB1      PHE  15  44.023  10.356  -2.622
  115    HD1  PHE  15           HD1      PHE  15  42.211   8.834  -3.138
  116    HD2  PHE  15           HD2      PHE  15  43.704  11.555  -6.138
  117    HE1  PHE  15           HE1      PHE  15  40.923   7.612  -4.886
  118    HE2  PHE  15           HE2      PHE  15  42.416  10.332  -7.887
  119    HZ   PHE  15           HZ       PHE  15  41.069   8.329  -7.268
  120    H    ILE  16           HN       ILE  16  42.955  11.254  -0.608
  121    HA   ILE  16           HA       ILE  16  40.382   9.990  -0.729
  122    HB   ILE  16           HB       ILE  16  41.829  10.922   1.791
  123   HG12  ILE  16          HG12      ILE  16  42.101   8.315   0.224
  124   HG13  ILE  16          HG11      ILE  16  43.311   9.618   0.252
  125   HG21  ILE  16          HG21      ILE  16  39.944   8.576   1.284
  126   HG22  ILE  16          HG22      ILE  16  39.435  10.122   2.000
  127   HG23  ILE  16          HG23      ILE  16  40.605   9.092   2.851
  128   HD11  ILE  16           HD1      ILE  16  44.118   8.144   1.906
  129   HD12  ILE  16           HD2      ILE  16  42.486   7.738   2.483
  130   HD13  ILE  16           HD3      ILE  16  43.200   9.323   2.872
  131    H    HIS  17           HN       HIS  17  40.986  12.459   1.803
  132    HA   HIS  17           HA       HIS  17  38.923  14.241   0.645
  133    HB2  HIS  17           HB2      HIS  17  38.343  12.504   3.069
  134    HB3  HIS  17           HB1      HIS  17  37.461  14.014   2.743
  135    HD1  HIS  17           HD1      HIS  17  37.623  10.431   1.840
  136    HD2  HIS  17           HD2      HIS  17  35.992  13.942   0.198
  137    HE1  HIS  17           HE1      HIS  17  35.970   9.726   0.025
  138    H    GLY  18           HN       GLY  18  41.740  14.222   1.655
  139    HA2  GLY  18           HA1      GLY  18  42.402  16.612   2.430
  140    HA3  GLY  18           HA2      GLY  18  41.528  16.172   3.920
  141    H    MET  19           HN       MET  19  42.063  13.653   4.277
  142    HA   MET  19           HA       MET  19  44.505  12.556   3.922
  143    HB2  MET  19           HB2      MET  19  44.884  14.885   5.624
  144    HB3  MET  19           HB1      MET  19  45.254  13.421   6.555
  145    HG2  MET  19           HG2      MET  19  46.776  12.689   4.690
  146    HG3  MET  19           HG1      MET  19  46.467  14.244   3.880
  147    HE1  MET  19           HE1      MET  19  49.105  13.865   3.967
  148    HE2  MET  19           HE2      MET  19  49.976  15.022   5.003
  149    HE3  MET  19           HE3      MET  19  48.689  15.595   3.913
  150    H    ILE  20           HN       ILE  20  43.037  10.913   3.882
  151    HA   ILE  20           HA       ILE  20  41.882   9.140   4.837
  152    HB   ILE  20           HB       ILE  20  43.403   9.923   7.384
  153   HG12  ILE  20          HG12      ILE  20  44.697   7.803   6.808
  154   HG13  ILE  20          HG11      ILE  20  43.824   7.762   5.260
  155   HG21  ILE  20          HG21      ILE  20  41.669   8.689   8.336
  156   HG22  ILE  20          HG22      ILE  20  42.705   7.338   7.848
  157   HG23  ILE  20          HG23      ILE  20  41.323   7.803   6.834
  158   HD11  ILE  20           HD1      ILE  20  44.920   9.691   4.453
  159   HD12  ILE  20           HD2      ILE  20  46.205   8.900   5.388
  160   HD13  ILE  20           HD3      ILE  20  45.320  10.274   6.086
  161    H    GLN  21           HN       GLN  21  41.372  12.065   4.855
  162    HA   GLN  21           HA       GLN  21  39.271  13.168   5.114
  163    HB2  GLN  21           HB2      GLN  21  38.289  10.923   6.111
  164    HB3  GLN  21           HB1      GLN  21  38.687  11.644   7.688
  165    HG2  GLN  21           HG2      GLN  21  37.349  13.658   7.087
  166    HG3  GLN  21           HG1      GLN  21  36.918  12.894   5.538
  167   HE21  GLN  21          HE21      GLN  21  34.944  13.640   7.542
  168   HE22  GLN  21          HE22      GLN  21  34.220  12.141   8.134
  169    H    ASN  22           HN       ASN  22  41.955  13.458   5.876
  170    HA   ASN  22           HA       ASN  22  43.349  14.614   7.291
  171    HB2  ASN  22           HB2      ASN  22  42.259  16.424   6.164
  172    HB3  ASN  22           HB1      ASN  22  40.893  16.386   7.317
  173   HD21  ASN  22          HD21      ASN  22  44.501  16.244   7.788
  174   HD22  ASN  22          HD22      ASN  22  44.542  17.602   8.919
  175    H    HIS  23           HN       HIS  23  42.489  12.491   8.502
  176    HA   HIS  23           HA       HIS  23  41.078  12.909  10.974
  177    HB2  HIS  23           HB2      HIS  23  41.497  10.681   9.953
  178    HB3  HIS  23           HB1      HIS  23  43.228  10.849  10.335
  179    HD1  HIS  23           HD1      HIS  23  41.457  12.462  13.012
  180    HD2  HIS  23           HD2      HIS  23  42.359   8.469  12.053
  181    HE1  HIS  23           HE1      HIS  23  41.153  11.082  15.140
  182    H    HIS  24           HN       HIS  24  44.605  12.334  10.541
  183    HA   HIS  24           HA       HIS  24  45.349  13.103  13.156
  184    HB2  HIS  24           HB2      HIS  24  46.821  11.968  11.470
  185    HB3  HIS  24           HB1      HIS  24  46.975  13.523  10.618
  186    HD1  HIS  24           HD1      HIS  24  49.225  14.458  11.162
  187    HD2  HIS  24           HD2      HIS  24  47.392  12.711  14.519
  188    HE1  HIS  24           HE1      HIS  24  50.739  14.899  13.171
  Start of MODEL   79
    1    H1   PHE   1           HT1      PHE   1  58.671  -1.501  -2.986
    2    H2   PHE   1           HT2      PHE   1  57.320  -0.728  -3.668
    3    H3   PHE   1           HT3      PHE   1  57.770  -0.402  -2.062
    4    HA   PHE   1           HA       PHE   1  59.942   0.060  -3.777
    5    HB2  PHE   1           HB2      PHE   1  57.452   1.705  -4.364
    6    HB3  PHE   1           HB1      PHE   1  59.054   1.854  -5.127
    7    HD1  PHE   1           HD1      PHE   1  59.871   0.140  -6.705
    8    HD2  PHE   1           HD2      PHE   1  55.943  -0.128  -4.938
    9    HE1  PHE   1           HE1      PHE   1  59.229  -1.574  -8.394
   10    HE2  PHE   1           HE2      PHE   1  55.300  -1.843  -6.627
   11    HZ   PHE   1           HZ       PHE   1  56.928  -2.532  -8.384
   12    H    LEU   2           HN       LEU   2  60.818   0.444  -1.713
   13    HA   LEU   2           HA       LEU   2  61.399   1.776   0.087
   14    HB2  LEU   2           HB2      LEU   2  61.447   3.448  -1.943
   15    HB3  LEU   2           HB1      LEU   2  59.962   4.106  -1.226
   16    HG   LEU   2           HG       LEU   2  61.417   4.126   1.024
   17   HD11  LEU   2          HD11      LEU   2  63.396   2.987   0.100
   18   HD12  LEU   2          HD12      LEU   2  63.810   4.660   0.532
   19   HD13  LEU   2          HD13      LEU   2  63.539   4.223  -1.171
   20   HD21  LEU   2          HD21      LEU   2  61.780   6.112  -1.267
   21   HD22  LEU   2          HD22      LEU   2  62.213   6.434   0.430
   22   HD23  LEU   2          HD23      LEU   2  60.513   6.150  -0.016
   23    H    GLY   3           HN       GLY   3  58.577   0.551  -0.283
   24    HA2  GLY   3           HA1      GLY   3  56.661   0.410   1.003
   25    HA3  GLY   3           HA2      GLY   3  57.595   1.184   2.299
   26    H    ALA   4           HN       ALA   4  57.330   2.920  -0.678
   27    HA   ALA   4           HA       ALA   4  54.839   4.280  -0.087
   28    HB1  ALA   4           HB1      ALA   4  56.141   5.247   1.737
   29    HB2  ALA   4           HB2      ALA   4  55.821   6.481   0.495
   30    HB3  ALA   4           HB3      ALA   4  57.426   5.717   0.599
   31    H    LEU   5           HN       LEU   5  54.092   4.963  -1.976
   32    HA   LEU   5           HA       LEU   5  55.832   4.986  -4.315
   33    HB2  LEU   5           HB2      LEU   5  53.019   6.122  -4.175
   34    HB3  LEU   5           HB1      LEU   5  53.852   5.383  -5.563
   35    HG   LEU   5           HG       LEU   5  52.953   3.958  -3.019
   36   HD11  LEU   5          HD11      LEU   5  51.446   2.754  -4.583
   37   HD12  LEU   5          HD12      LEU   5  52.042   3.761  -5.925
   38   HD13  LEU   5          HD13      LEU   5  51.126   4.505  -4.592
   39   HD21  LEU   5          HD21      LEU   5  54.568   3.046  -5.436
   40   HD22  LEU   5          HD22      LEU   5  53.670   1.899  -4.414
   41   HD23  LEU   5          HD23      LEU   5  54.976   2.878  -3.712
   42    H    ILE   6           HN       ILE   6  55.998   7.022  -1.907
   43    HA   ILE   6           HA       ILE   6  56.431   9.319  -1.635
   44    HB   ILE   6           HB       ILE   6  57.417   9.395  -4.531
   45   HG12  ILE   6          HG12      ILE   6  58.701   7.840  -2.237
   46   HG13  ILE   6          HG11      ILE   6  58.086   7.162  -3.762
   47   HG21  ILE   6          HG21      ILE   6  57.599  11.296  -2.750
   48   HG22  ILE   6          HG22      ILE   6  59.069  10.858  -3.648
   49   HG23  ILE   6          HG23      ILE   6  58.835  10.272  -1.983
   50   HD11  ILE   6           HD1      ILE   6  60.486   8.981  -3.346
   51   HD12  ILE   6           HD2      ILE   6  59.745   8.746  -4.949
   52   HD13  ILE   6           HD3      ILE   6  60.443   7.360  -4.078
   53    H    LYS   7           HN       LYS   7  56.555  11.080  -4.224
   54    HA   LYS   7           HA       LYS   7  55.052  12.755  -4.858
   55    HB2  LYS   7           HB2      LYS   7  52.824  10.669  -4.714
   56    HB3  LYS   7           HB1      LYS   7  52.884  12.125  -5.735
   57    HG2  LYS   7           HG2      LYS   7  54.762   9.733  -5.996
   58    HG3  LYS   7           HG1      LYS   7  53.338  10.027  -7.023
   59    HD2  LYS   7           HD2      LYS   7  54.383  12.317  -7.565
   60    HD3  LYS   7           HD1      LYS   7  55.872  11.703  -6.806
   61    HE2  LYS   7           HE2      LYS   7  54.443  10.643  -9.269
   62    HE3  LYS   7           HE1      LYS   7  56.120  11.222  -9.129
   63    HZ1  LYS   7           HZ1      LYS   7  56.422   8.970  -9.035
   64    HZ2  LYS   7           HZ2      LYS   7  54.943   8.672  -8.254
   65    HZ3  LYS   7           HZ3      LYS   7  56.256   9.303  -7.380
   66    H    GLY   8           HN       GLY   8  55.817  11.748  -2.465
   67    HA2  GLY   8           HA1      GLY   8  55.488  11.507  -0.276
   68    HA3  GLY   8           HA2      GLY   8  55.067  13.259  -0.402
   69    H    ALA   9           HN       ALA   9  53.877   9.956  -0.275
   70    HA   ALA   9           HA       ALA   9  51.880   9.066   0.424
   71    HB1  ALA   9           HB1      ALA   9  50.690  10.156   2.177
   72    HB2  ALA   9           HB2      ALA   9  51.261  11.762   1.665
   73    HB3  ALA   9           HB3      ALA   9  52.400  10.601   2.388
   74    H    ILE  10           HN       ILE  10  51.602   9.359  -2.034
   75    HA   ILE  10           HA       ILE  10  50.364  10.147  -3.862
   76    HB   ILE  10           HB       ILE  10  47.837   9.690  -3.456
   77   HG12  ILE  10          HG12      ILE  10  48.957   8.664  -0.801
   78   HG13  ILE  10          HG11      ILE  10  47.957  10.124  -0.970
   79   HG21  ILE  10          HG21      ILE  10  49.533   8.035  -4.363
   80   HG22  ILE  10          HG22      ILE  10  48.189   7.287  -3.475
   81   HG23  ILE  10          HG23      ILE  10  49.780   7.464  -2.696
   82   HD11  ILE  10           HD1      ILE  10  47.175   7.221  -1.361
   83   HD12  ILE  10           HD2      ILE  10  46.256   8.508  -2.176
   84   HD13  ILE  10           HD3      ILE  10  46.367   8.480  -0.403
   85    H    HIS  11           HN       HIS  11  51.059  12.359  -3.755
   86    HA   HIS  11           HA       HIS  11  50.719  14.656  -3.530
   87    HB2  HIS  11           HB2      HIS  11  49.277  13.906  -5.468
   88    HB3  HIS  11           HB1      HIS  11  47.895  13.897  -4.349
   89    HD1  HIS  11           HD1      HIS  11  50.169  16.536  -3.338
   90    HD2  HIS  11           HD2      HIS  11  47.229  16.157  -6.319
   91    HE1  HIS  11           HE1      HIS  11  49.498  18.896  -4.050
   92    H    GLY  12           HN       GLY  12  49.966  12.907  -1.139
   93    HA2  GLY  12           HA1      GLY  12  49.027  13.212   0.953
   94    HA3  GLY  12           HA2      GLY  12  49.263  14.945   0.654
   95    H    GLY  13           HN       GLY  13  47.032  12.208   0.229
   96    HA2  GLY  13           HA1      GLY  13  44.732  12.182  -0.096
   97    HA3  GLY  13           HA2      GLY  13  44.733  13.501   1.092
   98    H    ARG  14           HN       ARG  14  45.031  12.743  -2.368
   99    HA   ARG  14           HA       ARG  14  43.248  14.886  -3.097
  100    HB2  ARG  14           HB2      ARG  14  45.502  16.078  -2.507
  101    HB3  ARG  14           HB1      ARG  14  46.097  15.376  -4.021
  102    HG2  ARG  14           HG2      ARG  14  45.274  17.573  -4.559
  103    HG3  ARG  14           HG1      ARG  14  44.093  16.409  -5.197
  104    HD2  ARG  14           HD2      ARG  14  42.454  17.031  -3.657
  105    HD3  ARG  14           HD1      ARG  14  43.635  17.446  -2.393
  106    HE   ARG  14           HE       ARG  14  43.654  19.642  -3.240
  107   HH11  ARG  14          HH11      ARG  14  44.331  18.503  -6.066
  108   HH12  ARG  14          HH12      ARG  14  43.068  19.240  -6.991
  109   HH21  ARG  14          HH21      ARG  14  41.194  20.138  -4.216
  110   HH22  ARG  14          HH22      ARG  14  41.292  20.166  -5.945
  111    H    PHE  15           HN       PHE  15  46.178  13.244  -4.386
  112    HA   PHE  15           HA       PHE  15  45.421  12.917  -7.039
  113    HB2  PHE  15           HB2      PHE  15  47.565  12.129  -5.879
  114    HB3  PHE  15           HB1      PHE  15  46.667  10.665  -5.417
  115    HD1  PHE  15           HD1      PHE  15  47.291  12.809  -8.470
  116    HD2  PHE  15           HD2      PHE  15  46.794   8.819  -6.890
  117    HE1  PHE  15           HE1      PHE  15  47.733  11.858 -10.728
  118    HE2  PHE  15           HE2      PHE  15  47.235   7.873  -9.150
  119    HZ   PHE  15           HZ       PHE  15  47.761   9.390 -11.055
  120    H    ILE  16           HN       ILE  16  44.358  11.050  -4.232
  121    HA   ILE  16           HA       ILE  16  42.011  10.081  -5.788
  122    HB   ILE  16           HB       ILE  16  42.325   7.770  -4.685
  123   HG12  ILE  16          HG12      ILE  16  45.169   8.861  -4.410
  124   HG13  ILE  16          HG11      ILE  16  44.078   8.434  -3.074
  125   HG21  ILE  16          HG21      ILE  16  42.736   8.327  -7.140
  126   HG22  ILE  16          HG22      ILE  16  43.658   6.939  -6.522
  127   HG23  ILE  16          HG23      ILE  16  44.456   8.515  -6.733
  128   HD11  ILE  16           HD1      ILE  16  43.987   6.067  -4.218
  129   HD12  ILE  16           HD2      ILE  16  45.432   6.510  -3.279
  130   HD13  ILE  16           HD3      ILE  16  45.465   6.604  -5.054
  131    H    HIS  17           HN       HIS  17  41.629  12.052  -4.298
  132    HA   HIS  17           HA       HIS  17  40.275  10.986  -1.882
  133    HB2  HIS  17           HB2      HIS  17  42.607  11.618  -1.138
  134    HB3  HIS  17           HB1      HIS  17  42.256  13.283  -1.658
  135    HD1  HIS  17           HD1      HIS  17  40.243  14.537  -0.425
  136    HD2  HIS  17           HD2      HIS  17  41.567  10.972   1.370
  137    HE1  HIS  17           HE1      HIS  17  39.273  14.468   1.938
  138    H    GLY  18           HN       GLY  18  41.319  14.050  -3.509
  139    HA2  GLY  18           HA1      GLY  18  38.932  15.495  -2.836
  140    HA3  GLY  18           HA2      GLY  18  40.001  15.838  -4.224
  141    H    MET  19           HN       MET  19  39.953  13.974  -5.839
  142    HA   MET  19           HA       MET  19  37.955  12.301  -6.359
  143    HB2  MET  19           HB2      MET  19  36.792  14.973  -6.614
  144    HB3  MET  19           HB1      MET  19  36.675  14.082  -8.145
  145    HG2  MET  19           HG2      MET  19  35.825  12.877  -5.482
  146    HG3  MET  19           HG1      MET  19  34.716  13.805  -6.519
  147    HE1  MET  19           HE1      MET  19  33.537  10.183  -7.103
  148    HE2  MET  19           HE2      MET  19  32.990  11.875  -7.048
  149    HE3  MET  19           HE3      MET  19  33.897  11.188  -5.680
  150    H    ILE  20           HN       ILE  20  39.875  11.444  -7.030
  151    HA   ILE  20           HA       ILE  20  41.368  10.851  -8.710
  152    HB   ILE  20           HB       ILE  20  39.707  12.404 -10.745
  153   HG12  ILE  20          HG12      ILE  20  39.114   9.651  -9.558
  154   HG13  ILE  20          HG11      ILE  20  38.085  11.094  -9.439
  155   HG21  ILE  20          HG21      ILE  20  40.571  10.826 -12.313
  156   HG22  ILE  20          HG22      ILE  20  41.067   9.693 -11.034
  157   HG23  ILE  20          HG23      ILE  20  41.958  11.211 -11.273
  158   HD11  ILE  20           HD1      ILE  20  37.122   9.831 -11.207
  159   HD12  ILE  20           HD2      ILE  20  38.711   9.424 -11.895
  160   HD13  ILE  20           HD3      ILE  20  38.078  11.082 -12.034
  161    H    GLN  21           HN       GLN  21  40.945  13.419  -7.230
  162    HA   GLN  21           HA       GLN  21  42.565  15.142  -6.823
  163    HB2  GLN  21           HB2      GLN  21  44.063  14.114  -8.745
  164    HB3  GLN  21           HB1      GLN  21  43.252  15.306  -9.788
  165    HG2  GLN  21           HG2      GLN  21  43.907  17.068  -8.024
  166    HG3  GLN  21           HG1      GLN  21  44.978  15.825  -7.336
  167   HE21  GLN  21          HE21      GLN  21  45.559  18.460  -8.865
  168   HE22  GLN  21          HE22      GLN  21  46.650  17.946 -10.156
  169    H    ASN  22           HN       ASN  22  39.850  14.859  -7.444
  170    HA   ASN  22           HA       ASN  22  38.007  16.001  -8.216
  171    HB2  ASN  22           HB2      ASN  22  38.016  18.418  -7.557
  172    HB3  ASN  22           HB1      ASN  22  38.517  17.272  -6.277
  173   HD21  ASN  22          HD21      ASN  22  39.543  19.989  -8.270
  174   HD22  ASN  22          HD22      ASN  22  41.189  20.079  -7.632
  175    H    HIS  23           HN       HIS  23  39.318  15.149 -10.241
  176    HA   HIS  23           HA       HIS  23  39.804  15.541 -12.497
  177    HB2  HIS  23           HB2      HIS  23  37.719  17.737 -12.215
  178    HB3  HIS  23           HB1      HIS  23  38.146  16.831 -13.688
  179    HD1  HIS  23           HD1      HIS  23  38.373  14.254 -11.363
  180    HD2  HIS  23           HD2      HIS  23  35.088  16.371 -12.918
  181    HE1  HIS  23           HE1      HIS  23  36.292  12.822 -10.978
  182    H    HIS  24           HN       HIS  24  40.028  17.527 -14.209
  183    HA   HIS  24           HA       HIS  24  41.550  19.150 -14.872
  184    HB2  HIS  24           HB2      HIS  24  39.852  20.540 -13.674
  185    HB3  HIS  24           HB1      HIS  24  40.827  20.397 -12.191
  186    HD1  HIS  24           HD1      HIS  24  43.512  21.129 -12.613
  187    HD2  HIS  24           HD2      HIS  24  40.550  22.796 -15.087
  188    HE1  HIS  24           HE1      HIS  24  44.518  23.205 -13.710
  Start of MODEL   80
    1    H1   PHE   1           HT1      PHE   1  62.286   3.133  -9.055
    2    H2   PHE   1           HT2      PHE   1  62.509   1.622  -9.800
    3    H3   PHE   1           HT3      PHE   1  61.519   1.759  -8.426
    4    HA   PHE   1           HA       PHE   1  60.977   3.140 -10.968
    5    HB2  PHE   1           HB2      PHE   1  60.984   0.673 -11.280
    6    HB3  PHE   1           HB1      PHE   1  59.817   0.517  -9.944
    7    HD1  PHE   1           HD1      PHE   1  57.480   0.989 -10.274
    8    HD2  PHE   1           HD2      PHE   1  60.343   1.969 -13.352
    9    HE1  PHE   1           HE1      PHE   1  55.616   1.457 -11.859
   10    HE2  PHE   1           HE2      PHE   1  58.479   2.435 -14.936
   11    HZ   PHE   1           HZ       PHE   1  56.117   2.250 -14.167
   12    H    LEU   2           HN       LEU   2  60.528   2.739  -7.622
   13    HA   LEU   2           HA       LEU   2  58.922   3.529  -6.142
   14    HB2  LEU   2           HB2      LEU   2  58.195   5.577  -8.262
   15    HB3  LEU   2           HB1      LEU   2  58.228   5.766  -6.491
   16    HG   LEU   2           HG       LEU   2  60.636   5.395  -8.329
   17   HD11  LEU   2          HD11      LEU   2  59.775   7.723  -6.555
   18   HD12  LEU   2          HD12      LEU   2  59.574   7.659  -8.322
   19   HD13  LEU   2          HD13      LEU   2  61.205   7.673  -7.611
   20   HD21  LEU   2          HD21      LEU   2  61.162   4.253  -6.285
   21   HD22  LEU   2          HD22      LEU   2  60.361   5.498  -5.295
   22   HD23  LEU   2          HD23      LEU   2  61.892   5.866  -6.124
   23    H    GLY   3           HN       GLY   3  56.445   4.815  -6.566
   24    HA2  GLY   3           HA1      GLY   3  54.756   3.484  -8.427
   25    HA3  GLY   3           HA2      GLY   3  54.750   2.551  -6.918
   26    H    ALA   4           HN       ALA   4  54.553   4.059  -4.885
   27    HA   ALA   4           HA       ALA   4  52.943   6.462  -5.274
   28    HB1  ALA   4           HB1      ALA   4  51.290   4.655  -5.788
   29    HB2  ALA   4           HB2      ALA   4  50.859   5.630  -4.362
   30    HB3  ALA   4           HB3      ALA   4  51.553   4.005  -4.153
   31    H    LEU   5           HN       LEU   5  55.015   4.521  -3.605
   32    HA   LEU   5           HA       LEU   5  54.241   5.180  -0.869
   33    HB2  LEU   5           HB2      LEU   5  56.728   4.027  -2.176
   34    HB3  LEU   5           HB1      LEU   5  56.692   4.421  -0.442
   35    HG   LEU   5           HG       LEU   5  54.826   2.903  -0.072
   36   HD11  LEU   5          HD11      LEU   5  54.836   2.697  -3.110
   37   HD12  LEU   5          HD12      LEU   5  53.484   3.123  -2.033
   38   HD13  LEU   5          HD13      LEU   5  54.082   1.449  -2.088
   39   HD21  LEU   5          HD21      LEU   5  55.907   0.764  -0.677
   40   HD22  LEU   5          HD22      LEU   5  57.120   1.942  -0.125
   41   HD23  LEU   5          HD23      LEU   5  56.931   1.606  -1.863
   42    H    ILE   6           HN       ILE   6  54.856   7.263  -3.157
   43    HA   ILE   6           HA       ILE   6  55.937   9.262  -1.295
   44    HB   ILE   6           HB       ILE   6  57.963   7.879  -2.367
   45   HG12  ILE   6          HG12      ILE   6  57.911  10.934  -2.363
   46   HG13  ILE   6          HG11      ILE   6  58.216   9.885  -0.966
   47   HG21  ILE   6          HG21      ILE   6  58.622   8.290  -4.546
   48   HG22  ILE   6          HG22      ILE   6  57.887   9.904  -4.601
   49   HG23  ILE   6          HG23      ILE   6  56.867   8.456  -4.765
   50   HD11  ILE   6           HD1      ILE   6  59.932  10.220  -3.454
   51   HD12  ILE   6           HD2      ILE   6  60.154   8.879  -2.306
   52   HD13  ILE   6           HD3      ILE   6  60.371  10.562  -1.765
   53    H    LYS   7           HN       LYS   7  56.852  10.975  -3.648
   54    HA   LYS   7           HA       LYS   7  55.709  12.719  -4.686
   55    HB2  LYS   7           HB2      LYS   7  53.594  10.600  -5.348
   56    HB3  LYS   7           HB1      LYS   7  53.751  12.193  -6.119
   57    HG2  LYS   7           HG2      LYS   7  56.016  10.159  -6.166
   58    HG3  LYS   7           HG1      LYS   7  54.727  10.149  -7.388
   59    HD2  LYS   7           HD2      LYS   7  55.271  12.593  -7.851
   60    HD3  LYS   7           HD1      LYS   7  56.690  12.406  -6.792
   61    HE2  LYS   7           HE2      LYS   7  56.116  10.685  -9.242
   62    HE3  LYS   7           HE1      LYS   7  57.237  12.066  -9.210
   63    HZ1  LYS   7           HZ1      LYS   7  58.594  10.971  -7.624
   64    HZ2  LYS   7           HZ2      LYS   7  58.281   9.838  -8.852
   65    HZ3  LYS   7           HZ3      LYS   7  57.454   9.741  -7.369
   66    H    GLY   8           HN       GLY   8  55.628  11.648  -2.202
   67    HA2  GLY   8           HA1      GLY   8  54.626  11.425  -0.234
   68    HA3  GLY   8           HA2      GLY   8  54.289  13.183  -0.470
   69    H    ALA   9           HN       ALA   9  53.070   9.928  -0.549
   70    HA   ALA   9           HA       ALA   9  50.955   9.045  -0.902
   71    HB1  ALA   9           HB1      ALA   9  49.352   9.854   0.750
   72    HB2  ALA   9           HB2      ALA   9  50.286  11.356   0.953
   73    HB3  ALA   9           HB3      ALA   9  50.983   9.797   1.460
   74    H    ILE  10           HN       ILE  10  51.480  10.407  -3.125
   75    HA   ILE  10           HA       ILE  10  50.653  11.823  -4.780
   76    HB   ILE  10           HB       ILE  10  48.044  11.238  -5.166
   77   HG12  ILE  10          HG12      ILE  10  49.000   9.040  -3.263
   78   HG13  ILE  10          HG11      ILE  10  47.754  10.251  -2.892
   79   HG21  ILE  10          HG21      ILE  10  50.039  10.435  -6.518
   80   HG22  ILE  10          HG22      ILE  10  48.714   9.263  -6.404
   81   HG23  ILE  10          HG23      ILE  10  50.167   9.059  -5.398
   82   HD11  ILE  10           HD1      ILE  10  47.627   7.920  -4.818
   83   HD12  ILE  10           HD2      ILE  10  46.597   9.347  -5.094
   84   HD13  ILE  10           HD3      ILE  10  46.452   8.422  -3.581
   85    H    HIS  11           HN       HIS  11  47.447  11.908  -3.379
   86    HA   HIS  11           HA       HIS  11  47.202  14.694  -3.606
   87    HB2  HIS  11           HB2      HIS  11  45.270  14.493  -2.100
   88    HB3  HIS  11           HB1      HIS  11  45.294  13.172  -3.293
   89    HD1  HIS  11           HD1      HIS  11  45.110  10.854  -2.377
   90    HD2  HIS  11           HD2      HIS  11  46.576  13.570   0.482
   91    HE1  HIS  11           HE1      HIS  11  45.321   9.592  -0.166
   92    H    GLY  12           HN       GLY  12  49.271  13.050  -1.475
   93    HA2  GLY  12           HA1      GLY  12  48.966  14.830   0.815
   94    HA3  GLY  12           HA2      GLY  12  50.314  13.717   0.506
   95    H    GLY  13           HN       GLY  13  49.704  15.546  -2.208
   96    HA2  GLY  13           HA1      GLY  13  51.107  17.985  -1.496
   97    HA3  GLY  13           HA2      GLY  13  52.154  16.833  -2.352
   98    H    ARG  14           HN       ARG  14  49.689  15.740  -3.741
   99    HA   ARG  14           HA       ARG  14  49.839  17.568  -6.038
  100    HB2  ARG  14           HB2      ARG  14  49.611  14.885  -5.865
  101    HB3  ARG  14           HB1      ARG  14  47.879  15.267  -5.926
  102    HG2  ARG  14           HG2      ARG  14  50.005  16.069  -7.969
  103    HG3  ARG  14           HG1      ARG  14  48.700  14.884  -8.198
  104    HD2  ARG  14           HD2      ARG  14  47.104  16.894  -7.611
  105    HD3  ARG  14           HD1      ARG  14  48.518  17.903  -8.011
  106    HE   ARG  14           HE       ARG  14  48.191  17.341 -10.282
  107   HH11  ARG  14          HH11      ARG  14  45.522  16.311  -8.657
  108   HH12  ARG  14          HH12      ARG  14  45.118  15.007  -9.724
  109   HH21  ARG  14          HH21      ARG  14  48.107  15.164 -11.475
  110   HH22  ARG  14          HH22      ARG  14  46.582  14.358 -11.318
  111    H    PHE  15           HN       PHE  15  47.543  16.702  -3.474
  112    HA   PHE  15           HA       PHE  15  45.115  17.644  -4.325
  113    HB2  PHE  15           HB2      PHE  15  45.637  16.861  -2.013
  114    HB3  PHE  15           HB1      PHE  15  46.387  18.440  -1.678
  115    HD1  PHE  15           HD1      PHE  15  43.203  16.665  -2.366
  116    HD2  PHE  15           HD2      PHE  15  45.036  20.467  -1.461
  117    HE1  PHE  15           HE1      PHE  15  40.961  17.624  -1.849
  118    HE2  PHE  15           HE2      PHE  15  42.794  21.425  -0.944
  119    HZ   PHE  15           HZ       PHE  15  40.753  20.019  -1.193
  120    H    ILE  16           HN       ILE  16  47.671  19.789  -2.960
  121    HA   ILE  16           HA       ILE  16  46.201  22.190  -3.679
  122    HB   ILE  16           HB       ILE  16  49.177  21.882  -3.046
  123   HG12  ILE  16          HG12      ILE  16  46.831  22.560  -1.210
  124   HG13  ILE  16          HG11      ILE  16  47.603  20.961  -1.298
  125   HG21  ILE  16          HG21      ILE  16  49.002  24.272  -2.427
  126   HG22  ILE  16          HG22      ILE  16  47.282  24.274  -2.882
  127   HG23  ILE  16          HG23      ILE  16  48.532  24.042  -4.125
  128   HD11  ILE  16           HD1      ILE  16  48.722  23.563  -0.217
  129   HD12  ILE  16           HD2      ILE  16  49.836  22.318  -0.833
  130   HD13  ILE  16           HD3      ILE  16  48.737  21.943   0.513
  131    H    HIS  17           HN       HIS  17  49.582  21.873  -4.750
  132    HA   HIS  17           HA       HIS  17  48.836  21.480  -7.556
  133    HB2  HIS  17           HB2      HIS  17  49.752  24.208  -6.556
  134    HB3  HIS  17           HB1      HIS  17  49.858  23.698  -8.258
  135    HD1  HIS  17           HD1      HIS  17  47.648  25.392  -5.952
  136    HD2  HIS  17           HD2      HIS  17  47.121  22.824  -9.240
  137    HE1  HIS  17           HE1      HIS  17  45.223  25.627  -6.721
  138    H    GLY  18           HN       GLY  18  50.319  19.807  -6.242
  139    HA2  GLY  18           HA1      GLY  18  52.425  18.838  -6.180
  140    HA3  GLY  18           HA2      GLY  18  52.895  19.952  -7.466
  141    H    MET  19           HN       MET  19  51.894  20.232  -4.089
  142    HA   MET  19           HA       MET  19  52.798  21.640  -2.541
  143    HB2  MET  19           HB2      MET  19  55.277  20.301  -3.458
  144    HB3  MET  19           HB1      MET  19  55.126  21.175  -1.914
  145    HG2  MET  19           HG2      MET  19  53.475  19.619  -1.098
  146    HG3  MET  19           HG1      MET  19  53.312  18.861  -2.700
  147    HE1  MET  19           HE1      MET  19  56.600  18.333   0.443
  148    HE2  MET  19           HE2      MET  19  54.874  18.689   0.702
  149    HE3  MET  19           HE3      MET  19  55.935  19.915  -0.034
  150    H    ILE  20           HN       ILE  20  52.723  22.732  -5.306
  151    HA   ILE  20           HA       ILE  20  53.492  24.679  -6.323
  152    HB   ILE  20           HB       ILE  20  54.037  25.404  -3.399
  153   HG12  ILE  20          HG12      ILE  20  52.250  27.085  -3.877
  154   HG13  ILE  20          HG11      ILE  20  52.120  26.447  -5.531
  155   HG21  ILE  20          HG21      ILE  20  54.460  27.765  -4.337
  156   HG22  ILE  20          HG22      ILE  20  54.715  26.978  -5.913
  157   HG23  ILE  20          HG23      ILE  20  55.779  26.590  -4.541
  158   HD11  ILE  20           HD1      ILE  20  51.298  24.343  -4.767
  159   HD12  ILE  20           HD2      ILE  20  50.432  25.556  -3.798
  160   HD13  ILE  20           HD3      ILE  20  51.799  24.663  -3.090
  161    H    GLN  21           HN       GLN  21  55.259  22.404  -4.631
  162    HA   GLN  21           HA       GLN  21  57.931  23.420  -5.675
  163    HB2  GLN  21           HB2      GLN  21  57.538  22.802  -3.172
  164    HB3  GLN  21           HB1      GLN  21  57.509  21.115  -3.732
  165    HG2  GLN  21           HG2      GLN  21  59.786  23.084  -4.265
  166    HG3  GLN  21           HG1      GLN  21  59.785  21.856  -2.977
  167   HE21  GLN  21          HE21      GLN  21  58.854  19.560  -4.109
  168   HE22  GLN  21          HE22      GLN  21  59.822  19.110  -5.516
  169    H    ASN  22           HN       ASN  22  55.807  20.504  -5.412
  170    HA   ASN  22           HA       ASN  22  57.445  19.049  -7.362
  171    HB2  ASN  22           HB2      ASN  22  54.779  18.585  -5.966
  172    HB3  ASN  22           HB1      ASN  22  55.308  17.537  -7.307
  173   HD21  ASN  22          HD21      ASN  22  55.995  15.625  -6.305
  174   HD22  ASN  22          HD22      ASN  22  57.151  15.578  -4.971
  175    H    HIS  23           HN       HIS  23  54.684  21.220  -7.168
  176    HA   HIS  23           HA       HIS  23  53.422  22.194  -8.878
  177    HB2  HIS  23           HB2      HIS  23  55.721  22.910  -9.588
  178    HB3  HIS  23           HB1      HIS  23  55.780  21.492 -10.663
  179    HD1  HIS  23           HD1      HIS  23  54.601  24.975 -10.472
  180    HD2  HIS  23           HD2      HIS  23  53.684  21.555 -12.738
  181    HE1  HIS  23           HE1      HIS  23  53.220  25.741 -12.481
  182    H    HIS  24           HN       HIS  24  51.690  20.814  -9.050
  183    HA   HIS  24           HA       HIS  24  50.327  19.204 -10.014
  184    HB2  HIS  24           HB2      HIS  24  50.760  20.624 -12.019
  185    HB3  HIS  24           HB1      HIS  24  52.150  19.589 -12.421
  186    HD1  HIS  24           HD1      HIS  24  51.703  17.400 -13.611
  187    HD2  HIS  24           HD2      HIS  24  48.204  19.143 -12.061
  188    HE1  HIS  24           HE1      HIS  24  49.721  16.064 -14.514
  Start of MODEL   81
    1    H1   PHE   1           HT1      PHE   1  53.896   4.532 -11.507
    2    H2   PHE   1           HT2      PHE   1  52.280   4.104 -11.207
    3    H3   PHE   1           HT3      PHE   1  53.034   3.635 -12.657
    4    HA   PHE   1           HA       PHE   1  52.806   1.833 -11.040
    5    HB2  PHE   1           HB2      PHE   1  55.675   2.654 -11.639
    6    HB3  PHE   1           HB1      PHE   1  55.067   1.004 -11.362
    7    HD1  PHE   1           HD1      PHE   1  53.940  -0.226 -13.108
    8    HD2  PHE   1           HD2      PHE   1  54.954   3.932 -13.676
    9    HE1  PHE   1           HE1      PHE   1  53.388  -0.423 -15.530
   10    HE2  PHE   1           HE2      PHE   1  54.401   3.735 -16.098
   11    HZ   PHE   1           HZ       PHE   1  53.549   1.578 -17.008
   12    H    LEU   2           HN       LEU   2  52.066   2.546  -8.984
   13    HA   LEU   2           HA       LEU   2  53.873   3.864  -7.127
   14    HB2  LEU   2           HB2      LEU   2  51.437   2.221  -6.365
   15    HB3  LEU   2           HB1      LEU   2  52.124   3.638  -5.537
   16    HG   LEU   2           HG       LEU   2  50.761   3.613  -8.267
   17   HD11  LEU   2          HD11      LEU   2  49.997   4.867  -5.591
   18   HD12  LEU   2          HD12      LEU   2  49.227   3.443  -6.331
   19   HD13  LEU   2          HD13      LEU   2  49.089   5.037  -7.112
   20   HD21  LEU   2          HD21      LEU   2  52.483   5.270  -8.407
   21   HD22  LEU   2          HD22      LEU   2  52.237   5.785  -6.719
   22   HD23  LEU   2          HD23      LEU   2  51.018   6.172  -7.957
   23    H    GLY   3           HN       GLY   3  55.003   3.034  -5.384
   24    HA2  GLY   3           HA1      GLY   3  54.957   0.237  -4.687
   25    HA3  GLY   3           HA2      GLY   3  56.337   0.591  -5.745
   26    H    ALA   4           HN       ALA   4  57.289   2.954  -5.009
   27    HA   ALA   4           HA       ALA   4  58.452   2.361  -2.386
   28    HB1  ALA   4           HB1      ALA   4  59.775   3.326  -4.238
   29    HB2  ALA   4           HB2      ALA   4  59.789   4.371  -2.797
   30    HB3  ALA   4           HB3      ALA   4  58.762   4.788  -4.189
   31    H    LEU   5           HN       LEU   5  55.585   3.775  -3.364
   32    HA   LEU   5           HA       LEU   5  54.063   5.162  -2.306
   33    HB2  LEU   5           HB2      LEU   5  54.318   3.404  -0.557
   34    HB3  LEU   5           HB1      LEU   5  55.627   4.352   0.181
   35    HG   LEU   5           HG       LEU   5  54.016   6.249   0.524
   36   HD11  LEU   5          HD11      LEU   5  52.292   6.023  -1.074
   37   HD12  LEU   5          HD12      LEU   5  51.500   5.423   0.397
   38   HD13  LEU   5          HD13      LEU   5  52.130   4.271  -0.804
   39   HD21  LEU   5          HD21      LEU   5  53.115   3.573   1.683
   40   HD22  LEU   5          HD22      LEU   5  52.813   5.180   2.389
   41   HD23  LEU   5          HD23      LEU   5  54.475   4.551   2.288
   42    H    ILE   6           HN       ILE   6  54.914   7.036  -3.371
   43    HA   ILE   6           HA       ILE   6  55.870   9.047  -1.394
   44    HB   ILE   6           HB       ILE   6  57.899   7.771  -2.629
   45   HG12  ILE   6          HG12      ILE   6  57.747  10.813  -2.376
   46   HG13  ILE   6          HG11      ILE   6  58.164   9.662  -1.091
   47   HG21  ILE   6          HG21      ILE   6  56.709   8.482  -4.941
   48   HG22  ILE   6          HG22      ILE   6  58.476   8.379  -4.789
   49   HG23  ILE   6          HG23      ILE   6  57.674   9.957  -4.698
   50   HD11  ILE   6           HD1      ILE   6  60.254  10.469  -1.913
   51   HD12  ILE   6           HD2      ILE   6  59.740  10.312  -3.609
   52   HD13  ILE   6           HD3      ILE   6  60.061   8.854  -2.636
   53    H    LYS   7           HN       LYS   7  56.623  10.919  -3.621
   54    HA   LYS   7           HA       LYS   7  55.381  12.640  -4.567
   55    HB2  LYS   7           HB2      LYS   7  54.676  10.651  -6.176
   56    HB3  LYS   7           HB1      LYS   7  53.159  10.657  -5.245
   57    HG2  LYS   7           HG2      LYS   7  52.806  13.034  -5.797
   58    HG3  LYS   7           HG1      LYS   7  54.353  13.076  -6.675
   59    HD2  LYS   7           HD2      LYS   7  53.489  11.278  -8.199
   60    HD3  LYS   7           HD1      LYS   7  51.915  11.381  -7.372
   61    HE2  LYS   7           HE2      LYS   7  51.809  13.815  -7.964
   62    HE3  LYS   7           HE1      LYS   7  53.320  13.626  -8.883
   63    HZ1  LYS   7           HZ1      LYS   7  51.654  13.348 -10.460
   64    HZ2  LYS   7           HZ2      LYS   7  50.664  12.437  -9.422
   65    HZ3  LYS   7           HZ3      LYS   7  52.078  11.753 -10.071
   66    H    GLY   8           HN       GLY   8  55.426  11.444  -2.139
   67    HA2  GLY   8           HA1      GLY   8  54.514  11.082  -0.150
   68    HA3  GLY   8           HA2      GLY   8  54.074  12.826  -0.288
   69    H    ALA   9           HN       ALA   9  53.030   9.499  -0.629
   70    HA   ALA   9           HA       ALA   9  50.944   8.522  -0.714
   71    HB1  ALA   9           HB1      ALA   9  49.310   9.370   0.823
   72    HB2  ALA   9           HB2      ALA   9  50.012  11.006   0.758
   73    HB3  ALA   9           HB3      ALA   9  50.909   9.680   1.538
   74    H    ILE  10           HN       ILE  10  51.160   9.071  -3.076
   75    HA   ILE  10           HA       ILE  10  50.111   9.666  -5.036
   76    HB   ILE  10           HB       ILE  10  47.848   9.880  -3.055
   77   HG12  ILE  10          HG12      ILE  10  46.740   8.426  -4.734
   78   HG13  ILE  10          HG11      ILE  10  48.134   8.631  -5.822
   79   HG21  ILE  10          HG21      ILE  10  47.326  11.944  -4.128
   80   HG22  ILE  10          HG22      ILE  10  46.302  10.730  -4.924
   81   HG23  ILE  10          HG23      ILE  10  47.775  11.316  -5.733
   82   HD11  ILE  10           HD1      ILE  10  49.599   7.476  -4.321
   83   HD12  ILE  10           HD2      ILE  10  48.110   6.505  -4.366
   84   HD13  ILE  10           HD3      ILE  10  48.431   7.576  -2.982
   85    H    HIS  11           HN       HIS  11  48.986  12.209  -2.739
   86    HA   HIS  11           HA       HIS  11  50.755  14.178  -4.044
   87    HB2  HIS  11           HB2      HIS  11  48.735  14.105  -5.528
   88    HB3  HIS  11           HB1      HIS  11  47.727  14.527  -4.123
   89    HD1  HIS  11           HD1      HIS  11  47.104  16.933  -4.369
   90    HD2  HIS  11           HD2      HIS  11  51.161  16.244  -5.240
   91    HE1  HIS  11           HE1      HIS  11  48.179  19.204  -4.836
   92    H    GLY  12           HN       GLY  12  49.356  12.789  -1.463
   93    HA2  GLY  12           HA1      GLY  12  50.041  13.688   0.741
   94    HA3  GLY  12           HA2      GLY  12  49.550  15.304   0.199
   95    H    GLY  13           HN       GLY  13  47.836  12.227  -0.321
   96    HA2  GLY  13           HA1      GLY  13  45.647  11.671   0.190
   97    HA3  GLY  13           HA2      GLY  13  46.054  12.255   1.815
   98    H    ARG  14           HN       ARG  14  44.990  13.340  -1.418
   99    HA   ARG  14           HA       ARG  14  42.872  14.936  -0.247
  100    HB2  ARG  14           HB2      ARG  14  44.713  16.468   0.263
  101    HB3  ARG  14           HB1      ARG  14  45.288  16.383  -1.416
  102    HG2  ARG  14           HG2      ARG  14  43.966  18.460  -0.939
  103    HG3  ARG  14           HG1      ARG  14  43.242  17.469  -2.222
  104    HD2  ARG  14           HD2      ARG  14  41.472  16.746  -0.836
  105    HD3  ARG  14           HD1      ARG  14  42.366  17.100   0.662
  106    HE   ARG  14           HE       ARG  14  41.939  19.540  -0.788
  107   HH11  ARG  14          HH11      ARG  14  41.260  20.371   1.582
  108   HH12  ARG  14          HH12      ARG  14  39.601  19.993   1.901
  109   HH21  ARG  14          HH21      ARG  14  39.377  17.632  -0.629
  110   HH22  ARG  14          HH22      ARG  14  38.534  18.441   0.649
  111    H    PHE  15           HN       PHE  15  44.740  13.658  -2.854
  112    HA   PHE  15           HA       PHE  15  43.543  14.839  -5.111
  113    HB2  PHE  15           HB2      PHE  15  45.427  13.136  -5.067
  114    HB3  PHE  15           HB1      PHE  15  44.188  11.877  -4.845
  115    HD1  PHE  15           HD1      PHE  15  45.280  14.658  -7.112
  116    HD2  PHE  15           HD2      PHE  15  42.916  11.070  -6.708
  117    HE1  PHE  15           HE1      PHE  15  44.854  14.662  -9.567
  118    HE2  PHE  15           HE2      PHE  15  42.492  11.072  -9.163
  119    HZ   PHE  15           HZ       PHE  15  43.428  12.892 -10.586
  120    H    ILE  16           HN       ILE  16  42.055  13.070  -2.620
  121    HA   ILE  16           HA       ILE  16  39.531  12.961  -4.206
  122    HB   ILE  16           HB       ILE  16  40.335  10.554  -2.515
  123   HG12  ILE  16          HG12      ILE  16  40.782  11.005  -5.504
  124   HG13  ILE  16          HG11      ILE  16  42.044  10.785  -4.271
  125   HG21  ILE  16          HG21      ILE  16  38.414  10.825  -4.868
  126   HG22  ILE  16          HG22      ILE  16  37.915  11.046  -3.175
  127   HG23  ILE  16          HG23      ILE  16  38.536   9.472  -3.721
  128   HD11  ILE  16           HD1      ILE  16  41.838   8.627  -5.217
  129   HD12  ILE  16           HD2      ILE  16  40.069   8.750  -5.353
  130   HD13  ILE  16           HD3      ILE  16  40.827   8.518  -3.758
  131    H    HIS  17           HN       HIS  17  40.524  11.586  -1.008
  132    HA   HIS  17           HA       HIS  17  39.330  13.815   0.439
  133    HB2  HIS  17           HB2      HIS  17  37.282  12.602  -0.405
  134    HB3  HIS  17           HB1      HIS  17  37.823  11.169   0.501
  135    HD1  HIS  17           HD1      HIS  17  38.947  13.862   2.512
  136    HD2  HIS  17           HD2      HIS  17  35.179  12.118   1.843
  137    HE1  HIS  17           HE1      HIS  17  37.435  14.548   4.454
  138    H    GLY  18           HN       GLY  18  41.669  13.380   1.030
  139    HA2  GLY  18           HA1      GLY  18  43.160  12.652   2.654
  140    HA3  GLY  18           HA2      GLY  18  41.763  12.150   3.606
  141    H    MET  19           HN       MET  19  43.117  11.165   0.492
  142    HA   MET  19           HA       MET  19  43.377   9.008  -0.206
  143    HB2  MET  19           HB2      MET  19  45.439   9.483   1.063
  144    HB3  MET  19           HB1      MET  19  44.680   8.643   2.429
  145    HG2  MET  19           HG2      MET  19  44.942   6.534   1.452
  146    HG3  MET  19           HG1      MET  19  44.822   7.163  -0.207
  147    HE1  MET  19           HE1      MET  19  48.337   5.367   0.306
  148    HE2  MET  19           HE2      MET  19  46.663   5.186  -0.272
  149    HE3  MET  19           HE3      MET  19  47.018   5.099   1.471
  150    H    ILE  20           HN       ILE  20  40.974   9.525   1.534
  151    HA   ILE  20           HA       ILE  20  39.269   8.198   2.383
  152    HB   ILE  20           HB       ILE  20  40.568   6.150   0.512
  153   HG12  ILE  20          HG12      ILE  20  38.553   6.503  -0.807
  154   HG13  ILE  20          HG11      ILE  20  37.834   7.500   0.477
  155   HG21  ILE  20          HG21      ILE  20  38.212   5.817   2.408
  156   HG22  ILE  20          HG22      ILE  20  39.651   4.780   2.253
  157   HG23  ILE  20          HG23      ILE  20  38.427   4.802   0.962
  158   HD11  ILE  20           HD1      ILE  20  40.482   8.250  -0.818
  159   HD12  ILE  20           HD2      ILE  20  39.364   9.282   0.109
  160   HD13  ILE  20           HD3      ILE  20  38.922   8.737  -1.523
  161    H    GLN  21           HN       GLN  21  42.582   7.788   2.778
  162    HA   GLN  21           HA       GLN  21  42.222   5.853   5.108
  163    HB2  GLN  21           HB2      GLN  21  43.950   5.380   3.271
  164    HB3  GLN  21           HB1      GLN  21  44.836   6.800   3.872
  165    HG2  GLN  21           HG2      GLN  21  45.780   4.906   5.005
  166    HG3  GLN  21           HG1      GLN  21  44.739   5.723   6.195
  167   HE21  GLN  21          HE21      GLN  21  44.900   2.920   3.938
  168   HE22  GLN  21          HE22      GLN  21  43.643   1.993   4.764
  169    H    ASN  22           HN       ASN  22  43.495   9.057   4.111
  170    HA   ASN  22           HA       ASN  22  44.132   9.738   6.921
  171    HB2  ASN  22           HB2      ASN  22  44.334  11.131   4.219
  172    HB3  ASN  22           HB1      ASN  22  44.536  12.037   5.742
  173   HD21  ASN  22          HD21      ASN  22  46.783  12.394   5.833
  174   HD22  ASN  22          HD22      ASN  22  47.979  11.097   5.736
  175    H    HIS  23           HN       HIS  23  41.696  10.106   4.388
  176    HA   HIS  23           HA       HIS  23  39.574  11.071   4.470
  177    HB2  HIS  23           HB2      HIS  23  39.384   9.336   6.294
  178    HB3  HIS  23           HB1      HIS  23  39.759  10.617   7.471
  179    HD1  HIS  23           HD1      HIS  23  37.287  10.056   4.565
  180    HD2  HIS  23           HD2      HIS  23  37.502  11.983   8.295
  181    HE1  HIS  23           HE1      HIS  23  34.973  11.017   5.060
  182    H    HIS  24           HN       HIS  24  42.190  12.644   5.490
  183    HA   HIS  24           HA       HIS  24  40.827  15.206   5.574
  184    HB2  HIS  24           HB2      HIS  24  40.435  14.397   7.917
  185    HB3  HIS  24           HB1      HIS  24  42.199  14.317   8.140
  186    HD1  HIS  24           HD1      HIS  24  43.510  16.688   7.594
  187    HD2  HIS  24           HD2      HIS  24  39.414  16.892   8.524
  188    HE1  HIS  24           HE1      HIS  24  42.991  19.110   8.220
  Start of MODEL   82
    1    H1   PHE   1           HT1      PHE   1  60.453  -1.247  -6.900
    2    H2   PHE   1           HT2      PHE   1  61.507  -2.149  -5.920
    3    H3   PHE   1           HT3      PHE   1  61.801  -2.010  -7.587
    4    HA   PHE   1           HA       PHE   1  63.253  -0.622  -6.223
    5    HB2  PHE   1           HB2      PHE   1  61.309   0.778  -8.102
    6    HB3  PHE   1           HB1      PHE   1  62.875   1.438  -7.574
    7    HD1  PHE   1           HD1      PHE   1  64.998   0.387  -8.286
    8    HD2  PHE   1           HD2      PHE   1  61.185  -1.084  -9.675
    9    HE1  PHE   1           HE1      PHE   1  66.150  -0.911 -10.073
   10    HE2  PHE   1           HE2      PHE   1  62.337  -2.381 -11.464
   11    HZ   PHE   1           HZ       PHE   1  64.824  -2.341 -11.624
   12    H    LEU   2           HN       LEU   2  60.080   1.027  -6.566
   13    HA   LEU   2           HA       LEU   2  60.544   2.661  -4.230
   14    HB2  LEU   2           HB2      LEU   2  58.113   2.036  -5.940
   15    HB3  LEU   2           HB1      LEU   2  57.980   3.059  -4.490
   16    HG   LEU   2           HG       LEU   2  59.670   4.605  -5.393
   17   HD11  LEU   2          HD11      LEU   2  59.792   2.549  -7.633
   18   HD12  LEU   2          HD12      LEU   2  61.130   3.222  -6.670
   19   HD13  LEU   2          HD13      LEU   2  60.311   4.233  -7.882
   20   HD21  LEU   2          HD21      LEU   2  58.335   5.523  -7.231
   21   HD22  LEU   2          HD22      LEU   2  57.242   4.866  -5.989
   22   HD23  LEU   2          HD23      LEU   2  57.545   3.949  -7.483
   23    H    GLY   3           HN       GLY   3  58.899   2.711  -2.386
   24    HA2  GLY   3           HA1      GLY   3  57.544   0.327  -1.592
   25    HA3  GLY   3           HA2      GLY   3  59.168   0.321  -0.877
   26    H    ALA   4           HN       ALA   4  57.031   3.100  -1.551
   27    HA   ALA   4           HA       ALA   4  56.147   3.371   1.187
   28    HB1  ALA   4           HB1      ALA   4  58.424   5.169   0.286
   29    HB2  ALA   4           HB2      ALA   4  58.489   3.953   1.583
   30    HB3  ALA   4           HB3      ALA   4  57.457   5.392   1.762
   31    H    LEU   5           HN       LEU   5  56.121   4.044  -2.069
   32    HA   LEU   5           HA       LEU   5  54.836   5.452  -3.393
   33    HB2  LEU   5           HB2      LEU   5  53.065   5.895  -0.966
   34    HB3  LEU   5           HB1      LEU   5  52.604   5.835  -2.684
   35    HG   LEU   5           HG       LEU   5  53.610   3.502  -0.994
   36   HD11  LEU   5          HD11      LEU   5  50.913   4.029  -2.321
   37   HD12  LEU   5          HD12      LEU   5  51.254   4.235  -0.585
   38   HD13  LEU   5          HD13      LEU   5  51.343   2.618  -1.325
   39   HD21  LEU   5          HD21      LEU   5  52.933   2.204  -3.127
   40   HD22  LEU   5          HD22      LEU   5  54.444   3.136  -3.209
   41   HD23  LEU   5          HD23      LEU   5  52.963   3.777  -3.960
   42    H    ILE   6           HN       ILE   6  55.933   7.244  -3.925
   43    HA   ILE   6           HA       ILE   6  56.146   9.460  -1.868
   44    HB   ILE   6           HB       ILE   6  57.816  10.437  -3.423
   45   HG12  ILE   6          HG12      ILE   6  57.118   8.022  -5.157
   46   HG13  ILE   6          HG11      ILE   6  56.935   9.738  -5.579
   47   HG21  ILE   6          HG21      ILE   6  58.436   7.476  -3.090
   48   HG22  ILE   6          HG22      ILE   6  58.388   8.605  -1.715
   49   HG23  ILE   6          HG23      ILE   6  59.567   8.848  -3.025
   50   HD11  ILE   6           HD1      ILE   6  58.933   9.082  -6.680
   51   HD12  ILE   6           HD2      ILE   6  59.495   8.137  -5.281
   52   HD13  ILE   6           HD3      ILE   6  59.498   9.916  -5.214
   53    H    LYS   7           HN       LYS   7  56.549  11.405  -4.180
   54    HA   LYS   7           HA       LYS   7  55.104  13.089  -4.904
   55    HB2  LYS   7           HB2      LYS   7  52.998  10.918  -5.365
   56    HB3  LYS   7           HB1      LYS   7  53.077  12.515  -6.138
   57    HG2  LYS   7           HG2      LYS   7  54.879  10.112  -6.607
   58    HG3  LYS   7           HG1      LYS   7  53.847  10.955  -7.778
   59    HD2  LYS   7           HD2      LYS   7  55.296  13.040  -7.341
   60    HD3  LYS   7           HD1      LYS   7  56.428  11.949  -6.506
   61    HE2  LYS   7           HE2      LYS   7  57.188  12.124  -8.789
   62    HE3  LYS   7           HE1      LYS   7  56.438  10.518  -8.616
   63    HZ1  LYS   7           HZ1      LYS   7  55.814  12.260 -10.544
   64    HZ2  LYS   7           HZ2      LYS   7  54.640  12.667  -9.386
   65    HZ3  LYS   7           HZ3      LYS   7  54.748  11.075  -9.967
   66    H    GLY   8           HN       GLY   8  55.497  11.856  -2.527
   67    HA2  GLY   8           HA1      GLY   8  54.821  11.402  -0.455
   68    HA3  GLY   8           HA2      GLY   8  54.288  13.127  -0.499
   69    H    ALA   9           HN       ALA   9  53.366   9.761  -0.853
   70    HA   ALA   9           HA       ALA   9  51.345   8.672  -0.713
   71    HB1  ALA   9           HB1      ALA   9  49.632   9.682   0.798
   72    HB2  ALA   9           HB2      ALA   9  50.627  11.155   0.886
   73    HB3  ALA   9           HB3      ALA   9  51.256   9.617   1.521
   74    H    ILE  10           HN       ILE  10  51.407   9.204  -3.099
   75    HA   ILE  10           HA       ILE  10  50.223   9.716  -5.003
   76    HB   ILE  10           HB       ILE  10  48.054   9.801  -2.905
   77   HG12  ILE  10          HG12      ILE  10  46.984   8.214  -4.484
   78   HG13  ILE  10          HG11      ILE  10  48.299   8.498  -5.650
   79   HG21  ILE  10          HG21      ILE  10  47.304  11.778  -3.986
   80   HG22  ILE  10          HG22      ILE  10  46.368  10.471  -4.743
   81   HG23  ILE  10          HG23      ILE  10  47.761  11.173  -5.599
   82   HD11  ILE  10           HD1      ILE  10  48.535   6.419  -4.158
   83   HD12  ILE  10           HD2      ILE  10  48.810   7.542  -2.806
   84   HD13  ILE  10           HD3      ILE  10  49.932   7.519  -4.187
   85    H    HIS  11           HN       HIS  11  48.960  12.180  -2.699
   86    HA   HIS  11           HA       HIS  11  50.530  14.276  -4.088
   87    HB2  HIS  11           HB2      HIS  11  48.448  14.085  -5.445
   88    HB3  HIS  11           HB1      HIS  11  47.482  14.348  -3.974
   89    HD1  HIS  11           HD1      HIS  11  47.538  16.719  -2.872
   90    HD2  HIS  11           HD2      HIS  11  49.723  16.415  -6.455
   91    HE1  HIS  11           HE1      HIS  11  48.094  19.096  -3.629
   92    H    GLY  12           HN       GLY  12  49.418  12.778  -1.436
   93    HA2  GLY  12           HA1      GLY  12  50.271  13.852   0.691
   94    HA3  GLY  12           HA2      GLY  12  49.356  15.300   0.227
   95    H    GLY  13           HN       GLY  13  47.899  12.313  -0.637
   96    HA2  GLY  13           HA1      GLY  13  46.018  11.237   0.165
   97    HA3  GLY  13           HA2      GLY  13  46.593  11.634   1.797
   98    H    ARG  14           HN       ARG  14  45.212  13.377  -1.035
   99    HA   ARG  14           HA       ARG  14  42.917  14.233   0.553
  100    HB2  ARG  14           HB2      ARG  14  44.898  15.765   1.243
  101    HB3  ARG  14           HB1      ARG  14  44.769  16.450  -0.389
  102    HG2  ARG  14           HG2      ARG  14  43.451  17.835   1.106
  103    HG3  ARG  14           HG1      ARG  14  42.329  16.935   0.068
  104    HD2  ARG  14           HD2      ARG  14  41.545  15.619   1.834
  105    HD3  ARG  14           HD1      ARG  14  43.085  15.700   2.725
  106    HE   ARG  14           HE       ARG  14  42.245  17.609   3.811
  107   HH11  ARG  14          HH11      ARG  14  41.813  19.820   2.489
  108   HH12  ARG  14          HH12      ARG  14  40.158  19.899   1.985
  109   HH21  ARG  14          HH21      ARG  14  39.579  16.512   2.444
  110   HH22  ARG  14          HH22      ARG  14  38.894  18.027   1.960
  111    H    PHE  15           HN       PHE  15  44.635  13.708  -2.323
  112    HA   PHE  15           HA       PHE  15  42.758  15.235  -4.050
  113    HB2  PHE  15           HB2      PHE  15  45.232  14.891  -4.576
  114    HB3  PHE  15           HB1      PHE  15  44.850  13.179  -4.876
  115    HD1  PHE  15           HD1      PHE  15  44.149  12.534  -7.049
  116    HD2  PHE  15           HD2      PHE  15  43.694  16.645  -5.812
  117    HE1  PHE  15           HE1      PHE  15  43.360  13.135  -9.333
  118    HE2  PHE  15           HE2      PHE  15  42.906  17.245  -8.097
  119    HZ   PHE  15           HZ       PHE  15  42.652  15.472  -9.830
  120    H    ILE  16           HN       ILE  16  43.459  11.970  -2.953
  121    HA   ILE  16           HA       ILE  16  40.738  11.095  -3.627
  122    HB   ILE  16           HB       ILE  16  41.679   8.992  -4.811
  123   HG12  ILE  16          HG12      ILE  16  44.022  10.901  -5.285
  124   HG13  ILE  16          HG11      ILE  16  44.078   9.497  -4.198
  125   HG21  ILE  16          HG21      ILE  16  41.519  10.013  -6.988
  126   HG22  ILE  16          HG22      ILE  16  42.026  11.597  -6.358
  127   HG23  ILE  16          HG23      ILE  16  40.434  10.932  -5.923
  128   HD11  ILE  16           HD1      ILE  16  43.813   9.541  -7.221
  129   HD12  ILE  16           HD2      ILE  16  43.309   8.115  -6.280
  130   HD13  ILE  16           HD3      ILE  16  44.997   8.672  -6.219
  131    H    HIS  17           HN       HIS  17  41.262  11.385  -1.224
  132    HA   HIS  17           HA       HIS  17  41.814   8.683  -0.138
  133    HB2  HIS  17           HB2      HIS  17  44.043   9.862  -0.210
  134    HB3  HIS  17           HB1      HIS  17  43.357  11.112   0.856
  135    HD1  HIS  17           HD1      HIS  17  42.872  10.495   3.325
  136    HD2  HIS  17           HD2      HIS  17  44.565   7.379   1.067
  137    HE1  HIS  17           HE1      HIS  17  43.549   8.652   4.958
  138    H    GLY  18           HN       GLY  18  40.590  11.950   0.033
  139    HA2  GLY  18           HA1      GLY  18  39.690  12.067   2.711
  140    HA3  GLY  18           HA2      GLY  18  38.862  12.812   1.314
  141    H    MET  19           HN       MET  19  38.091  10.948  -0.201
  142    HA   MET  19           HA       MET  19  36.928   8.647   0.863
  143    HB2  MET  19           HB2      MET  19  35.587  10.509   2.133
  144    HB3  MET  19           HB1      MET  19  34.792  10.719   0.566
  145    HG2  MET  19           HG2      MET  19  33.401   9.165   1.684
  146    HG3  MET  19           HG1      MET  19  34.420   8.120   0.669
  147    HE1  MET  19           HE1      MET  19  33.883   5.990   2.239
  148    HE2  MET  19           HE2      MET  19  32.759   7.156   2.977
  149    HE3  MET  19           HE3      MET  19  33.812   6.158   4.009
  150    H    ILE  20           HN       ILE  20  38.215  10.121  -1.385
  151    HA   ILE  20           HA       ILE  20  38.063  10.051  -3.693
  152    HB   ILE  20           HB       ILE  20  35.758   8.056  -3.436
  153   HG12  ILE  20          HG12      ILE  20  37.480   7.091  -2.073
  154   HG13  ILE  20          HG11      ILE  20  37.591   6.273  -3.643
  155   HG21  ILE  20          HG21      ILE  20  36.885   7.238  -5.630
  156   HG22  ILE  20          HG22      ILE  20  37.737   8.798  -5.619
  157   HG23  ILE  20          HG23      ILE  20  35.965   8.756  -5.680
  158   HD11  ILE  20           HD1      ILE  20  39.841   6.808  -2.994
  159   HD12  ILE  20           HD2      ILE  20  39.396   8.469  -2.545
  160   HD13  ILE  20           HD3      ILE  20  39.411   7.982  -4.255
  161    H    GLN  21           HN       GLN  21  35.810  10.827  -1.380
  162    HA   GLN  21           HA       GLN  21  34.242  12.522  -3.379
  163    HB2  GLN  21           HB2      GLN  21  32.888  10.546  -2.672
  164    HB3  GLN  21           HB1      GLN  21  33.062  11.065  -0.980
  165    HG2  GLN  21           HG2      GLN  21  31.880  13.128  -1.404
  166    HG3  GLN  21           HG1      GLN  21  31.904  12.847  -3.160
  167   HE21  GLN  21          HE21      GLN  21  29.882  12.663  -0.497
  168   HE22  GLN  21          HE22      GLN  21  28.795  11.393  -1.070
  169    H    ASN  22           HN       ASN  22  35.999  12.240  -0.365
  170    HA   ASN  22           HA       ASN  22  35.024  14.980   0.454
  171    HB2  ASN  22           HB2      ASN  22  34.861  13.079   2.128
  172    HB3  ASN  22           HB1      ASN  22  36.635  12.987   2.093
  173   HD21  ASN  22          HD21      ASN  22  33.862  15.063   3.000
  174   HD22  ASN  22          HD22      ASN  22  34.811  16.157   4.011
  175    H    HIS  23           HN       HIS  23  37.472  13.228  -1.069
  176    HA   HIS  23           HA       HIS  23  39.920  14.238  -0.364
  177    HB2  HIS  23           HB2      HIS  23  40.331  14.385  -2.951
  178    HB3  HIS  23           HB1      HIS  23  39.872  12.819  -2.245
  179    HD1  HIS  23           HD1      HIS  23  37.086  15.240  -2.317
  180    HD2  HIS  23           HD2      HIS  23  38.689  12.345  -4.913
  181    HE1  HIS  23           HE1      HIS  23  35.332  14.776  -4.116
  182    H    HIS  24           HN       HIS  24  38.730  15.860  -3.251
  183    HA   HIS  24           HA       HIS  24  39.999  18.310  -2.705
  184    HB2  HIS  24           HB2      HIS  24  37.410  17.954  -4.265
  185    HB3  HIS  24           HB1      HIS  24  38.607  19.258  -4.453
  186    HD1  HIS  24           HD1      HIS  24  37.613  16.499  -6.289
  187    HD2  HIS  24           HD2      HIS  24  41.363  17.551  -4.703
  188    HE1  HIS  24           HE1      HIS  24  39.389  15.273  -7.656
  Start of MODEL   83
    1    H1   PHE   1           HT1      PHE   1  56.822  -2.556  -5.628
    2    H2   PHE   1           HT2      PHE   1  56.154  -2.840  -4.092
    3    H3   PHE   1           HT3      PHE   1  57.840  -2.770  -4.290
    4    HA   PHE   1           HA       PHE   1  57.898  -0.536  -4.510
    5    HB2  PHE   1           HB2      PHE   1  54.957  -0.742  -5.262
    6    HB3  PHE   1           HB1      PHE   1  55.840   0.791  -5.064
    7    HD1  PHE   1           HD1      PHE   1  55.326  -2.167  -7.192
    8    HD2  PHE   1           HD2      PHE   1  57.719   1.374  -6.589
    9    HE1  PHE   1           HE1      PHE   1  56.202  -2.364  -9.517
   10    HE2  PHE   1           HE2      PHE   1  58.595   1.178  -8.913
   11    HZ   PHE   1           HZ       PHE   1  57.888  -0.730 -10.353
   12    H    LEU   2           HN       LEU   2  57.479   1.101  -2.950
   13    HA   LEU   2           HA       LEU   2  56.658  -0.005  -0.376
   14    HB2  LEU   2           HB2      LEU   2  57.170   2.926  -0.984
   15    HB3  LEU   2           HB1      LEU   2  57.415   2.049   0.546
   16    HG   LEU   2           HG       LEU   2  58.994   1.667  -2.037
   17   HD11  LEU   2          HD11      LEU   2  59.828   2.692   0.713
   18   HD12  LEU   2          HD12      LEU   2  59.513   3.722  -0.704
   19   HD13  LEU   2          HD13      LEU   2  60.865   2.563  -0.728
   20   HD21  LEU   2          HD21      LEU   2  60.415   0.183  -0.457
   21   HD22  LEU   2          HD22      LEU   2  58.869  -0.494  -1.017
   22   HD23  LEU   2          HD23      LEU   2  59.001   0.183   0.625
   23    H    GLY   3           HN       GLY   3  55.110   1.147   1.063
   24    HA2  GLY   3           HA1      GLY   3  52.530   1.249  -0.218
   25    HA3  GLY   3           HA2      GLY   3  52.887   1.655   1.472
   26    H    ALA   4           HN       ALA   4  54.637   3.759   1.236
   27    HA   ALA   4           HA       ALA   4  52.827   5.928   0.725
   28    HB1  ALA   4           HB1      ALA   4  55.857   5.991   0.924
   29    HB2  ALA   4           HB2      ALA   4  54.740   6.011   2.309
   30    HB3  ALA   4           HB3      ALA   4  54.748   7.364   1.150
   31    H    LEU   5           HN       LEU   5  55.684   4.720  -1.084
   32    HA   LEU   5           HA       LEU   5  56.257   4.980  -3.310
   33    HB2  LEU   5           HB2      LEU   5  53.747   4.211  -3.475
   34    HB3  LEU   5           HB1      LEU   5  53.429   5.901  -3.918
   35    HG   LEU   5           HG       LEU   5  55.436   5.511  -5.649
   36   HD11  LEU   5          HD11      LEU   5  55.408   3.169  -6.529
   37   HD12  LEU   5          HD12      LEU   5  54.401   2.681  -5.147
   38   HD13  LEU   5          HD13      LEU   5  56.061   3.260  -4.879
   39   HD21  LEU   5          HD21      LEU   5  53.774   4.740  -7.342
   40   HD22  LEU   5          HD22      LEU   5  53.114   6.023  -6.298
   41   HD23  LEU   5          HD23      LEU   5  52.647   4.327  -6.029
   42    H    ILE   6           HN       ILE   6  55.931   7.317  -1.277
   43    HA   ILE   6           HA       ILE   6  56.168   9.658  -1.271
   44    HB   ILE   6           HB       ILE   6  57.617   9.443  -3.956
   45   HG12  ILE   6          HG12      ILE   6  58.578   8.257  -1.312
   46   HG13  ILE   6          HG11      ILE   6  58.258   7.368  -2.820
   47   HG21  ILE   6          HG21      ILE   6  57.415  11.549  -2.430
   48   HG22  ILE   6          HG22      ILE   6  59.035  11.105  -3.015
   49   HG23  ILE   6          HG23      ILE   6  58.549  10.709  -1.348
   50   HD11  ILE   6           HD1      ILE   6  60.468   9.376  -2.255
   51   HD12  ILE   6           HD2      ILE   6  60.013   8.918  -3.914
   52   HD13  ILE   6           HD3      ILE   6  60.621   7.685  -2.783
   53    H    LYS   7           HN       LYS   7  56.631  11.095  -3.999
   54    HA   LYS   7           HA       LYS   7  55.170  12.555  -5.092
   55    HB2  LYS   7           HB2      LYS   7  53.135  10.270  -5.057
   56    HB3  LYS   7           HB1      LYS   7  53.176  11.652  -6.178
   57    HG2  LYS   7           HG2      LYS   7  55.288  10.847  -7.143
   58    HG3  LYS   7           HG1      LYS   7  55.328   9.500  -5.979
   59    HD2  LYS   7           HD2      LYS   7  53.127   8.706  -6.904
   60    HD3  LYS   7           HD1      LYS   7  53.232   9.980  -8.142
   61    HE2  LYS   7           HE2      LYS   7  54.076   7.799  -8.993
   62    HE3  LYS   7           HE1      LYS   7  55.357   9.034  -8.963
   63    HZ1  LYS   7           HZ1      LYS   7  55.085   7.500  -6.520
   64    HZ2  LYS   7           HZ2      LYS   7  56.481   7.939  -7.384
   65    HZ3  LYS   7           HZ3      LYS   7  55.569   6.589  -7.867
   66    H    GLY   8           HN       GLY   8  55.554  11.903  -2.493
   67    HA2  GLY   8           HA1      GLY   8  54.857  11.896  -0.379
   68    HA3  GLY   8           HA2      GLY   8  54.348  13.577  -0.800
   69    H    ALA   9           HN       ALA   9  53.393  10.237  -0.371
   70    HA   ALA   9           HA       ALA   9  51.373   9.253   0.094
   71    HB1  ALA   9           HB1      ALA   9  49.775  10.467   1.389
   72    HB2  ALA   9           HB2      ALA   9  50.337  12.028   0.745
   73    HB3  ALA   9           HB3      ALA   9  51.376  11.092   1.847
   74    H    ILE  10           HN       ILE  10  51.900   9.859  -2.564
   75    HA   ILE  10           HA       ILE  10  50.805   9.789  -4.578
   76    HB   ILE  10           HB       ILE  10  48.780   8.912  -2.760
   77   HG12  ILE  10          HG12      ILE  10  47.669   8.074  -4.965
   78   HG13  ILE  10          HG11      ILE  10  49.036   8.851  -5.795
   79   HG21  ILE  10          HG21      ILE  10  47.540  10.839  -4.773
   80   HG22  ILE  10          HG22      ILE  10  47.671  11.152  -3.024
   81   HG23  ILE  10          HG23      ILE  10  46.681   9.798  -3.614
   82   HD11  ILE  10           HD1      ILE  10  49.434   6.422  -5.327
   83   HD12  ILE  10           HD2      ILE  10  49.296   6.757  -3.585
   84   HD13  ILE  10           HD3      ILE  10  50.629   7.466  -4.525
   85    H    HIS  11           HN       HIS  11  49.957  12.257  -2.234
   86    HA   HIS  11           HA       HIS  11  50.339  14.321  -4.243
   87    HB2  HIS  11           HB2      HIS  11  48.032  13.680  -4.825
   88    HB3  HIS  11           HB1      HIS  11  47.533  13.905  -3.131
   89    HD1  HIS  11           HD1      HIS  11  48.891  15.865  -6.124
   90    HD2  HIS  11           HD2      HIS  11  47.028  16.566  -2.417
   91    HE1  HIS  11           HE1      HIS  11  48.288  18.347  -6.030
   92    H    GLY  12           HN       GLY  12  49.441  13.230  -1.028
   93    HA2  GLY  12           HA1      GLY  12  51.044  14.765   0.504
   94    HA3  GLY  12           HA2      GLY  12  49.766  15.940   0.131
   95    H    GLY  13           HN       GLY  13  47.724  13.736   0.005
   96    HA2  GLY  13           HA1      GLY  13  47.637  12.451   2.573
   97    HA3  GLY  13           HA2      GLY  13  46.733  13.976   2.634
   98    H    ARG  14           HN       ARG  14  47.050  11.632  -0.084
   99    HA   ARG  14           HA       ARG  14  45.292  10.597  -1.260
  100    HB2  ARG  14           HB2      ARG  14  43.917  10.499   1.409
  101    HB3  ARG  14           HB1      ARG  14  43.751   9.368   0.059
  102    HG2  ARG  14           HG2      ARG  14  46.078   8.638   0.359
  103    HG3  ARG  14           HG1      ARG  14  46.290   9.808   1.684
  104    HD2  ARG  14           HD2      ARG  14  45.815   7.728   2.756
  105    HD3  ARG  14           HD1      ARG  14  44.294   8.650   2.828
  106    HE   ARG  14           HE       ARG  14  44.195   7.128   0.450
  107   HH11  ARG  14          HH11      ARG  14  42.308   5.742   0.826
  108   HH12  ARG  14          HH12      ARG  14  42.433   4.615   2.135
  109   HH21  ARG  14          HH21      ARG  14  45.297   6.061   3.454
  110   HH22  ARG  14          HH22      ARG  14  44.125   4.797   3.624
  111    H    PHE  15           HN       PHE  15  45.358  13.540  -0.750
  112    HA   PHE  15           HA       PHE  15  44.010  15.375  -1.148
  113    HB2  PHE  15           HB2      PHE  15  42.487  13.196  -2.627
  114    HB3  PHE  15           HB1      PHE  15  41.903  14.874  -2.591
  115    HD1  PHE  15           HD1      PHE  15  44.326  12.547  -4.024
  116    HD2  PHE  15           HD2      PHE  15  43.402  16.727  -3.462
  117    HE1  PHE  15           HE1      PHE  15  45.919  13.146  -5.845
  118    HE2  PHE  15           HE2      PHE  15  44.995  17.323  -5.282
  119    HZ   PHE  15           HZ       PHE  15  46.247  15.532  -6.479
  120    H    ILE  16           HN       ILE  16  43.794  15.341   1.177
  121    HA   ILE  16           HA       ILE  16  42.459  15.844   2.987
  122    HB   ILE  16           HB       ILE  16  39.986  14.934   1.470
  123   HG12  ILE  16          HG12      ILE  16  40.855  16.614   0.019
  124   HG13  ILE  16          HG11      ILE  16  39.718  17.492   1.054
  125   HG21  ILE  16          HG21      ILE  16  40.474  16.710   3.890
  126   HG22  ILE  16          HG22      ILE  16  39.609  15.163   3.824
  127   HG23  ILE  16          HG23      ILE  16  38.911  16.600   3.049
  128   HD11  ILE  16           HD1      ILE  16  41.725  18.094   2.538
  129   HD12  ILE  16           HD2      ILE  16  41.705  18.837   0.927
  130   HD13  ILE  16           HD3      ILE  16  42.758  17.442   1.248
  131    H    HIS  17           HN       HIS  17  41.725  12.829   1.228
  132    HA   HIS  17           HA       HIS  17  42.510  10.964   3.070
  133    HB2  HIS  17           HB2      HIS  17  39.985  12.253   4.069
  134    HB3  HIS  17           HB1      HIS  17  40.040  10.486   4.176
  135    HD1  HIS  17           HD1      HIS  17  40.657  13.231   6.257
  136    HD2  HIS  17           HD2      HIS  17  42.961   9.852   5.275
  137    HE1  HIS  17           HE1      HIS  17  42.367  12.906   8.128
  138    H    GLY  18           HN       GLY  18  42.458  10.638   0.447
  139    HA2  GLY  18           HA1      GLY  18  41.733   8.660  -0.808
  140    HA3  GLY  18           HA2      GLY  18  40.147   8.756  -0.022
  141    H    MET  19           HN       MET  19  39.993  11.569  -0.162
  142    HA   MET  19           HA       MET  19  40.211  13.124  -2.114
  143    HB2  MET  19           HB2      MET  19  40.146  11.727  -4.012
  144    HB3  MET  19           HB1      MET  19  38.643  10.959  -3.490
  145    HG2  MET  19           HG2      MET  19  37.382  12.996  -3.943
  146    HG3  MET  19           HG1      MET  19  38.887  13.896  -4.250
  147    HE1  MET  19           HE1      MET  19  36.898  13.456  -7.669
  148    HE2  MET  19           HE2      MET  19  37.594  14.646  -6.543
  149    HE3  MET  19           HE3      MET  19  36.257  13.596  -6.015
  150    H    ILE  20           HN       ILE  20  39.559  14.482  -0.640
  151    HA   ILE  20           HA       ILE  20  38.007  15.786   0.503
  152    HB   ILE  20           HB       ILE  20  35.832  14.797  -1.399
  153   HG12  ILE  20          HG12      ILE  20  37.963  16.920  -1.933
  154   HG13  ILE  20          HG11      ILE  20  37.798  15.367  -2.780
  155   HG21  ILE  20          HG21      ILE  20  36.308  17.606  -0.317
  156   HG22  ILE  20          HG22      ILE  20  35.422  16.387   0.626
  157   HG23  ILE  20          HG23      ILE  20  34.804  16.902  -0.959
  158   HD11  ILE  20           HD1      ILE  20  35.398  16.139  -3.373
  159   HD12  ILE  20           HD2      ILE  20  36.744  16.948  -4.212
  160   HD13  ILE  20           HD3      ILE  20  35.929  17.758  -2.854
  161    H    GLN  21           HN       GLN  21  38.615  12.967   0.780
  162    HA   GLN  21           HA       GLN  21  38.096  11.396   2.458
  163    HB2  GLN  21           HB2      GLN  21  35.282  12.531   2.750
  164    HB3  GLN  21           HB1      GLN  21  36.157  11.449   3.848
  165    HG2  GLN  21           HG2      GLN  21  37.902  13.427   4.017
  166    HG3  GLN  21           HG1      GLN  21  36.563  14.425   3.407
  167   HE21  GLN  21          HE21      GLN  21  35.619  15.480   5.145
  168   HE22  GLN  21          HE22      GLN  21  35.237  14.707   6.688
  169    H    ASN  22           HN       ASN  22  38.011  11.364  -0.267
  170    HA   ASN  22           HA       ASN  22  37.012  10.416  -2.122
  171    HB2  ASN  22           HB2      ASN  22  36.651   7.945  -1.799
  172    HB3  ASN  22           HB1      ASN  22  38.238   8.599  -1.296
  173   HD21  ASN  22          HD21      ASN  22  38.664   8.817   1.039
  174   HD22  ASN  22          HD22      ASN  22  37.677   7.941   2.212
  175    H    HIS  23           HN       HIS  23  35.347  12.083  -1.551
  176    HA   HIS  23           HA       HIS  23  32.774  11.269  -0.588
  177    HB2  HIS  23           HB2      HIS  23  33.563  13.637  -1.016
  178    HB3  HIS  23           HB1      HIS  23  33.308  13.340  -2.752
  179    HD1  HIS  23           HD1      HIS  23  30.864  13.084  -3.610
  180    HD2  HIS  23           HD2      HIS  23  31.169  13.854   0.515
  181    HE1  HIS  23           HE1      HIS  23  28.523  13.670  -2.770
  182    H    HIS  24           HN       HIS  24  34.039  11.443  -3.947
  183    HA   HIS  24           HA       HIS  24  33.256  10.450  -5.893
  184    HB2  HIS  24           HB2      HIS  24  33.914   8.408  -4.667
  185    HB3  HIS  24           HB1      HIS  24  32.292   8.322  -3.939
  186    HD1  HIS  24           HD1      HIS  24  32.626   9.448  -7.514
  187    HD2  HIS  24           HD2      HIS  24  31.810   5.886  -5.431
  188    HE1  HIS  24           HE1      HIS  24  31.679   7.779  -9.200
  Start of MODEL   84
    1    H1   PHE   1           HT1      PHE   1  55.763   6.111 -13.499
    2    H2   PHE   1           HT2      PHE   1  57.141   6.271 -12.517
    3    H3   PHE   1           HT3      PHE   1  56.859   7.373 -13.778
    4    HA   PHE   1           HA       PHE   1  56.286   8.487 -11.845
    5    HB2  PHE   1           HB2      PHE   1  53.666   7.376 -12.907
    6    HB3  PHE   1           HB1      PHE   1  53.986   8.996 -12.241
    7    HD1  PHE   1           HD1      PHE   1  55.224  10.680 -13.545
    8    HD2  PHE   1           HD2      PHE   1  54.378   6.772 -15.170
    9    HE1  PHE   1           HE1      PHE   1  55.815  11.499 -15.823
   10    HE2  PHE   1           HE2      PHE   1  54.969   7.590 -17.447
   11    HZ   PHE   1           HZ       PHE   1  55.759   9.933 -17.761
   12    H    LEU   2           HN       LEU   2  57.196   6.918 -10.229
   13    HA   LEU   2           HA       LEU   2  55.391   4.992  -9.020
   14    HB2  LEU   2           HB2      LEU   2  58.032   5.180  -8.982
   15    HB3  LEU   2           HB1      LEU   2  57.757   6.206  -7.560
   16    HG   LEU   2           HG       LEU   2  56.767   3.340  -7.939
   17   HD11  LEU   2          HD11      LEU   2  58.384   2.785  -6.200
   18   HD12  LEU   2          HD12      LEU   2  58.815   4.500  -6.000
   19   HD13  LEU   2          HD13      LEU   2  59.229   3.648  -7.506
   20   HD21  LEU   2          HD21      LEU   2  56.343   5.408  -5.743
   21   HD22  LEU   2          HD22      LEU   2  56.224   3.662  -5.416
   22   HD23  LEU   2          HD23      LEU   2  55.125   4.423  -6.589
   23    H    GLY   3           HN       GLY   3  53.470   6.193  -8.666
   24    HA2  GLY   3           HA1      GLY   3  53.617   8.368  -6.617
   25    HA3  GLY   3           HA2      GLY   3  52.231   7.976  -7.653
   26    H    ALA   4           HN       ALA   4  54.089   7.031  -4.798
   27    HA   ALA   4           HA       ALA   4  51.716   6.170  -3.417
   28    HB1  ALA   4           HB1      ALA   4  53.509   4.001  -4.552
   29    HB2  ALA   4           HB2      ALA   4  51.764   4.222  -4.821
   30    HB3  ALA   4           HB3      ALA   4  52.364   3.739  -3.216
   31    H    LEU   5           HN       LEU   5  54.720   4.342  -3.185
   32    HA   LEU   5           HA       LEU   5  55.107   4.871  -0.439
   33    HB2  LEU   5           HB2      LEU   5  56.996   4.052  -2.671
   34    HB3  LEU   5           HB1      LEU   5  57.579   4.259  -1.002
   35    HG   LEU   5           HG       LEU   5  55.852   2.630  -0.222
   36   HD11  LEU   5          HD11      LEU   5  54.112   2.780  -1.842
   37   HD12  LEU   5          HD12      LEU   5  54.836   1.183  -2.126
   38   HD13  LEU   5          HD13      LEU   5  55.234   2.544  -3.202
   39   HD21  LEU   5          HD21      LEU   5  58.153   1.891  -0.789
   40   HD22  LEU   5          HD22      LEU   5  57.650   1.621  -2.476
   41   HD23  LEU   5          HD23      LEU   5  56.961   0.625  -1.171
   42    H    ILE   6           HN       ILE   6  55.480   6.976  -3.100
   43    HA   ILE   6           HA       ILE   6  56.674   9.046  -1.288
   44    HB   ILE   6           HB       ILE   6  58.400   9.682  -2.956
   45   HG12  ILE   6          HG12      ILE   6  57.426   7.201  -4.452
   46   HG13  ILE   6          HG11      ILE   6  57.294   8.884  -5.009
   47   HG21  ILE   6          HG21      ILE   6  58.675   6.704  -2.393
   48   HG22  ILE   6          HG22      ILE   6  58.831   7.944  -1.124
   49   HG23  ILE   6          HG23      ILE   6  59.966   7.927  -2.494
   50   HD11  ILE   6           HD1      ILE   6  59.784   7.173  -4.721
   51   HD12  ILE   6           HD2      ILE   6  59.895   8.950  -4.759
   52   HD13  ILE   6           HD3      ILE   6  59.207   8.069  -6.145
   53    H    LYS   7           HN       LYS   7  57.249  10.742  -3.711
   54    HA   LYS   7           HA       LYS   7  56.012  12.506  -4.580
   55    HB2  LYS   7           HB2      LYS   7  54.962  10.550  -5.995
   56    HB3  LYS   7           HB1      LYS   7  53.607  10.643  -4.844
   57    HG2  LYS   7           HG2      LYS   7  53.363  13.076  -5.375
   58    HG3  LYS   7           HG1      LYS   7  54.658  12.917  -6.585
   59    HD2  LYS   7           HD2      LYS   7  53.289  11.141  -7.732
   60    HD3  LYS   7           HD1      LYS   7  51.969  11.482  -6.588
   61    HE2  LYS   7           HE2      LYS   7  53.241  13.508  -8.481
   62    HE3  LYS   7           HE1      LYS   7  51.657  12.727  -8.711
   63    HZ1  LYS   7           HZ1      LYS   7  52.440  14.480  -6.434
   64    HZ2  LYS   7           HZ2      LYS   7  50.943  13.694  -6.595
   65    HZ3  LYS   7           HZ3      LYS   7  51.399  14.896  -7.705
   66    H    GLY   8           HN       GLY   8  56.292  11.423  -2.116
   67    HA2  GLY   8           HA1      GLY   8  55.631  11.236  -0.005
   68    HA3  GLY   8           HA2      GLY   8  55.328  13.005  -0.188
   69    H    ALA   9           HN       ALA   9  53.888   9.800  -0.650
   70    HA   ALA   9           HA       ALA   9  51.794   8.987  -0.194
   71    HB1  ALA   9           HB1      ALA   9  50.423  10.005   1.429
   72    HB2  ALA   9           HB2      ALA   9  50.976  11.643   1.016
   73    HB3  ALA   9           HB3      ALA   9  52.062  10.529   1.879
   74    H    ILE  10           HN       ILE  10  51.845   9.183  -2.580
   75    HA   ILE  10           HA       ILE  10  51.013   9.974  -4.604
   76    HB   ILE  10           HB       ILE  10  48.408  10.132  -4.581
   77   HG12  ILE  10          HG12      ILE  10  48.877   9.136  -1.727
   78   HG13  ILE  10          HG11      ILE  10  48.185  10.719  -2.165
   79   HG21  ILE  10          HG21      ILE  10  49.778   8.083  -5.150
   80   HG22  ILE  10          HG22      ILE  10  48.196   7.713  -4.434
   81   HG23  ILE  10          HG23      ILE  10  49.668   7.599  -3.441
   82   HD11  ILE  10           HD1      ILE  10  46.474   9.220  -3.564
   83   HD12  ILE  10           HD2      ILE  10  46.239   9.457  -1.818
   84   HD13  ILE  10           HD3      ILE  10  46.979   7.955  -2.420
   85    H    HIS  11           HN       HIS  11  48.256  11.737  -3.866
   86    HA   HIS  11           HA       HIS  11  49.666  14.232  -4.605
   87    HB2  HIS  11           HB2      HIS  11  47.435  13.579  -5.574
   88    HB3  HIS  11           HB1      HIS  11  46.730  13.792  -3.956
   89    HD1  HIS  11           HD1      HIS  11  49.500  16.103  -4.957
   90    HD2  HIS  11           HD2      HIS  11  45.298  16.124  -4.831
   91    HE1  HIS  11           HE1      HIS  11  48.738  18.512  -5.336
   92    H    GLY  12           HN       GLY  12  50.344  13.043  -2.049
   93    HA2  GLY  12           HA1      GLY  12  50.729  13.815   0.105
   94    HA3  GLY  12           HA2      GLY  12  50.129  15.403  -0.415
   95    H    GLY  13           HN       GLY  13  48.408  12.294  -0.517
   96    HA2  GLY  13           HA1      GLY  13  46.436  11.639   0.510
   97    HA3  GLY  13           HA2      GLY  13  46.936  12.630   1.899
   98    H    ARG  14           HN       ARG  14  45.825  13.075  -1.470
   99    HA   ARG  14           HA       ARG  14  43.535  14.679  -0.533
  100    HB2  ARG  14           HB2      ARG  14  45.277  16.399  -0.501
  101    HB3  ARG  14           HB1      ARG  14  45.814  15.933  -2.129
  102    HG2  ARG  14           HG2      ARG  14  44.378  17.984  -2.128
  103    HG3  ARG  14           HG1      ARG  14  43.679  16.666  -3.092
  104    HD2  ARG  14           HD2      ARG  14  42.129  17.979  -1.424
  105    HD3  ARG  14           HD1      ARG  14  42.009  16.206  -1.481
  106    HE   ARG  14           HE       ARG  14  43.944  17.126   0.499
  107   HH11  ARG  14          HH11      ARG  14  41.228  15.284   0.028
  108   HH12  ARG  14          HH12      ARG  14  40.500  15.610   1.566
  109   HH21  ARG  14          HH21      ARG  14  42.750  18.115   2.397
  110   HH22  ARG  14          HH22      ARG  14  41.362  17.213   2.908
  111    H    PHE  15           HN       PHE  15  45.405  12.919  -2.827
  112    HA   PHE  15           HA       PHE  15  44.173  13.392  -5.278
  113    HB2  PHE  15           HB2      PHE  15  45.989  11.693  -4.760
  114    HB3  PHE  15           HB1      PHE  15  44.702  10.608  -4.184
  115    HD1  PHE  15           HD1      PHE  15  43.072   9.635  -5.734
  116    HD2  PHE  15           HD2      PHE  15  46.171  12.289  -7.140
  117    HE1  PHE  15           HE1      PHE  15  42.604   8.939  -8.080
  118    HE2  PHE  15           HE2      PHE  15  45.704  11.593  -9.487
  119    HZ   PHE  15           HZ       PHE  15  43.936   9.899  -9.954
  120    H    ILE  16           HN       ILE  16  42.882  11.558  -2.499
  121    HA   ILE  16           HA       ILE  16  40.281  11.298  -4.001
  122    HB   ILE  16           HB       ILE  16  41.268   9.116  -3.509
  123   HG12  ILE  16          HG12      ILE  16  38.898   9.681  -1.667
  124   HG13  ILE  16          HG11      ILE  16  38.781   9.522  -3.435
  125   HG21  ILE  16          HG21      ILE  16  42.424  10.103  -1.311
  126   HG22  ILE  16          HG22      ILE  16  41.976   8.386  -1.411
  127   HG23  ILE  16          HG23      ILE  16  40.936   9.521  -0.526
  128   HD11  ILE  16           HD1      ILE  16  38.255   7.366  -2.435
  129   HD12  ILE  16           HD2      ILE  16  39.750   7.404  -1.471
  130   HD13  ILE  16           HD3      ILE  16  39.837   7.242  -3.241
  131    H    HIS  17           HN       HIS  17  41.286  11.271  -0.476
  132    HA   HIS  17           HA       HIS  17  39.667  13.678  -0.008
  133    HB2  HIS  17           HB2      HIS  17  38.505  10.941   0.611
  134    HB3  HIS  17           HB1      HIS  17  38.044  12.355   1.581
  135    HD1  HIS  17           HD1      HIS  17  37.687  14.570  -0.386
  136    HD2  HIS  17           HD2      HIS  17  36.489  10.628  -1.233
  137    HE1  HIS  17           HE1      HIS  17  35.918  14.691  -2.225
  138    H    GLY  18           HN       GLY  18  42.307  13.170   0.619
  139    HA2  GLY  18           HA1      GLY  18  43.293  13.997   2.732
  140    HA3  GLY  18           HA2      GLY  18  42.187  12.934   3.622
  141    H    MET  19           HN       MET  19  42.376  10.765   1.846
  142    HA   MET  19           HA       MET  19  44.443   9.582   0.959
  143    HB2  MET  19           HB2      MET  19  46.186  10.233   2.395
  144    HB3  MET  19           HB1      MET  19  45.234   9.906   3.843
  145    HG2  MET  19           HG2      MET  19  45.439   7.518   3.535
  146    HG3  MET  19           HG1      MET  19  46.089   7.739   1.893
  147    HE1  MET  19           HE1      MET  19  48.637   7.251   1.588
  148    HE2  MET  19           HE2      MET  19  47.792   6.055   2.598
  149    HE3  MET  19           HE3      MET  19  49.417   6.617   3.058
  150    H    ILE  20           HN       ILE  20  42.838   8.427   0.167
  151    HA   ILE  20           HA       ILE  20  41.371   6.627   0.074
  152    HB   ILE  20           HB       ILE  20  42.557   5.552   2.678
  153   HG12  ILE  20          HG12      ILE  20  43.718   5.294  -0.139
  154   HG13  ILE  20          HG11      ILE  20  44.447   6.200   1.202
  155   HG21  ILE  20          HG21      ILE  20  41.715   4.025   0.178
  156   HG22  ILE  20          HG22      ILE  20  40.534   4.491   1.420
  157   HG23  ILE  20          HG23      ILE  20  41.888   3.422   1.842
  158   HD11  ILE  20           HD1      ILE  20  44.364   3.972   2.525
  159   HD12  ILE  20           HD2      ILE  20  45.571   4.106   1.224
  160   HD13  ILE  20           HD3      ILE  20  44.066   3.200   0.948
  161    H    GLN  21           HN       GLN  21  41.234   9.129   1.609
  162    HA   GLN  21           HA       GLN  21  39.407  10.191   2.665
  163    HB2  GLN  21           HB2      GLN  21  38.046   7.945   2.187
  164    HB3  GLN  21           HB1      GLN  21  38.403   7.594   3.893
  165    HG2  GLN  21           HG2      GLN  21  37.395   9.761   4.553
  166    HG3  GLN  21           HG1      GLN  21  37.033  10.111   2.845
  167   HE21  GLN  21          HE21      GLN  21  35.509   9.117   5.594
  168   HE22  GLN  21          HE22      GLN  21  34.302   8.034   4.892
  169    H    ASN  22           HN       ASN  22  42.044   9.570   3.318
  170    HA   ASN  22           HA       ASN  22  43.523   9.325   5.061
  171    HB2  ASN  22           HB2      ASN  22  43.016  11.602   5.308
  172    HB3  ASN  22           HB1      ASN  22  41.479  11.260   6.156
  173   HD21  ASN  22          HD21      ASN  22  45.073  10.943   6.475
  174   HD22  ASN  22          HD22      ASN  22  45.062  10.938   8.241
  175    H    HIS  23           HN       HIS  23  42.588   7.115   4.900
  176    HA   HIS  23           HA       HIS  23  40.930   6.092   7.006
  177    HB2  HIS  23           HB2      HIS  23  41.522   4.844   4.941
  178    HB3  HIS  23           HB1      HIS  23  43.194   4.690   5.531
  179    HD1  HIS  23           HD1      HIS  23  40.637   4.528   8.204
  180    HD2  HIS  23           HD2      HIS  23  42.506   1.799   5.607
  181    HE1  HIS  23           HE1      HIS  23  40.260   2.187   9.158
  182    H    HIS  24           HN       HIS  24  44.483   5.632   6.705
  183    HA   HIS  24           HA       HIS  24  44.794   4.875   9.453
  184    HB2  HIS  24           HB2      HIS  24  46.406   4.416   7.548
  185    HB3  HIS  24           HB1      HIS  24  46.914   6.119   7.659
  186    HD1  HIS  24           HD1      HIS  24  47.331   2.779   9.247
  187    HD2  HIS  24           HD2      HIS  24  48.088   6.786  10.278
  188    HE1  HIS  24           HE1      HIS  24  48.936   2.764  11.234
  Start of MODEL   85
    1    H1   PHE   1           HT1      PHE   1  57.418  10.653   7.721
    2    H2   PHE   1           HT2      PHE   1  57.772  12.309   7.851
    3    H3   PHE   1           HT3      PHE   1  58.875  11.154   8.429
    4    HA   PHE   1           HA       PHE   1  58.739  12.314   5.922
    5    HB2  PHE   1           HB2      PHE   1  60.778  11.716   7.198
    6    HB3  PHE   1           HB1      PHE   1  60.401   9.991   6.977
    7    HD1  PHE   1           HD1      PHE   1  60.796   8.881   4.863
    8    HD2  PHE   1           HD2      PHE   1  61.305  13.153   5.214
    9    HE1  PHE   1           HE1      PHE   1  61.904   8.934   2.632
   10    HE2  PHE   1           HE2      PHE   1  62.412  13.206   2.983
   11    HZ   PHE   1           HZ       PHE   1  62.731  11.091   1.702
   12    H    LEU   2           HN       LEU   2  57.019   9.646   7.036
   13    HA   LEU   2           HA       LEU   2  55.918   7.911   5.954
   14    HB2  LEU   2           HB2      LEU   2  56.209   9.515   3.392
   15    HB3  LEU   2           HB1      LEU   2  54.871   8.453   3.896
   16    HG   LEU   2           HG       LEU   2  55.636  11.130   5.148
   17   HD11  LEU   2          HD11      LEU   2  54.440  11.160   2.919
   18   HD12  LEU   2          HD12      LEU   2  53.517  11.905   4.247
   19   HD13  LEU   2          HD13      LEU   2  53.104  10.267   3.684
   20   HD21  LEU   2          HD21      LEU   2  53.590   9.004   5.914
   21   HD22  LEU   2          HD22      LEU   2  53.423  10.703   6.418
   22   HD23  LEU   2          HD23      LEU   2  54.834   9.757   6.940
   23    H    GLY   3           HN       GLY   3  56.102   7.053   3.221
   24    HA2  GLY   3           HA1      GLY   3  58.730   6.594   2.308
   25    HA3  GLY   3           HA2      GLY   3  58.363   5.298   3.462
   26    H    ALA   4           HN       ALA   4  55.499   6.361   2.093
   27    HA   ALA   4           HA       ALA   4  55.037   3.906   0.710
   28    HB1  ALA   4           HB1      ALA   4  52.999   4.908  -0.044
   29    HB2  ALA   4           HB2      ALA   4  53.657   6.550   0.163
   30    HB3  ALA   4           HB3      ALA   4  53.312   5.541   1.589
   31    H    LEU   5           HN       LEU   5  53.802   5.131  -1.701
   32    HA   LEU   5           HA       LEU   5  56.132   4.838  -3.452
   33    HB2  LEU   5           HB2      LEU   5  53.361   5.762  -4.285
   34    HB3  LEU   5           HB1      LEU   5  54.570   4.870  -5.240
   35    HG   LEU   5           HG       LEU   5  53.053   3.812  -2.812
   36   HD11  LEU   5          HD11      LEU   5  51.981   2.321  -4.436
   37   HD12  LEU   5          HD12      LEU   5  52.958   3.013  -5.754
   38   HD13  LEU   5          HD13      LEU   5  51.736   4.013  -4.931
   39   HD21  LEU   5          HD21      LEU   5  55.214   2.781  -2.770
   40   HD22  LEU   5          HD22      LEU   5  55.271   2.644  -4.544
   41   HD23  LEU   5          HD23      LEU   5  54.165   1.613  -3.606
   42    H    ILE   6           HN       ILE   6  55.896   7.171  -1.516
   43    HA   ILE   6           HA       ILE   6  56.212   9.494  -1.506
   44    HB   ILE   6           HB       ILE   6  57.582   9.278  -4.230
   45   HG12  ILE   6          HG12      ILE   6  58.566   7.996  -1.639
   46   HG13  ILE   6          HG11      ILE   6  58.187   7.158  -3.161
   47   HG21  ILE   6          HG21      ILE   6  57.494  11.355  -2.648
   48   HG22  ILE   6          HG22      ILE   6  59.078  10.872  -3.297
   49   HG23  ILE   6          HG23      ILE   6  58.635  10.452  -1.625
   50   HD11  ILE   6           HD1      ILE   6  60.469   9.084  -2.594
   51   HD12  ILE   6           HD2      ILE   6  59.969   8.675  -4.253
   52   HD13  ILE   6           HD3      ILE   6  60.562   7.401  -3.160
   53    H    LYS   7           HN       LYS   7  56.634  10.991  -4.178
   54    HA   LYS   7           HA       LYS   7  55.174  12.504  -5.198
   55    HB2  LYS   7           HB2      LYS   7  53.039  10.322  -5.248
   56    HB3  LYS   7           HB1      LYS   7  53.272  11.655  -6.403
   57    HG2  LYS   7           HG2      LYS   7  55.174   9.301  -6.011
   58    HG3  LYS   7           HG1      LYS   7  54.020   9.485  -7.352
   59    HD2  LYS   7           HD2      LYS   7  55.176  11.715  -7.870
   60    HD3  LYS   7           HD1      LYS   7  56.443  11.217  -6.721
   61    HE2  LYS   7           HE2      LYS   7  57.093  10.596  -9.012
   62    HE3  LYS   7           HE1      LYS   7  56.796   9.133  -8.042
   63    HZ1  LYS   7           HZ1      LYS   7  55.762   9.174 -10.318
   64    HZ2  LYS   7           HZ2      LYS   7  54.715  10.385  -9.754
   65    HZ3  LYS   7           HZ3      LYS   7  54.696   8.843  -9.042
   66    H    GLY   8           HN       GLY   8  55.569  11.748  -2.629
   67    HA2  GLY   8           HA1      GLY   8  54.902  11.689  -0.510
   68    HA3  GLY   8           HA2      GLY   8  54.365  13.374  -0.876
   69    H    ALA   9           HN       ALA   9  53.465  10.025  -0.452
   70    HA   ALA   9           HA       ALA   9  51.440   8.992  -0.098
   71    HB1  ALA   9           HB1      ALA   9  51.543  10.695   1.805
   72    HB2  ALA   9           HB2      ALA   9  49.931  10.064   1.391
   73    HB3  ALA   9           HB3      ALA   9  50.421  11.684   0.845
   74    H    ILE  10           HN       ILE  10  51.895   9.925  -2.703
   75    HA   ILE  10           HA       ILE  10  50.720   9.987  -4.670
   76    HB   ILE  10           HB       ILE  10  48.763   8.941  -2.925
   77   HG12  ILE  10          HG12      ILE  10  48.537   9.425  -5.930
   78   HG13  ILE  10          HG11      ILE  10  49.407   8.077  -5.160
   79   HG21  ILE  10          HG21      ILE  10  47.720  11.289  -2.860
   80   HG22  ILE  10          HG22      ILE  10  46.652   9.981  -3.397
   81   HG23  ILE  10          HG23      ILE  10  47.378  11.079  -4.592
   82   HD11  ILE  10           HD1      ILE  10  47.100   7.601  -3.969
   83   HD12  ILE  10           HD2      ILE  10  47.318   7.106  -5.664
   84   HD13  ILE  10           HD3      ILE  10  46.422   8.594  -5.283
   85    H    HIS  11           HN       HIS  11  49.717  12.251  -2.121
   86    HA   HIS  11           HA       HIS  11  50.265  14.495  -3.889
   87    HB2  HIS  11           HB2      HIS  11  48.030  13.797  -4.748
   88    HB3  HIS  11           HB1      HIS  11  47.359  14.034  -3.116
   89    HD1  HIS  11           HD1      HIS  11  46.383  16.287  -2.714
   90    HD2  HIS  11           HD2      HIS  11  49.350  16.366  -5.693
   91    HE1  HIS  11           HE1      HIS  11  46.543  18.690  -3.568
   92    H    GLY  12           HN       GLY  12  49.930  13.050  -0.920
   93    HA2  GLY  12           HA1      GLY  12  50.643  14.016   1.120
   94    HA3  GLY  12           HA2      GLY  12  50.400  15.639   0.454
   95    H    GLY  13           HN       GLY  13  48.116  12.893   0.528
   96    HA2  GLY  13           HA1      GLY  13  46.638  13.461   2.795
   97    HA3  GLY  13           HA2      GLY  13  46.032  14.629   1.609
   98    H    ARG  14           HN       ARG  14  47.135  11.850   0.012
   99    HA   ARG  14           HA       ARG  14  45.869  10.211  -1.100
  100    HB2  ARG  14           HB2      ARG  14  44.102  10.158   1.325
  101    HB3  ARG  14           HB1      ARG  14  44.579   8.817   0.270
  102    HG2  ARG  14           HG2      ARG  14  46.919   9.032   1.070
  103    HG3  ARG  14           HG1      ARG  14  46.410  10.327   2.178
  104    HD2  ARG  14           HD2      ARG  14  45.054   7.610   2.238
  105    HD3  ARG  14           HD1      ARG  14  46.565   7.908   3.129
  106    HE   ARG  14           HE       ARG  14  43.928   8.944   3.834
  107   HH11  ARG  14          HH11      ARG  14  44.314  11.337   4.500
  108   HH12  ARG  14          HH12      ARG  14  45.584  11.505   5.665
  109   HH21  ARG  14          HH21      ARG  14  46.877   8.337   5.105
  110   HH22  ARG  14          HH22      ARG  14  47.034   9.805   6.009
  111    H    PHE  15           HN       PHE  15  45.148  13.151  -0.950
  112    HA   PHE  15           HA       PHE  15  43.595  14.531  -1.923
  113    HB2  PHE  15           HB2      PHE  15  43.758  12.724  -3.740
  114    HB3  PHE  15           HB1      PHE  15  42.253  12.062  -3.073
  115    HD1  PHE  15           HD1      PHE  15  43.798  15.181  -4.466
  116    HD2  PHE  15           HD2      PHE  15  40.138  13.055  -3.622
  117    HE1  PHE  15           HE1      PHE  15  42.509  16.897  -5.731
  118    HE2  PHE  15           HE2      PHE  15  38.850  14.769  -4.890
  119    HZ   PHE  15           HZ       PHE  15  40.045  16.649  -6.006
  120    H    ILE  16           HN       ILE  16  43.269  13.736   0.681
  121    HA   ILE  16           HA       ILE  16  41.551  14.574   2.141
  122    HB   ILE  16           HB       ILE  16  39.528  13.161   0.338
  123   HG12  ILE  16          HG12      ILE  16  39.491  16.126   1.025
  124   HG13  ILE  16          HG11      ILE  16  40.633  15.588  -0.213
  125   HG21  ILE  16          HG21      ILE  16  38.739  12.918   2.566
  126   HG22  ILE  16          HG22      ILE  16  37.899  14.354   1.940
  127   HG23  ILE  16          HG23      ILE  16  39.294  14.544   3.029
  128   HD11  ILE  16           HD1      ILE  16  38.573  16.255  -1.306
  129   HD12  ILE  16           HD2      ILE  16  37.609  15.212  -0.236
  130   HD13  ILE  16           HD3      ILE  16  38.715  14.488  -1.429
  131    H    HIS  17           HN       HIS  17  41.724  11.327   0.706
  132    HA   HIS  17           HA       HIS  17  42.605   9.936   2.936
  133    HB2  HIS  17           HB2      HIS  17  39.710  10.627   3.277
  134    HB3  HIS  17           HB1      HIS  17  40.112   8.936   3.609
  135    HD1  HIS  17           HD1      HIS  17  42.897  11.290   4.326
  136    HD2  HIS  17           HD2      HIS  17  39.659   9.596   6.410
  137    HE1  HIS  17           HE1      HIS  17  43.306  11.679   6.817
  138    H    GLY  18           HN       GLY  18  42.854   9.673   0.150
  139    HA2  GLY  18           HA1      GLY  18  43.151   7.442  -0.905
  140    HA3  GLY  18           HA2      GLY  18  41.532   6.997  -0.321
  141    H    MET  19           HN       MET  19  40.304   9.371  -0.696
  142    HA   MET  19           HA       MET  19  40.303  10.823  -2.859
  143    HB2  MET  19           HB2      MET  19  39.883   8.081  -3.902
  144    HB3  MET  19           HB1      MET  19  38.700   9.256  -4.489
  145    HG2  MET  19           HG2      MET  19  40.348  10.573  -5.549
  146    HG3  MET  19           HG1      MET  19  41.666   9.905  -4.559
  147    HE1  MET  19           HE1      MET  19  39.988   9.775  -8.010
  148    HE2  MET  19           HE2      MET  19  38.800   9.061  -6.893
  149    HE3  MET  19           HE3      MET  19  39.533   8.062  -8.171
  150    H    ILE  20           HN       ILE  20  39.251  12.004  -1.378
  151    HA   ILE  20           HA       ILE  20  37.315  12.871  -0.403
  152    HB   ILE  20           HB       ILE  20  35.613  11.140  -2.253
  153   HG12  ILE  20          HG12      ILE  20  37.062  13.740  -2.951
  154   HG13  ILE  20          HG11      ILE  20  37.352  12.148  -3.685
  155   HG21  ILE  20          HG21      ILE  20  34.672  12.696  -0.385
  156   HG22  ILE  20          HG22      ILE  20  33.995  12.873  -2.016
  157   HG23  ILE  20          HG23      ILE  20  35.198  14.042  -1.420
  158   HD11  ILE  20           HD1      ILE  20  34.900  13.919  -3.936
  159   HD12  ILE  20           HD2      ILE  20  34.837  12.181  -4.322
  160   HD13  ILE  20           HD3      ILE  20  35.927  13.258  -5.228
  161    H    GLN  21           HN       GLN  21  38.689  10.267  -0.026
  162    HA   GLN  21           HA       GLN  21  38.575   8.797   1.843
  163    HB2  GLN  21           HB2      GLN  21  36.443  10.154   2.656
  164    HB3  GLN  21           HB1      GLN  21  35.533   8.846   1.865
  165    HG2  GLN  21           HG2      GLN  21  36.769   7.173   3.227
  166    HG3  GLN  21           HG1      GLN  21  37.649   8.492   4.036
  167   HE21  GLN  21          HE21      GLN  21  35.659   6.467   5.169
  168   HE22  GLN  21          HE22      GLN  21  34.413   7.467   5.924
  169    H    ASN  22           HN       ASN  22  38.641   8.634  -0.933
  170    HA   ASN  22           HA       ASN  22  38.184   7.267  -2.731
  171    HB2  ASN  22           HB2      ASN  22  38.609   4.842  -2.211
  172    HB3  ASN  22           HB1      ASN  22  39.854   5.992  -1.639
  173   HD21  ASN  22          HD21      ASN  22  40.460   5.742   0.514
  174   HD22  ASN  22          HD22      ASN  22  39.458   4.981   1.753
  175    H    HIS  23           HN       HIS  23  35.992   8.380  -2.161
  176    HA   HIS  23           HA       HIS  23  33.671   8.170  -2.271
  177    HB2  HIS  23           HB2      HIS  23  34.390   5.502  -3.550
  178    HB3  HIS  23           HB1      HIS  23  32.806   6.308  -3.649
  179    HD1  HIS  23           HD1      HIS  23  33.435   9.169  -4.252
  180    HD2  HIS  23           HD2      HIS  23  35.669   6.028  -5.933
  181    HE1  HIS  23           HE1      HIS  23  34.534  10.068  -6.376
  182    H    HIS  24           HN       HIS  24  33.282   8.111  -0.037
  183    HA   HIS  24           HA       HIS  24  32.547   7.168   1.953
  184    HB2  HIS  24           HB2      HIS  24  31.498   4.954   0.148
  185    HB3  HIS  24           HB1      HIS  24  30.893   5.406   1.761
  186    HD1  HIS  24           HD1      HIS  24  29.598   7.683   1.993
  187    HD2  HIS  24           HD2      HIS  24  30.697   6.703  -1.946
  188    HE1  HIS  24           HE1      HIS  24  28.262   9.199   0.431
  Start of MODEL   86
    1    H1   PHE   1           HT1      PHE   1  63.239   5.832   0.212
    2    H2   PHE   1           HT2      PHE   1  62.887   7.132   1.247
    3    H3   PHE   1           HT3      PHE   1  61.676   6.487   0.245
    4    HA   PHE   1           HA       PHE   1  63.045   4.985   2.381
    5    HB2  PHE   1           HB2      PHE   1  60.395   6.482   2.370
    6    HB3  PHE   1           HB1      PHE   1  60.849   5.272   3.595
    7    HD1  PHE   1           HD1      PHE   1  63.001   5.630   4.934
    8    HD2  PHE   1           HD2      PHE   1  61.208   8.727   2.521
    9    HE1  PHE   1           HE1      PHE   1  64.300   7.352   6.180
   10    HE2  PHE   1           HE2      PHE   1  62.508  10.450   3.768
   11    HZ   PHE   1           HZ       PHE   1  64.024   9.765   5.623
   12    H    LEU   2           HN       LEU   2  59.657   5.119   1.343
   13    HA   LEU   2           HA       LEU   2  59.548   2.234   1.079
   14    HB2  LEU   2           HB2      LEU   2  57.537   4.225  -0.029
   15    HB3  LEU   2           HB1      LEU   2  57.250   2.551   0.498
   16    HG   LEU   2           HG       LEU   2  58.119   4.847   2.316
   17   HD11  LEU   2          HD11      LEU   2  55.802   5.105   1.505
   18   HD12  LEU   2          HD12      LEU   2  55.813   4.647   3.226
   19   HD13  LEU   2          HD13      LEU   2  55.437   3.430   1.982
   20   HD21  LEU   2          HD21      LEU   2  58.945   2.816   3.272
   21   HD22  LEU   2          HD22      LEU   2  57.504   1.897   2.776
   22   HD23  LEU   2          HD23      LEU   2  57.391   3.093   4.090
   23    H    GLY   3           HN       GLY   3  60.504   4.792  -1.015
   24    HA2  GLY   3           HA1      GLY   3  61.037   4.831  -3.267
   25    HA3  GLY   3           HA2      GLY   3  61.422   3.111  -3.064
   26    H    ALA   4           HN       ALA   4  58.238   4.627  -2.649
   27    HA   ALA   4           HA       ALA   4  57.296   3.848  -5.292
   28    HB1  ALA   4           HB1      ALA   4  55.669   2.140  -4.469
   29    HB2  ALA   4           HB2      ALA   4  56.495   2.166  -2.893
   30    HB3  ALA   4           HB3      ALA   4  57.365   1.617  -4.345
   31    H    LEU   5           HN       LEU   5  55.430   3.530  -2.292
   32    HA   LEU   5           HA       LEU   5  53.570   5.589  -3.195
   33    HB2  LEU   5           HB2      LEU   5  53.717   4.402  -0.404
   34    HB3  LEU   5           HB1      LEU   5  52.294   5.032  -1.268
   35    HG   LEU   5           HG       LEU   5  53.884   2.524  -1.968
   36   HD11  LEU   5          HD11      LEU   5  50.981   2.862  -1.101
   37   HD12  LEU   5          HD12      LEU   5  52.303   2.431   0.009
   38   HD13  LEU   5          HD13      LEU   5  51.867   1.335  -1.325
   39   HD21  LEU   5          HD21      LEU   5  51.916   2.249  -3.636
   40   HD22  LEU   5          HD22      LEU   5  53.166   3.440  -4.058
   41   HD23  LEU   5          HD23      LEU   5  51.612   3.984  -3.380
   42    H    ILE   6           HN       ILE   6  55.163   7.330  -3.431
   43    HA   ILE   6           HA       ILE   6  55.529   8.780  -0.782
   44    HB   ILE   6           HB       ILE   6  57.690   9.659  -1.634
   45   HG12  ILE   6          HG12      ILE   6  57.168   7.803  -4.006
   46   HG13  ILE   6          HG11      ILE   6  57.235   9.579  -4.056
   47   HG21  ILE   6          HG21      ILE   6  57.741   6.632  -1.927
   48   HG22  ILE   6          HG22      ILE   6  57.508   7.437  -0.358
   49   HG23  ILE   6          HG23      ILE   6  59.010   7.695  -1.273
   50   HD11  ILE   6           HD1      ILE   6  59.499   7.613  -3.581
   51   HD12  ILE   6           HD2      ILE   6  59.639   9.317  -3.084
   52   HD13  ILE   6           HD3      ILE   6  59.385   8.906  -4.797
   53    H    LYS   7           HN       LYS   7  56.835  11.016  -2.332
   54    HA   LYS   7           HA       LYS   7  55.927  13.068  -2.963
   55    HB2  LYS   7           HB2      LYS   7  55.387  11.744  -5.147
   56    HB3  LYS   7           HB1      LYS   7  53.764  11.510  -4.464
   57    HG2  LYS   7           HG2      LYS   7  53.431  13.461  -5.728
   58    HG3  LYS   7           HG1      LYS   7  53.821  14.147  -4.137
   59    HD2  LYS   7           HD2      LYS   7  55.258  15.394  -5.509
   60    HD3  LYS   7           HD1      LYS   7  56.335  14.058  -5.054
   61    HE2  LYS   7           HE2      LYS   7  55.783  12.883  -7.165
   62    HE3  LYS   7           HE1      LYS   7  54.672  14.199  -7.611
   63    HZ1  LYS   7           HZ1      LYS   7  57.306  15.108  -6.880
   64    HZ2  LYS   7           HZ2      LYS   7  56.359  15.493  -8.237
   65    HZ3  LYS   7           HZ3      LYS   7  57.309  14.085  -8.233
   66    H    GLY   8           HN       GLY   8  55.434  11.327  -0.951
   67    HA2  GLY   8           HA1      GLY   8  54.152  10.621   0.715
   68    HA3  GLY   8           HA2      GLY   8  53.880  12.389   0.960
   69    H    ALA   9           HN       ALA   9  52.592   9.352  -0.022
   70    HA   ALA   9           HA       ALA   9  50.530   8.661  -0.790
   71    HB1  ALA   9           HB1      ALA   9  48.620   9.696   0.532
   72    HB2  ALA   9           HB2      ALA   9  49.828  10.775   1.269
   73    HB3  ALA   9           HB3      ALA   9  49.947   9.015   1.502
   74    H    ILE  10           HN       ILE  10  51.634  10.202  -2.663
   75    HA   ILE  10           HA       ILE  10  51.305  11.858  -4.263
   76    HB   ILE  10           HB       ILE  10  48.971  11.510  -5.454
   77   HG12  ILE  10          HG12      ILE  10  48.084  10.246  -3.322
   78   HG13  ILE  10          HG11      ILE  10  47.688   9.616  -4.922
   79   HG21  ILE  10          HG21      ILE  10  51.182   9.435  -5.262
   80   HG22  ILE  10          HG22      ILE  10  50.963  10.717  -6.474
   81   HG23  ILE  10          HG23      ILE  10  49.855   9.326  -6.443
   82   HD11  ILE  10           HD1      ILE  10  49.245   7.828  -4.741
   83   HD12  ILE  10           HD2      ILE  10  48.479   7.914  -3.142
   84   HD13  ILE  10           HD3      ILE  10  50.103   8.581  -3.381
   85    H    HIS  11           HN       HIS  11  47.841  11.932  -3.712
   86    HA   HIS  11           HA       HIS  11  47.751  14.747  -3.644
   87    HB2  HIS  11           HB2      HIS  11  45.749  12.971  -2.220
   88    HB3  HIS  11           HB1      HIS  11  45.473  14.537  -3.023
   89    HD1  HIS  11           HD1      HIS  11  46.899  14.114  -5.703
   90    HD2  HIS  11           HD2      HIS  11  44.351  11.276  -3.934
   91    HE1  HIS  11           HE1      HIS  11  46.086  12.558  -7.558
   92    H    GLY  12           HN       GLY  12  49.178  12.776  -1.310
   93    HA2  GLY  12           HA1      GLY  12  48.260  14.230   1.053
   94    HA3  GLY  12           HA2      GLY  12  49.640  13.118   0.957
   95    H    GLY  13           HN       GLY  13  49.760  15.340  -1.529
   96    HA2  GLY  13           HA1      GLY  13  50.889  17.615  -0.166
   97    HA3  GLY  13           HA2      GLY  13  52.167  16.542  -0.774
   98    H    ARG  14           HN       ARG  14  50.370  15.643  -3.011
   99    HA   ARG  14           HA       ARG  14  51.262  17.595  -4.945
  100    HB2  ARG  14           HB2      ARG  14  50.773  15.047  -5.221
  101    HB3  ARG  14           HB1      ARG  14  49.080  15.537  -5.442
  102    HG2  ARG  14           HG2      ARG  14  51.431  16.606  -7.081
  103    HG3  ARG  14           HG1      ARG  14  50.341  15.307  -7.606
  104    HD2  ARG  14           HD2      ARG  14  48.445  17.124  -7.060
  105    HD3  ARG  14           HD1      ARG  14  49.789  18.260  -7.329
  106    HE   ARG  14           HE       ARG  14  49.861  16.471  -9.491
  107   HH11  ARG  14          HH11      ARG  14  48.078  19.093  -8.199
  108   HH12  ARG  14          HH12      ARG  14  47.091  19.302  -9.606
  109   HH21  ARG  14          HH21      ARG  14  48.400  16.551 -11.259
  110   HH22  ARG  14          HH22      ARG  14  47.272  17.863 -11.339
  111    H    PHE  15           HN       PHE  15  47.992  16.675  -3.753
  112    HA   PHE  15           HA       PHE  15  46.368  18.381  -5.164
  113    HB2  PHE  15           HB2      PHE  15  45.547  16.870  -3.421
  114    HB3  PHE  15           HB1      PHE  15  46.272  17.895  -2.161
  115    HD1  PHE  15           HD1      PHE  15  43.776  17.897  -4.966
  116    HD2  PHE  15           HD2      PHE  15  45.102  19.805  -1.327
  117    HE1  PHE  15           HE1      PHE  15  41.731  19.321  -4.967
  118    HE2  PHE  15           HE2      PHE  15  43.056  21.228  -1.328
  119    HZ   PHE  15           HZ       PHE  15  41.397  21.023  -3.177
  120    H    ILE  16           HN       ILE  16  47.392  20.261  -5.840
  121    HA   ILE  16           HA       ILE  16  48.361  22.391  -5.606
  122    HB   ILE  16           HB       ILE  16  46.684  23.991  -4.601
  123   HG12  ILE  16          HG12      ILE  16  45.040  21.452  -4.141
  124   HG13  ILE  16          HG11      ILE  16  45.867  22.327  -2.839
  125   HG21  ILE  16          HG21      ILE  16  46.612  23.055  -6.987
  126   HG22  ILE  16          HG22      ILE  16  45.067  23.657  -6.354
  127   HG23  ILE  16          HG23      ILE  16  45.386  21.907  -6.410
  128   HD11  ILE  16           HD1      ILE  16  44.575  24.421  -3.671
  129   HD12  ILE  16           HD2      ILE  16  43.648  23.173  -2.807
  130   HD13  ILE  16           HD3      ILE  16  43.566  23.270  -4.580
  131    H    HIS  17           HN       HIS  17  49.967  21.156  -4.034
  132    HA   HIS  17           HA       HIS  17  50.476  23.071  -1.887
  133    HB2  HIS  17           HB2      HIS  17  48.814  21.611  -0.759
  134    HB3  HIS  17           HB1      HIS  17  49.825  20.193  -1.126
  135    HD1  HIS  17           HD1      HIS  17  50.357  23.655   0.494
  136    HD2  HIS  17           HD2      HIS  17  51.438  19.626   1.029
  137    HE1  HIS  17           HE1      HIS  17  51.856  23.535   2.560
  138    H    GLY  18           HN       GLY  18  51.189  20.513  -3.996
  139    HA2  GLY  18           HA1      GLY  18  54.101  20.782  -3.399
  140    HA3  GLY  18           HA2      GLY  18  53.379  19.156  -3.424
  141    H    MET  19           HN       MET  19  52.846  22.087  -5.354
  142    HA   MET  19           HA       MET  19  54.124  21.204  -7.779
  143    HB2  MET  19           HB2      MET  19  52.330  19.588  -7.649
  144    HB3  MET  19           HB1      MET  19  51.179  20.910  -7.554
  145    HG2  MET  19           HG2      MET  19  51.815  21.681  -9.798
  146    HG3  MET  19           HG1      MET  19  53.091  20.445  -9.879
  147    HE1  MET  19           HE1      MET  19  49.976  19.675 -12.356
  148    HE2  MET  19           HE2      MET  19  51.578  20.443 -12.246
  149    HE3  MET  19           HE3      MET  19  50.149  21.265 -11.575
  150    H    ILE  20           HN       ILE  20  51.029  22.734  -6.734
  151    HA   ILE  20           HA       ILE  20  51.552  25.098  -8.408
  152    HB   ILE  20           HB       ILE  20  49.616  24.489  -6.115
  153   HG12  ILE  20          HG12      ILE  20  47.926  24.804  -7.841
  154   HG13  ILE  20          HG11      ILE  20  49.143  25.406  -8.987
  155   HG21  ILE  20          HG21      ILE  20  48.675  26.826  -6.614
  156   HG22  ILE  20          HG22      ILE  20  50.209  27.164  -7.448
  157   HG23  ILE  20          HG23      ILE  20  50.205  26.788  -5.708
  158   HD11  ILE  20           HD1      ILE  20  50.171  23.263  -9.198
  159   HD12  ILE  20           HD2      ILE  20  48.421  22.943  -9.262
  160   HD13  ILE  20           HD3      ILE  20  49.329  22.627  -7.764
  161    H    GLN  21           HN       GLN  21  52.794  23.524  -5.841
  162    HA   GLN  21           HA       GLN  21  54.252  25.887  -4.760
  163    HB2  GLN  21           HB2      GLN  21  52.612  24.755  -3.145
  164    HB3  GLN  21           HB1      GLN  21  53.625  23.300  -3.281
  165    HG2  GLN  21           HG2      GLN  21  54.405  24.493  -1.342
  166    HG3  GLN  21           HG1      GLN  21  55.613  24.764  -2.620
  167   HE21  GLN  21          HE21      GLN  21  52.449  26.284  -1.628
  168   HE22  GLN  21          HE22      GLN  21  53.061  27.937  -1.746
  169    H    ASN  22           HN       ASN  22  54.217  22.534  -6.216
  170    HA   ASN  22           HA       ASN  22  57.281  22.647  -5.920
  171    HB2  ASN  22           HB2      ASN  22  55.949  20.678  -4.847
  172    HB3  ASN  22           HB1      ASN  22  55.756  20.102  -6.516
  173   HD21  ASN  22          HD21      ASN  22  58.212  20.937  -4.023
  174   HD22  ASN  22          HD22      ASN  22  59.502  19.987  -4.766
  175    H    HIS  23           HN       HIS  23  55.428  23.854  -8.008
  176    HA   HIS  23           HA       HIS  23  55.319  23.988 -10.331
  177    HB2  HIS  23           HB2      HIS  23  58.197  23.019 -10.150
  178    HB3  HIS  23           HB1      HIS  23  57.470  24.004 -11.441
  179    HD1  HIS  23           HD1      HIS  23  55.780  25.825  -9.364
  180    HD2  HIS  23           HD2      HIS  23  59.932  25.164  -9.375
  181    HE1  HIS  23           HE1      HIS  23  56.862  27.759  -8.094
  182    H    HIS  24           HN       HIS  24  56.366  22.700 -12.448
  183    HA   HIS  24           HA       HIS  24  55.965  20.834 -13.768
  184    HB2  HIS  24           HB2      HIS  24  57.863  19.971 -12.432
  185    HB3  HIS  24           HB1      HIS  24  56.718  19.353 -11.219
  186    HD1  HIS  24           HD1      HIS  24  55.197  19.033 -14.495
  187    HD2  HIS  24           HD2      HIS  24  57.911  16.764 -12.221
  188    HE1  HIS  24           HE1      HIS  24  55.272  16.692 -15.514
  Start of MODEL   87
    1    H1   PHE   1           HT1      PHE   1  58.684  -2.265  -4.114
    2    H2   PHE   1           HT2      PHE   1  59.369  -3.433  -5.140
    3    H3   PHE   1           HT3      PHE   1  57.756  -3.587  -4.626
    4    HA   PHE   1           HA       PHE   1  58.926  -1.880  -6.663
    5    HB2  PHE   1           HB2      PHE   1  57.620  -3.936  -7.193
    6    HB3  PHE   1           HB1      PHE   1  56.214  -3.231  -6.360
    7    HD1  PHE   1           HD1      PHE   1  58.520  -2.877  -9.265
    8    HD2  PHE   1           HD2      PHE   1  54.912  -1.452  -7.373
    9    HE1  PHE   1           HE1      PHE   1  57.927  -1.627 -11.339
   10    HE2  PHE   1           HE2      PHE   1  54.318  -0.203  -9.446
   11    HZ   PHE   1           HZ       PHE   1  55.788  -0.353 -11.453
   12    H    LEU   2           HN       LEU   2  58.581   0.234  -6.791
   13    HA   LEU   2           HA       LEU   2  56.799   1.512  -4.789
   14    HB2  LEU   2           HB2      LEU   2  57.739   3.636  -5.969
   15    HB3  LEU   2           HB1      LEU   2  58.848   2.662  -4.981
   16    HG   LEU   2           HG       LEU   2  58.630   1.908  -7.904
   17   HD11  LEU   2          HD11      LEU   2  60.115   4.390  -6.934
   18   HD12  LEU   2          HD12      LEU   2  58.725   4.363  -8.047
   19   HD13  LEU   2          HD13      LEU   2  60.280   3.653  -8.545
   20   HD21  LEU   2          HD21      LEU   2  60.147   0.821  -6.102
   21   HD22  LEU   2          HD22      LEU   2  61.110   2.313  -6.175
   22   HD23  LEU   2          HD23      LEU   2  60.927   1.300  -7.627
   23    H    GLY   3           HN       GLY   3  55.239   3.144  -5.405
   24    HA2  GLY   3           HA1      GLY   3  54.340   3.498  -8.090
   25    HA3  GLY   3           HA2      GLY   3  53.386   2.203  -7.338
   26    H    ALA   4           HN       ALA   4  54.246   3.976  -4.776
   27    HA   ALA   4           HA       ALA   4  52.594   6.333  -5.035
   28    HB1  ALA   4           HB1      ALA   4  50.817   4.583  -5.074
   29    HB2  ALA   4           HB2      ALA   4  50.704   5.660  -3.661
   30    HB3  ALA   4           HB3      ALA   4  51.376   4.021  -3.481
   31    H    LEU   5           HN       LEU   5  55.031   4.697  -3.777
   32    HA   LEU   5           HA       LEU   5  54.861   5.173  -0.952
   33    HB2  LEU   5           HB2      LEU   5  56.569   3.802  -2.551
   34    HB3  LEU   5           HB1      LEU   5  57.542   5.271  -2.337
   35    HG   LEU   5           HG       LEU   5  56.402   3.512  -0.113
   36   HD11  LEU   5          HD11      LEU   5  58.340   2.554  -1.346
   37   HD12  LEU   5          HD12      LEU   5  58.772   2.989   0.324
   38   HD13  LEU   5          HD13      LEU   5  59.266   4.039  -1.025
   39   HD21  LEU   5          HD21      LEU   5  57.898   6.165  -0.097
   40   HD22  LEU   5          HD22      LEU   5  57.977   5.049   1.289
   41   HD23  LEU   5          HD23      LEU   5  56.413   5.718   0.775
   42    H    ILE   6           HN       ILE   6  55.962   7.133  -3.704
   43    HA   ILE   6           HA       ILE   6  56.393   9.470  -1.794
   44    HB   ILE   6           HB       ILE   6  57.426   9.465  -4.672
   45   HG12  ILE   6          HG12      ILE   6  58.747   8.040  -2.313
   46   HG13  ILE   6          HG11      ILE   6  58.182   7.289  -3.824
   47   HG21  ILE   6          HG21      ILE   6  58.791  10.482  -2.148
   48   HG22  ILE   6          HG22      ILE   6  57.499  11.423  -2.928
   49   HG23  ILE   6          HG23      ILE   6  58.985  11.041  -3.826
   50   HD11  ILE   6           HD1      ILE   6  60.482   9.243  -3.451
   51   HD12  ILE   6           HD2      ILE   6  59.782   8.889  -5.049
   52   HD13  ILE   6           HD3      ILE   6  60.541   7.588  -4.100
   53    H    LYS   7           HN       LYS   7  56.476  11.151  -4.378
   54    HA   LYS   7           HA       LYS   7  54.892  12.701  -5.109
   55    HB2  LYS   7           HB2      LYS   7  52.847  10.428  -5.076
   56    HB3  LYS   7           HB1      LYS   7  52.815  11.898  -6.080
   57    HG2  LYS   7           HG2      LYS   7  54.921  11.107  -7.208
   58    HG3  LYS   7           HG1      LYS   7  54.796   9.590  -6.285
   59    HD2  LYS   7           HD2      LYS   7  52.458   9.311  -7.252
   60    HD3  LYS   7           HD1      LYS   7  52.814  10.687  -8.323
   61    HE2  LYS   7           HE2      LYS   7  54.510   8.159  -8.153
   62    HE3  LYS   7           HE1      LYS   7  53.266   8.453  -9.390
   63    HZ1  LYS   7           HZ1      LYS   7  55.415  10.428  -8.920
   64    HZ2  LYS   7           HZ2      LYS   7  54.476  10.175 -10.314
   65    HZ3  LYS   7           HZ3      LYS   7  55.698   9.071  -9.897
   66    H    GLY   8           HN       GLY   8  55.591  11.779  -2.662
   67    HA2  GLY   8           HA1      GLY   8  55.154  11.541  -0.489
   68    HA3  GLY   8           HA2      GLY   8  54.572  13.242  -0.665
   69    H    ALA   9           HN       ALA   9  53.640   9.829  -0.810
   70    HA   ALA   9           HA       ALA   9  51.678   8.745  -0.291
   71    HB1  ALA   9           HB1      ALA   9  51.978  10.161   1.825
   72    HB2  ALA   9           HB2      ALA   9  50.329   9.590   1.475
   73    HB3  ALA   9           HB3      ALA   9  50.781  11.275   1.124
   74    H    ILE  10           HN       ILE  10  51.486   9.124  -2.697
   75    HA   ILE  10           HA       ILE  10  50.100   9.508  -4.495
   76    HB   ILE  10           HB       ILE  10  48.144   9.853  -2.210
   77   HG12  ILE  10          HG12      ILE  10  47.673   8.310  -4.782
   78   HG13  ILE  10          HG11      ILE  10  48.851   7.688  -3.607
   79   HG21  ILE  10          HG21      ILE  10  47.326  11.705  -3.435
   80   HG22  ILE  10          HG22      ILE  10  46.323  10.350  -3.996
   81   HG23  ILE  10          HG23      ILE  10  47.664  10.933  -5.005
   82   HD11  ILE  10           HD1      ILE  10  45.893   8.253  -3.099
   83   HD12  ILE  10           HD2      ILE  10  47.058   7.815  -1.828
   84   HD13  ILE  10           HD3      ILE  10  46.696   6.669  -3.137
   85    H    HIS  11           HN       HIS  11  49.111  12.138  -2.255
   86    HA   HIS  11           HA       HIS  11  50.619  14.114  -3.840
   87    HB2  HIS  11           HB2      HIS  11  48.525  13.886  -5.156
   88    HB3  HIS  11           HB1      HIS  11  47.574  14.223  -3.690
   89    HD1  HIS  11           HD1      HIS  11  46.768  16.579  -3.727
   90    HD2  HIS  11           HD2      HIS  11  50.625  16.217  -5.364
   91    HE1  HIS  11           HE1      HIS  11  47.566  18.931  -4.325
   92    H    GLY  12           HN       GLY  12  49.624  12.800  -1.083
   93    HA2  GLY  12           HA1      GLY  12  50.372  13.794   1.019
   94    HA3  GLY  12           HA2      GLY  12  49.859  15.389   0.438
   95    H    GLY  13           HN       GLY  13  48.042  12.348   0.130
   96    HA2  GLY  13           HA1      GLY  13  45.870  11.876   0.806
   97    HA3  GLY  13           HA2      GLY  13  46.436  12.431   2.395
   98    H    ARG  14           HN       ARG  14  45.406  13.780  -0.766
   99    HA   ARG  14           HA       ARG  14  43.370  15.418   0.590
  100    HB2  ARG  14           HB2      ARG  14  45.335  16.838   0.926
  101    HB3  ARG  14           HB1      ARG  14  45.770  16.697  -0.790
  102    HG2  ARG  14           HG2      ARG  14  44.628  18.861  -0.249
  103    HG3  ARG  14           HG1      ARG  14  43.738  17.906  -1.451
  104    HD2  ARG  14           HD2      ARG  14  42.051  17.304   0.099
  105    HD3  ARG  14           HD1      ARG  14  43.084  17.656   1.506
  106    HE   ARG  14           HE       ARG  14  41.428  19.573   0.090
  107   HH11  ARG  14          HH11      ARG  14  44.170  19.017   2.090
  108   HH12  ARG  14          HH12      ARG  14  44.387  20.688   2.490
  109   HH21  ARG  14          HH21      ARG  14  41.792  21.784   0.468
  110   HH22  ARG  14          HH22      ARG  14  43.040  22.255   1.571
  111    H    PHE  15           HN       PHE  15  44.902  13.979  -2.142
  112    HA   PHE  15           HA       PHE  15  43.671  15.189  -4.341
  113    HB2  PHE  15           HB2      PHE  15  45.291  13.284  -4.430
  114    HB3  PHE  15           HB1      PHE  15  43.982  12.191  -3.919
  115    HD1  PHE  15           HD1      PHE  15  44.678  14.880  -6.476
  116    HD2  PHE  15           HD2      PHE  15  42.692  11.145  -5.607
  117    HE1  PHE  15           HE1      PHE  15  43.902  14.740  -8.839
  118    HE2  PHE  15           HE2      PHE  15  41.919  11.007  -7.970
  119    HZ   PHE  15           HZ       PHE  15  42.574  12.775  -9.600
  120    H    ILE  16           HN       ILE  16  42.191  13.592  -1.693
  121    HA   ILE  16           HA       ILE  16  39.529  13.932  -2.978
  122    HB   ILE  16           HB       ILE  16  40.098  11.319  -1.515
  123   HG12  ILE  16          HG12      ILE  16  40.447  11.895  -4.494
  124   HG13  ILE  16          HG11      ILE  16  41.722  11.397  -3.358
  125   HG21  ILE  16          HG21      ILE  16  38.111  12.003  -3.724
  126   HG22  ILE  16          HG22      ILE  16  37.744  12.202  -1.994
  127   HG23  ILE  16          HG23      ILE  16  38.097  10.586  -2.649
  128   HD11  ILE  16           HD1      ILE  16  39.398   9.771  -4.435
  129   HD12  ILE  16           HD2      ILE  16  40.194   9.314  -2.908
  130   HD13  ILE  16           HD3      ILE  16  41.130   9.370  -4.421
  131    H    HIS  17           HN       HIS  17  40.681  12.212  -0.013
  132    HA   HIS  17           HA       HIS  17  40.143  14.438   1.735
  133    HB2  HIS  17           HB2      HIS  17  37.780  13.930   1.085
  134    HB3  HIS  17           HB1      HIS  17  37.997  12.273   1.695
  135    HD1  HIS  17           HD1      HIS  17  40.014  14.009   3.950
  136    HD2  HIS  17           HD2      HIS  17  35.842  13.893   3.417
  137    HE1  HIS  17           HE1      HIS  17  38.945  14.760   6.146
  138    H    GLY  18           HN       GLY  18  42.341  13.292   1.902
  139    HA2  GLY  18           HA1      GLY  18  43.747  12.000   3.226
  140    HA3  GLY  18           HA2      GLY  18  42.405  11.830   4.357
  141    H    MET  19           HN       MET  19  43.051  10.836   1.029
  142    HA   MET  19           HA       MET  19  42.544   8.807   0.123
  143    HB2  MET  19           HB2      MET  19  44.017   7.885   2.520
  144    HB3  MET  19           HB1      MET  19  43.752   6.897   1.062
  145    HG2  MET  19           HG2      MET  19  44.891   8.741  -0.272
  146    HG3  MET  19           HG1      MET  19  45.332   9.493   1.279
  147    HE1  MET  19           HE1      MET  19  47.486   9.452   0.052
  148    HE2  MET  19           HE2      MET  19  48.723   8.215   0.380
  149    HE3  MET  19           HE3      MET  19  48.008   9.136   1.724
  150    H    ILE  20           HN       ILE  20  40.600   9.782   2.224
  151    HA   ILE  20           HA       ILE  20  38.687   8.899   3.207
  152    HB   ILE  20           HB       ILE  20  39.096   6.892   0.938
  153   HG12  ILE  20          HG12      ILE  20  36.977   7.855   0.148
  154   HG13  ILE  20          HG11      ILE  20  36.837   8.819   1.637
  155   HG21  ILE  20          HG21      ILE  20  37.067   6.750   3.206
  156   HG22  ILE  20          HG22      ILE  20  38.177   5.473   2.650
  157   HG23  ILE  20          HG23      ILE  20  36.803   5.962   1.632
  158   HD11  ILE  20           HD1      ILE  20  39.204   9.035  -0.265
  159   HD12  ILE  20           HD2      ILE  20  38.776  10.129   1.072
  160   HD13  ILE  20           HD3      ILE  20  37.760  10.066  -0.383
  161    H    GLN  21           HN       GLN  21  41.751   7.571   3.100
  162    HA   GLN  21           HA       GLN  21  41.141   5.543   5.287
  163    HB2  GLN  21           HB2      GLN  21  42.350   4.801   3.158
  164    HB3  GLN  21           HB1      GLN  21  43.703   5.836   3.671
  165    HG2  GLN  21           HG2      GLN  21  44.196   3.633   4.497
  166    HG3  GLN  21           HG1      GLN  21  43.655   4.581   5.903
  167   HE21  GLN  21          HE21      GLN  21  42.161   3.507   7.186
  168   HE22  GLN  21          HE22      GLN  21  41.016   2.301   6.589
  169    H    ASN  22           HN       ASN  22  43.198   8.325   4.306
  170    HA   ASN  22           HA       ASN  22  44.419   8.438   6.997
  171    HB2  ASN  22           HB2      ASN  22  45.840   9.052   5.138
  172    HB3  ASN  22           HB1      ASN  22  44.608  10.150   4.475
  173   HD21  ASN  22          HD21      ASN  22  46.259  11.917   4.626
  174   HD22  ASN  22          HD22      ASN  22  46.574  12.662   6.196
  175    H    HIS  23           HN       HIS  23  41.862   9.806   4.989
  176    HA   HIS  23           HA       HIS  23  40.242  11.423   5.491
  177    HB2  HIS  23           HB2      HIS  23  39.549   9.541   6.965
  178    HB3  HIS  23           HB1      HIS  23  40.511  10.249   8.285
  179    HD1  HIS  23           HD1      HIS  23  37.575  11.116   5.975
  180    HD2  HIS  23           HD2      HIS  23  39.161  12.211   9.713
  181    HE1  HIS  23           HE1      HIS  23  35.938  12.759   7.045
  182    H    HIS  24           HN       HIS  24  41.272  13.375   5.173
  183    HA   HIS  24           HA       HIS  24  43.132  14.568   6.959
  184    HB2  HIS  24           HB2      HIS  24  42.672  15.342   4.634
  185    HB3  HIS  24           HB1      HIS  24  41.103  15.979   5.181
  186    HD1  HIS  24           HD1      HIS  24  41.259  17.793   7.236
  187    HD2  HIS  24           HD2      HIS  24  44.731  17.160   4.950
  188    HE1  HIS  24           HE1      HIS  24  42.840  19.748   7.694
  Start of MODEL   88
    1    H1   PHE   1           HT1      PHE   1  49.230   3.688 -10.453
    2    H2   PHE   1           HT2      PHE   1  48.816   2.375 -11.448
    3    H3   PHE   1           HT3      PHE   1  50.110   3.392 -11.871
    4    HA   PHE   1           HA       PHE   1  50.029   1.771  -9.413
    5    HB2  PHE   1           HB2      PHE   1  49.951   0.315 -11.412
    6    HB3  PHE   1           HB1      PHE   1  51.370   1.159 -12.079
    7    HD1  PHE   1           HD1      PHE   1  53.581   0.566 -11.384
    8    HD2  PHE   1           HD2      PHE   1  50.173  -0.866  -9.155
    9    HE1  PHE   1           HE1      PHE   1  55.074  -0.923 -10.057
   10    HE2  PHE   1           HE2      PHE   1  51.667  -2.355  -7.829
   11    HZ   PHE   1           HZ       PHE   1  54.126  -2.327  -8.230
   12    H    LEU   2           HN       LEU   2  50.859   3.695  -8.385
   13    HA   LEU   2           HA       LEU   2  53.178   5.087  -9.269
   14    HB2  LEU   2           HB2      LEU   2  51.585   5.758  -7.409
   15    HB3  LEU   2           HB1      LEU   2  52.376   4.538  -6.388
   16    HG   LEU   2           HG       LEU   2  54.614   5.782  -7.053
   17   HD11  LEU   2          HD11      LEU   2  52.498   7.895  -7.666
   18   HD12  LEU   2          HD12      LEU   2  53.754   7.279  -8.767
   19   HD13  LEU   2          HD13      LEU   2  54.210   8.260  -7.358
   20   HD21  LEU   2          HD21      LEU   2  52.563   7.084  -5.208
   21   HD22  LEU   2          HD22      LEU   2  54.323   7.338  -5.150
   22   HD23  LEU   2          HD23      LEU   2  53.642   5.738  -4.774
   23    H    GLY   3           HN       GLY   3  52.794   2.172  -7.247
   24    HA2  GLY   3           HA1      GLY   3  54.331   0.430  -6.975
   25    HA3  GLY   3           HA2      GLY   3  55.513   1.318  -7.957
   26    H    ALA   4           HN       ALA   4  56.055   3.581  -6.747
   27    HA   ALA   4           HA       ALA   4  57.453   2.712  -4.326
   28    HB1  ALA   4           HB1      ALA   4  58.486   4.264  -5.927
   29    HB2  ALA   4           HB2      ALA   4  58.330   5.016  -4.321
   30    HB3  ALA   4           HB3      ALA   4  57.194   5.449  -5.623
   31    H    LEU   5           HN       LEU   5  57.411   4.982  -2.739
   32    HA   LEU   5           HA       LEU   5  54.534   5.279  -1.912
   33    HB2  LEU   5           HB2      LEU   5  56.863   4.610  -0.055
   34    HB3  LEU   5           HB1      LEU   5  55.202   4.994   0.445
   35    HG   LEU   5           HG       LEU   5  54.634   2.974  -1.301
   36   HD11  LEU   5          HD11      LEU   5  57.126   2.683  -1.785
   37   HD12  LEU   5          HD12      LEU   5  56.286   1.214  -1.238
   38   HD13  LEU   5          HD13      LEU   5  57.309   2.129  -0.106
   39   HD21  LEU   5          HD21      LEU   5  55.555   2.688   1.593
   40   HD22  LEU   5          HD22      LEU   5  54.701   1.414   0.689
   41   HD23  LEU   5          HD23      LEU   5  53.896   2.967   1.014
   42    H    ILE   6           HN       ILE   6  55.558   7.222  -3.356
   43    HA   ILE   6           HA       ILE   6  56.110   9.377  -1.301
   44    HB   ILE   6           HB       ILE   6  57.548   9.498  -3.997
   45   HG12  ILE   6          HG12      ILE   6  58.515   7.949  -1.548
   46   HG13  ILE   6          HG11      ILE   6  58.162   7.276  -3.157
   47   HG21  ILE   6          HG21      ILE   6  58.982  11.007  -2.857
   48   HG22  ILE   6          HG22      ILE   6  58.533  10.377  -1.254
   49   HG23  ILE   6          HG23      ILE   6  57.381  11.371  -2.175
   50   HD11  ILE   6           HD1      ILE   6  60.402   9.175  -2.370
   51   HD12  ILE   6           HD2      ILE   6  59.927   8.920  -4.066
   52   HD13  ILE   6           HD3      ILE   6  60.535   7.558  -3.097
   53    H    LYS   7           HN       LYS   7  56.573  11.174  -3.769
   54    HA   LYS   7           HA       LYS   7  55.123  12.772  -4.650
   55    HB2  LYS   7           HB2      LYS   7  54.425  10.671  -6.087
   56    HB3  LYS   7           HB1      LYS   7  53.008  10.600  -5.012
   57    HG2  LYS   7           HG2      LYS   7  52.479  12.971  -5.593
   58    HG3  LYS   7           HG1      LYS   7  53.852  12.989  -6.718
   59    HD2  LYS   7           HD2      LYS   7  51.642  10.903  -6.935
   60    HD3  LYS   7           HD1      LYS   7  51.488  12.500  -7.699
   61    HE2  LYS   7           HE2      LYS   7  53.740  12.042  -8.837
   62    HE3  LYS   7           HE1      LYS   7  53.592  10.368  -8.256
   63    HZ1  LYS   7           HZ1      LYS   7  51.404  11.674  -9.760
   64    HZ2  LYS   7           HZ2      LYS   7  51.699  10.015  -9.529
   65    HZ3  LYS   7           HZ3      LYS   7  52.696  10.922 -10.564
   66    H    GLY   8           HN       GLY   8  55.459  11.736  -2.173
   67    HA2  GLY   8           HA1      GLY   8  54.745  11.428  -0.095
   68    HA3  GLY   8           HA2      GLY   8  54.199  13.141  -0.281
   69    H    ALA   9           HN       ALA   9  53.314   9.757  -0.320
   70    HA   ALA   9           HA       ALA   9  51.293   8.666  -0.159
   71    HB1  ALA   9           HB1      ALA   9  50.419  11.201   1.267
   72    HB2  ALA   9           HB2      ALA   9  51.366   9.896   2.021
   73    HB3  ALA   9           HB3      ALA   9  49.715   9.576   1.437
   74    H    ILE  10           HN       ILE  10  51.281   9.096  -2.568
   75    HA   ILE  10           HA       ILE  10  50.025   9.517  -4.454
   76    HB   ILE  10           HB       ILE  10  47.922   9.772  -2.295
   77   HG12  ILE  10          HG12      ILE  10  46.792   8.089  -3.711
   78   HG13  ILE  10          HG11      ILE  10  48.059   8.278  -4.946
   79   HG21  ILE  10          HG21      ILE  10  47.583  10.947  -5.070
   80   HG22  ILE  10          HG22      ILE  10  47.187  11.678  -3.492
   81   HG23  ILE  10          HG23      ILE  10  46.202  10.339  -4.125
   82   HD11  ILE  10           HD1      ILE  10  48.701   7.519  -2.070
   83   HD12  ILE  10           HD2      ILE  10  49.740   7.368  -3.507
   84   HD13  ILE  10           HD3      ILE  10  48.329   6.302  -3.314
   85    H    HIS  11           HN       HIS  11  48.899  12.088  -2.213
   86    HA   HIS  11           HA       HIS  11  50.424  14.117  -3.735
   87    HB2  HIS  11           HB2      HIS  11  48.266  13.824  -5.004
   88    HB3  HIS  11           HB1      HIS  11  47.387  14.249  -3.514
   89    HD1  HIS  11           HD1      HIS  11  47.320  16.704  -2.796
   90    HD2  HIS  11           HD2      HIS  11  49.741  16.009  -6.165
   91    HE1  HIS  11           HE1      HIS  11  47.976  18.984  -3.748
   92    H    GLY  12           HN       GLY  12  49.347  12.728  -1.001
   93    HA2  GLY  12           HA1      GLY  12  49.307  13.412   1.215
   94    HA3  GLY  12           HA2      GLY  12  50.226  14.843   0.708
   95    H    GLY  13           HN       GLY  13  47.223  14.271  -0.893
   96    HA2  GLY  13           HA1      GLY  13  45.599  15.813   1.002
   97    HA3  GLY  13           HA2      GLY  13  46.061  16.714  -0.456
   98    H    ARG  14           HN       ARG  14  46.038  14.405  -2.239
   99    HA   ARG  14           HA       ARG  14  43.123  14.356  -2.709
  100    HB2  ARG  14           HB2      ARG  14  44.661  14.641  -4.609
  101    HB3  ARG  14           HB1      ARG  14  45.452  13.100  -4.223
  102    HG2  ARG  14           HG2      ARG  14  43.821  12.859  -6.082
  103    HG3  ARG  14           HG1      ARG  14  43.358  11.875  -4.680
  104    HD2  ARG  14           HD2      ARG  14  41.562  13.297  -4.117
  105    HD3  ARG  14           HD1      ARG  14  42.258  14.688  -4.985
  106    HE   ARG  14           HE       ARG  14  41.769  12.798  -6.975
  107   HH11  ARG  14          HH11      ARG  14  39.589  12.405  -4.676
  108   HH12  ARG  14          HH12      ARG  14  38.258  13.207  -5.442
  109   HH21  ARG  14          HH21      ARG  14  40.215  14.680  -7.897
  110   HH22  ARG  14          HH22      ARG  14  38.613  14.496  -7.265
  111    H    PHE  15           HN       PHE  15  45.628  12.368  -1.342
  112    HA   PHE  15           HA       PHE  15  44.677   9.768  -1.611
  113    HB2  PHE  15           HB2      PHE  15  46.716  10.395  -0.355
  114    HB3  PHE  15           HB1      PHE  15  45.701  11.044   0.956
  115    HD1  PHE  15           HD1      PHE  15  44.550   9.577   2.504
  116    HD2  PHE  15           HD2      PHE  15  46.701   7.952  -0.867
  117    HE1  PHE  15           HE1      PHE  15  44.352   7.292   3.478
  118    HE2  PHE  15           HE2      PHE  15  46.502   5.667   0.108
  119    HZ   PHE  15           HZ       PHE  15  45.388   5.348   2.314
  120    H    ILE  16           HN       ILE  16  43.709  12.056   1.003
  121    HA   ILE  16           HA       ILE  16  41.659  10.298   1.999
  122    HB   ILE  16           HB       ILE  16  41.730  13.331   2.317
  123   HG12  ILE  16          HG12      ILE  16  43.144  11.175   3.956
  124   HG13  ILE  16          HG11      ILE  16  43.951  12.292   2.834
  125   HG21  ILE  16          HG21      ILE  16  39.696  11.932   3.068
  126   HG22  ILE  16          HG22      ILE  16  40.472  12.919   4.321
  127   HG23  ILE  16          HG23      ILE  16  40.785  11.170   4.247
  128   HD11  ILE  16           HD1      ILE  16  44.215  13.301   4.969
  129   HD12  ILE  16           HD2      ILE  16  42.541  12.936   5.446
  130   HD13  ILE  16           HD3      ILE  16  42.868  14.191   4.226
  131    H    HIS  17           HN       HIS  17  40.824  13.598   0.823
  132    HA   HIS  17           HA       HIS  17  39.198  12.496  -1.368
  133    HB2  HIS  17           HB2      HIS  17  37.817  11.894   0.622
  134    HB3  HIS  17           HB1      HIS  17  37.725  13.618   1.043
  135    HD1  HIS  17           HD1      HIS  17  35.415  14.365   0.428
  136    HD2  HIS  17           HD2      HIS  17  37.104  11.869  -2.502
  137    HE1  HIS  17           HE1      HIS  17  33.798  14.310  -1.550
  138    H    GLY  18           HN       GLY  18  41.226  14.587  -0.706
  139    HA2  GLY  18           HA1      GLY  18  41.037  16.516  -2.472
  140    HA3  GLY  18           HA2      GLY  18  39.747  17.094  -1.386
  141    H    MET  19           HN       MET  19  40.542  16.567   1.002
  142    HA   MET  19           HA       MET  19  43.078  16.839   1.871
  143    HB2  MET  19           HB2      MET  19  42.395  19.352   0.592
  144    HB3  MET  19           HB1      MET  19  42.587  19.637   2.332
  145    HG2  MET  19           HG2      MET  19  44.813  18.460   2.213
  146    HG3  MET  19           HG1      MET  19  44.616  18.362   0.448
  147    HE1  MET  19           HE1      MET  19  46.565  20.029  -0.537
  148    HE2  MET  19           HE2      MET  19  46.981  19.290   1.027
  149    HE3  MET  19           HE3      MET  19  47.317  21.014   0.740
  150    H    ILE  20           HN       ILE  20  42.018  15.481   3.261
  151    HA   ILE  20           HA       ILE  20  40.918  15.033   5.269
  152    HB   ILE  20           HB       ILE  20  40.811  18.021   5.886
  153   HG12  ILE  20          HG12      ILE  20  43.194  16.130   6.191
  154   HG13  ILE  20          HG11      ILE  20  43.124  17.578   5.165
  155   HG21  ILE  20          HG21      ILE  20  40.787  17.319   8.164
  156   HG22  ILE  20          HG22      ILE  20  41.370  15.686   7.761
  157   HG23  ILE  20          HG23      ILE  20  39.713  16.167   7.345
  158   HD11  ILE  20           HD1      ILE  20  43.151  17.419   8.195
  159   HD12  ILE  20           HD2      ILE  20  42.596  18.881   7.344
  160   HD13  ILE  20           HD3      ILE  20  44.262  18.298   7.122
  161    H    GLN  21           HN       GLN  21  39.960  16.053   2.642
  162    HA   GLN  21           HA       GLN  21  37.762  15.861   1.727
  163    HB2  GLN  21           HB2      GLN  21  36.859  15.327   4.151
  164    HB3  GLN  21           HB1      GLN  21  36.519  17.073   4.231
  165    HG2  GLN  21           HG2      GLN  21  35.225  16.868   2.083
  166    HG3  GLN  21           HG1      GLN  21  35.468  15.105   2.151
  167   HE21  GLN  21          HE21      GLN  21  34.236  17.831   4.224
  168   HE22  GLN  21          HE22      GLN  21  32.971  16.856   4.980
  169    H    ASN  22           HN       ASN  22  39.879  17.738   1.921
  170    HA   ASN  22           HA       ASN  22  40.394  19.946   1.528
  171    HB2  ASN  22           HB2      ASN  22  39.528  19.334  -0.619
  172    HB3  ASN  22           HB1      ASN  22  37.850  19.646  -0.090
  173   HD21  ASN  22          HD21      ASN  22  41.020  21.252  -0.727
  174   HD22  ASN  22          HD22      ASN  22  40.325  22.858  -0.975
  175    H    HIS  23           HN       HIS  23  39.495  19.645   3.951
  176    HA   HIS  23           HA       HIS  23  37.190  21.129   4.722
  177    HB2  HIS  23           HB2      HIS  23  38.508  19.701   6.255
  178    HB3  HIS  23           HB1      HIS  23  39.843  20.876   6.196
  179    HD1  HIS  23           HD1      HIS  23  36.044  21.042   6.851
  180    HD2  HIS  23           HD2      HIS  23  39.648  22.688   8.259
  181    HE1  HIS  23           HE1      HIS  23  35.467  22.571   8.815
  182    H    HIS  24           HN       HIS  24  40.475  22.380   5.371
  183    HA   HIS  24           HA       HIS  24  39.607  25.104   5.408
  184    HB2  HIS  24           HB2      HIS  24  41.685  24.279   6.487
  185    HB3  HIS  24           HB1      HIS  24  42.395  24.002   4.879
  186    HD1  HIS  24           HD1      HIS  24  42.377  26.261   3.260
  187    HD2  HIS  24           HD2      HIS  24  42.065  26.861   7.411
  188    HE1  HIS  24           HE1      HIS  24  43.028  28.688   3.729
  Start of MODEL   89
    1    H1   PHE   1           HT1      PHE   1  58.279   2.401 -12.241
    2    H2   PHE   1           HT2      PHE   1  57.560   2.691 -10.729
    3    H3   PHE   1           HT3      PHE   1  59.252   2.612 -10.870
    4    HA   PHE   1           HA       PHE   1  59.267   4.565 -12.242
    5    HB2  PHE   1           HB2      PHE   1  56.274   4.533 -11.677
    6    HB3  PHE   1           HB1      PHE   1  57.161   5.874 -12.441
    7    HD1  PHE   1           HD1      PHE   1  58.538   5.346 -14.573
    8    HD2  PHE   1           HD2      PHE   1  55.494   2.717 -13.005
    9    HE1  PHE   1           HE1      PHE   1  58.367   4.221 -16.789
   10    HE2  PHE   1           HE2      PHE   1  55.323   1.594 -15.223
   11    HZ   PHE   1           HZ       PHE   1  56.777   2.330 -17.107
   12    H    LEU   2           HN       LEU   2  56.656   4.698  -9.788
   13    HA   LEU   2           HA       LEU   2  57.894   6.892  -8.391
   14    HB2  LEU   2           HB2      LEU   2  55.895   4.941  -7.197
   15    HB3  LEU   2           HB1      LEU   2  56.126   6.663  -6.809
   16    HG   LEU   2           HG       LEU   2  55.070   5.512  -9.431
   17   HD11  LEU   2          HD11      LEU   2  52.976   6.552  -8.788
   18   HD12  LEU   2          HD12      LEU   2  53.736   7.326  -7.376
   19   HD13  LEU   2          HD13      LEU   2  53.527   5.558  -7.419
   20   HD21  LEU   2          HD21      LEU   2  56.323   7.452 -10.047
   21   HD22  LEU   2          HD22      LEU   2  55.833   8.337  -8.581
   22   HD23  LEU   2          HD23      LEU   2  54.652   8.038  -9.878
   23    H    GLY   3           HN       GLY   3  58.285   3.430  -8.259
   24    HA2  GLY   3           HA1      GLY   3  59.918   2.213  -7.133
   25    HA3  GLY   3           HA2      GLY   3  60.539   3.721  -6.433
   26    H    ALA   4           HN       ALA   4  58.127   4.624  -5.219
   27    HA   ALA   4           HA       ALA   4  57.089   2.528  -3.483
   28    HB1  ALA   4           HB1      ALA   4  58.060   3.448  -1.381
   29    HB2  ALA   4           HB2      ALA   4  59.123   4.486  -2.362
   30    HB3  ALA   4           HB3      ALA   4  59.279   2.715  -2.449
   31    H    LEU   5           HN       LEU   5  56.096   3.792  -1.401
   32    HA   LEU   5           HA       LEU   5  54.155   5.608  -2.606
   33    HB2  LEU   5           HB2      LEU   5  54.525   5.115   0.366
   34    HB3  LEU   5           HB1      LEU   5  53.033   5.512  -0.519
   35    HG   LEU   5           HG       LEU   5  54.620   2.914  -0.704
   36   HD11  LEU   5          HD11      LEU   5  53.245   3.177   1.344
   37   HD12  LEU   5          HD12      LEU   5  52.566   1.932   0.268
   38   HD13  LEU   5          HD13      LEU   5  51.824   3.548   0.342
   39   HD21  LEU   5          HD21      LEU   5  52.220   3.975  -2.254
   40   HD22  LEU   5          HD22      LEU   5  52.560   2.234  -2.114
   41   HD23  LEU   5          HD23      LEU   5  53.741   3.308  -2.896
   42    H    ILE   6           HN       ILE   6  54.876   7.561  -3.213
   43    HA   ILE   6           HA       ILE   6  55.795   9.397  -1.032
   44    HB   ILE   6           HB       ILE   6  57.715  10.232  -2.373
   45   HG12  ILE   6          HG12      ILE   6  56.998   7.938  -4.262
   46   HG13  ILE   6          HG11      ILE   6  56.906   9.675  -4.632
   47   HG21  ILE   6          HG21      ILE   6  57.933   8.286  -0.714
   48   HG22  ILE   6          HG22      ILE   6  59.245   8.450  -1.904
   49   HG23  ILE   6          HG23      ILE   6  57.986   7.211  -2.132
   50   HD11  ILE   6           HD1      ILE   6  59.373   7.957  -4.211
   51   HD12  ILE   6           HD2      ILE   6  59.447   9.729  -4.040
   52   HD13  ILE   6           HD3      ILE   6  58.967   9.001  -5.591
   53    H    LYS   7           HN       LYS   7  56.640  11.379  -3.157
   54    HA   LYS   7           HA       LYS   7  55.459  13.225  -3.958
   55    HB2  LYS   7           HB2      LYS   7  53.603  11.005  -4.960
   56    HB3  LYS   7           HB1      LYS   7  53.301  12.728  -5.284
   57    HG2  LYS   7           HG2      LYS   7  55.280  12.953  -6.588
   58    HG3  LYS   7           HG1      LYS   7  55.966  11.431  -5.972
   59    HD2  LYS   7           HD2      LYS   7  55.090  11.201  -8.300
   60    HD3  LYS   7           HD1      LYS   7  54.241  10.139  -7.151
   61    HE2  LYS   7           HE2      LYS   7  52.322  11.561  -7.091
   62    HE3  LYS   7           HE1      LYS   7  53.194  12.905  -7.869
   63    HZ1  LYS   7           HZ1      LYS   7  51.680  11.618  -9.360
   64    HZ2  LYS   7           HZ2      LYS   7  52.710  10.279  -9.181
   65    HZ3  LYS   7           HZ3      LYS   7  53.286  11.707  -9.899
   66    H    GLY   8           HN       GLY   8  55.407  11.851  -1.628
   67    HA2  GLY   8           HA1      GLY   8  54.433  11.368   0.303
   68    HA3  GLY   8           HA2      GLY   8  54.040  13.131   0.289
   69    H    ALA   9           HN       ALA   9  52.925   9.884  -0.504
   70    HA   ALA   9           HA       ALA   9  50.824   8.970  -0.699
   71    HB1  ALA   9           HB1      ALA   9  50.656   9.802   1.636
   72    HB2  ALA   9           HB2      ALA   9  49.088   9.826   0.793
   73    HB3  ALA   9           HB3      ALA   9  49.999  11.337   1.021
   74    H    ILE  10           HN       ILE  10  51.221   9.803  -2.985
   75    HA   ILE  10           HA       ILE  10  50.305  10.627  -4.923
   76    HB   ILE  10           HB       ILE  10  47.911  10.603  -3.092
   77   HG12  ILE  10          HG12      ILE  10  48.241   9.734  -5.996
   78   HG13  ILE  10          HG11      ILE  10  48.713   8.723  -4.614
   79   HG21  ILE  10          HG21      ILE  10  47.437  12.765  -3.971
   80   HG22  ILE  10          HG22      ILE  10  46.496  11.645  -4.975
   81   HG23  ILE  10          HG23      ILE  10  48.018  12.324  -5.595
   82   HD11  ILE  10           HD1      ILE  10  46.545   7.925  -4.931
   83   HD12  ILE  10           HD2      ILE  10  45.953   9.465  -5.588
   84   HD13  ILE  10           HD3      ILE  10  46.171   9.271  -3.833
   85    H    HIS  11           HN       HIS  11  48.965  12.868  -2.439
   86    HA   HIS  11           HA       HIS  11  50.787  15.002  -3.402
   87    HB2  HIS  11           HB2      HIS  11  47.749  15.137  -3.610
   88    HB3  HIS  11           HB1      HIS  11  48.806  16.569  -3.657
   89    HD1  HIS  11           HD1      HIS  11  51.099  15.752  -5.411
   90    HD2  HIS  11           HD2      HIS  11  47.124  14.674  -6.266
   91    HE1  HIS  11           HE1      HIS  11  50.978  15.206  -7.904
   92    H    GLY  12           HN       GLY  12  49.278  13.259  -1.081
   93    HA2  GLY  12           HA1      GLY  12  50.118  14.011   1.229
   94    HA3  GLY  12           HA2      GLY  12  49.236  15.521   0.913
   95    H    GLY  13           HN       GLY  13  47.915  12.562  -0.337
   96    HA2  GLY  13           HA1      GLY  13  45.901  11.524   0.149
   97    HA3  GLY  13           HA2      GLY  13  46.458  11.572   1.835
   98    H    ARG  14           HN       ARG  14  45.182  13.854  -0.630
   99    HA   ARG  14           HA       ARG  14  42.926  14.535   1.119
  100    HB2  ARG  14           HB2      ARG  14  45.167  15.885   1.775
  101    HB3  ARG  14           HB1      ARG  14  44.658  16.913   0.421
  102    HG2  ARG  14           HG2      ARG  14  43.013  16.204   2.896
  103    HG3  ARG  14           HG1      ARG  14  43.724  17.787   2.509
  104    HD2  ARG  14           HD2      ARG  14  42.304  17.613   0.299
  105    HD3  ARG  14           HD1      ARG  14  41.380  16.383   1.200
  106    HE   ARG  14           HE       ARG  14  41.765  18.886   2.681
  107   HH11  ARG  14          HH11      ARG  14  40.012  17.479   0.085
  108   HH12  ARG  14          HH12      ARG  14  38.506  18.219   0.519
  109   HH21  ARG  14          HH21      ARG  14  39.758  19.700   3.393
  110   HH22  ARG  14          HH22      ARG  14  38.362  19.476   2.391
  111    H    PHE  15           HN       PHE  15  44.913  15.214  -1.754
  112    HA   PHE  15           HA       PHE  15  43.105  16.799  -3.211
  113    HB2  PHE  15           HB2      PHE  15  45.483  16.076  -3.842
  114    HB3  PHE  15           HB1      PHE  15  44.763  14.564  -4.441
  115    HD1  PHE  15           HD1      PHE  15  44.276  18.301  -4.668
  116    HD2  PHE  15           HD2      PHE  15  44.035  14.495  -6.695
  117    HE1  PHE  15           HE1      PHE  15  43.653  19.464  -6.781
  118    HE2  PHE  15           HE2      PHE  15  43.411  15.661  -8.806
  119    HZ   PHE  15           HZ       PHE  15  43.234  18.146  -8.852
  120    H    ILE  16           HN       ILE  16  43.094  13.297  -2.621
  121    HA   ILE  16           HA       ILE  16  40.934  12.821  -4.552
  122    HB   ILE  16           HB       ILE  16  41.819  10.981  -2.293
  123   HG12  ILE  16          HG12      ILE  16  43.864  11.411  -3.416
  124   HG13  ILE  16          HG11      ILE  16  43.264   9.926  -4.177
  125   HG21  ILE  16          HG21      ILE  16  39.755  10.295  -3.332
  126   HG22  ILE  16          HG22      ILE  16  41.039   9.234  -3.954
  127   HG23  ILE  16          HG23      ILE  16  40.407  10.557  -4.961
  128   HD11  ILE  16           HD1      ILE  16  43.187  12.761  -5.291
  129   HD12  ILE  16           HD2      ILE  16  42.258  11.426  -6.006
  130   HD13  ILE  16           HD3      ILE  16  44.031  11.347  -5.955
  131    H    HIS  17           HN       HIS  17  40.854  11.824  -1.087
  132    HA   HIS  17           HA       HIS  17  38.601  13.602  -0.514
  133    HB2  HIS  17           HB2      HIS  17  37.504  11.811  -1.891
  134    HB3  HIS  17           HB1      HIS  17  38.059  10.610  -0.701
  135    HD1  HIS  17           HD1      HIS  17  36.489  10.152   1.182
  136    HD2  HIS  17           HD2      HIS  17  35.927  13.993  -0.433
  137    HE1  HIS  17           HE1      HIS  17  34.477  11.190   2.366
  138    H    GLY  18           HN       GLY  18  41.102  13.306   0.623
  139    HA2  GLY  18           HA1      GLY  18  41.914  13.234   2.811
  140    HA3  GLY  18           HA2      GLY  18  40.366  12.608   3.354
  141    H    MET  19           HN       MET  19  43.149  11.730   1.411
  142    HA   MET  19           HA       MET  19  43.997   9.638   1.090
  143    HB2  MET  19           HB2      MET  19  44.829  10.614   3.360
  144    HB3  MET  19           HB1      MET  19  43.952   9.217   4.016
  145    HG2  MET  19           HG2      MET  19  45.311   7.759   2.406
  146    HG3  MET  19           HG1      MET  19  46.293   9.201   2.061
  147    HE1  MET  19           HE1      MET  19  47.327   6.517   3.001
  148    HE2  MET  19           HE2      MET  19  48.422   6.811   4.373
  149    HE3  MET  19           HE3      MET  19  48.512   7.842   2.924
  150    H    ILE  20           HN       ILE  20  40.972   9.680   1.424
  151    HA   ILE  20           HA       ILE  20  39.333   8.036   1.563
  152    HB   ILE  20           HB       ILE  20  41.540   5.967   1.131
  153   HG12  ILE  20          HG12      ILE  20  41.900   7.479  -0.668
  154   HG13  ILE  20          HG11      ILE  20  40.855   6.227  -1.361
  155   HG21  ILE  20          HG21      ILE  20  39.576   4.803  -0.069
  156   HG22  ILE  20          HG22      ILE  20  38.529   6.012   0.706
  157   HG23  ILE  20          HG23      ILE  20  39.495   4.905   1.701
  158   HD11  ILE  20           HD1      ILE  20  40.094   9.036  -0.471
  159   HD12  ILE  20           HD2      ILE  20  38.872   7.775  -0.753
  160   HD13  ILE  20           HD3      ILE  20  39.923   8.303  -2.082
  161    H    GLN  21           HN       GLN  21  42.011   8.467   3.477
  162    HA   GLN  21           HA       GLN  21  40.807   6.814   5.725
  163    HB2  GLN  21           HB2      GLN  21  42.845   5.713   4.735
  164    HB3  GLN  21           HB1      GLN  21  43.779   7.158   5.189
  165    HG2  GLN  21           HG2      GLN  21  43.189   6.840   7.550
  166    HG3  GLN  21           HG1      GLN  21  42.165   5.447   7.129
  167   HE21  GLN  21          HE21      GLN  21  45.230   6.253   8.277
  168   HE22  GLN  21          HE22      GLN  21  46.088   4.793   7.775
  169    H    ASN  22           HN       ASN  22  42.314   9.832   4.580
  170    HA   ASN  22           HA       ASN  22  42.641  10.790   7.379
  171    HB2  ASN  22           HB2      ASN  22  44.221  11.467   5.513
  172    HB3  ASN  22           HB1      ASN  22  42.862  12.327   4.757
  173   HD21  ASN  22          HD21      ASN  22  44.517  14.216   5.199
  174   HD22  ASN  22          HD22      ASN  22  44.341  15.019   6.762
  175    H    HIS  23           HN       HIS  23  40.590  10.860   4.560
  176    HA   HIS  23           HA       HIS  23  38.407  11.650   4.275
  177    HB2  HIS  23           HB2      HIS  23  37.982  10.173   6.233
  178    HB3  HIS  23           HB1      HIS  23  38.274  11.555   7.316
  179    HD1  HIS  23           HD1      HIS  23  36.466  13.376   7.498
  180    HD2  HIS  23           HD2      HIS  23  35.585  10.432   4.628
  181    HE1  HIS  23           HE1      HIS  23  34.025  13.688   6.810
  182    H    HIS  24           HN       HIS  24  38.948  13.239   7.433
  183    HA   HIS  24           HA       HIS  24  39.601  15.810   6.293
  184    HB2  HIS  24           HB2      HIS  24  37.185  15.603   5.588
  185    HB3  HIS  24           HB1      HIS  24  36.747  15.539   7.312
  186    HD1  HIS  24           HD1      HIS  24  39.541  17.730   5.948
  187    HD2  HIS  24           HD2      HIS  24  35.586  18.134   7.319
  188    HE1  HIS  24           HE1      HIS  24  39.094  20.226   6.261
  Start of MODEL   90
    1    H1   PHE   1           HT1      PHE   1  54.400  -0.172 -10.487
    2    H2   PHE   1           HT2      PHE   1  55.903   0.607 -10.627
    3    H3   PHE   1           HT3      PHE   1  54.943   0.351 -12.005
    4    HA   PHE   1           HA       PHE   1  54.887   2.639 -11.235
    5    HB2  PHE   1           HB2      PHE   1  52.283   1.079 -10.985
    6    HB3  PHE   1           HB1      PHE   1  52.422   2.830 -11.268
    7    HD1  PHE   1           HD1      PHE   1  52.986  -0.543 -12.721
    8    HD2  PHE   1           HD2      PHE   1  53.123   3.713 -13.428
    9    HE1  PHE   1           HE1      PHE   1  53.221  -0.957 -15.168
   10    HE2  PHE   1           HE2      PHE   1  53.357   3.299 -15.875
   11    HZ   PHE   1           HZ       PHE   1  53.442   0.964 -16.740
   12    H    LEU   2           HN       LEU   2  55.623   3.540  -9.409
   13    HA   LEU   2           HA       LEU   2  55.024   2.536  -6.776
   14    HB2  LEU   2           HB2      LEU   2  56.170   5.134  -7.851
   15    HB3  LEU   2           HB1      LEU   2  55.875   4.911  -6.111
   16    HG   LEU   2           HG       LEU   2  57.346   2.965  -6.055
   17   HD11  LEU   2          HD11      LEU   2  57.414   3.366  -9.072
   18   HD12  LEU   2          HD12      LEU   2  56.980   1.899  -8.161
   19   HD13  LEU   2          HD13      LEU   2  58.672   2.444  -8.215
   20   HD21  LEU   2          HD21      LEU   2  59.466   4.067  -6.523
   21   HD22  LEU   2          HD22      LEU   2  58.320   5.295  -5.933
   22   HD23  LEU   2          HD23      LEU   2  58.684   5.179  -7.672
   23    H    GLY   3           HN       GLY   3  54.400   5.936  -7.355
   24    HA2  GLY   3           HA1      GLY   3  52.540   7.231  -6.901
   25    HA3  GLY   3           HA2      GLY   3  51.569   5.881  -7.521
   26    H    ALA   4           HN       ALA   4  53.741   5.892  -4.700
   27    HA   ALA   4           HA       ALA   4  51.572   6.178  -2.785
   28    HB1  ALA   4           HB1      ALA   4  52.717   3.405  -3.265
   29    HB2  ALA   4           HB2      ALA   4  51.032   3.920  -3.521
   30    HB3  ALA   4           HB3      ALA   4  51.707   3.869  -1.876
   31    H    LEU   5           HN       LEU   5  54.772   4.654  -3.346
   32    HA   LEU   5           HA       LEU   5  55.694   5.206  -0.650
   33    HB2  LEU   5           HB2      LEU   5  57.471   4.772  -3.075
   34    HB3  LEU   5           HB1      LEU   5  57.786   4.345  -1.377
   35    HG   LEU   5           HG       LEU   5  55.694   3.086  -3.206
   36   HD11  LEU   5          HD11      LEU   5  57.078   1.090  -3.035
   37   HD12  LEU   5          HD12      LEU   5  58.167   1.895  -1.878
   38   HD13  LEU   5          HD13      LEU   5  58.106   2.441  -3.571
   39   HD21  LEU   5          HD21      LEU   5  56.311   2.753  -0.239
   40   HD22  LEU   5          HD22      LEU   5  55.492   1.483  -1.181
   41   HD23  LEU   5          HD23      LEU   5  54.741   3.086  -1.009
   42    H    ILE   6           HN       ILE   6  54.999   7.231  -3.202
   43    HA   ILE   6           HA       ILE   6  56.348   9.479  -1.894
   44    HB   ILE   6           HB       ILE   6  58.131   8.236  -3.421
   45   HG12  ILE   6          HG12      ILE   6  57.622  11.244  -3.582
   46   HG13  ILE   6          HG11      ILE   6  58.565  10.376  -2.357
   47   HG21  ILE   6          HG21      ILE   6  58.091   8.503  -5.728
   48   HG22  ILE   6          HG22      ILE   6  57.053   9.939  -5.675
   49   HG23  ILE   6          HG23      ILE   6  56.354   8.325  -5.403
   50   HD11  ILE   6           HD1      ILE   6  59.226  10.775  -5.296
   51   HD12  ILE   6           HD2      ILE   6  60.024   9.526  -4.311
   52   HD13  ILE   6           HD3      ILE   6  60.184  11.242  -3.873
   53    H    LYS   7           HN       LYS   7  56.289  11.053  -4.518
   54    HA   LYS   7           HA       LYS   7  54.671  12.561  -5.249
   55    HB2  LYS   7           HB2      LYS   7  52.615  10.313  -4.983
   56    HB3  LYS   7           HB1      LYS   7  52.520  11.742  -6.036
   57    HG2  LYS   7           HG2      LYS   7  54.484   9.425  -6.303
   58    HG3  LYS   7           HG1      LYS   7  53.100   9.765  -7.366
   59    HD2  LYS   7           HD2      LYS   7  54.205  12.073  -7.779
   60    HD3  LYS   7           HD1      LYS   7  55.661  11.375  -7.028
   61    HE2  LYS   7           HE2      LYS   7  55.519   9.477  -8.696
   62    HE3  LYS   7           HE1      LYS   7  54.209  10.366  -9.510
   63    HZ1  LYS   7           HZ1      LYS   7  56.029  11.120 -10.646
   64    HZ2  LYS   7           HZ2      LYS   7  57.070  11.022  -9.307
   65    HZ3  LYS   7           HZ3      LYS   7  55.950  12.294  -9.424
   66    H    GLY   8           HN       GLY   8  55.523  11.751  -2.811
   67    HA2  GLY   8           HA1      GLY   8  55.219  11.621  -0.604
   68    HA3  GLY   8           HA2      GLY   8  54.642  13.317  -0.831
   69    H    ALA   9           HN       ALA   9  53.689   9.919  -0.688
   70    HA   ALA   9           HA       ALA   9  51.754   8.882  -0.007
   71    HB1  ALA   9           HB1      ALA   9  51.016  11.505   1.331
   72    HB2  ALA   9           HB2      ALA   9  52.189  10.358   2.021
   73    HB3  ALA   9           HB3      ALA   9  50.496   9.864   1.775
   74    H    ILE  10           HN       ILE  10  51.385   9.106  -2.393
   75    HA   ILE  10           HA       ILE  10  49.880   9.404  -4.113
   76    HB   ILE  10           HB       ILE  10  48.092  10.027  -1.735
   77   HG12  ILE  10          HG12      ILE  10  47.445   8.187  -4.062
   78   HG13  ILE  10          HG11      ILE  10  48.689   7.692  -2.895
   79   HG21  ILE  10          HG21      ILE  10  47.210  11.722  -3.109
   80   HG22  ILE  10          HG22      ILE  10  46.182  10.321  -3.491
   81   HG23  ILE  10          HG23      ILE  10  47.485  10.792  -4.602
   82   HD11  ILE  10           HD1      ILE  10  47.032   8.049  -1.035
   83   HD12  ILE  10           HD2      ILE  10  46.539   6.788  -2.186
   84   HD13  ILE  10           HD3      ILE  10  45.786   8.394  -2.256
   85    H    HIS  11           HN       HIS  11  49.049  12.187  -2.019
   86    HA   HIS  11           HA       HIS  11  50.521  14.046  -3.768
   87    HB2  HIS  11           HB2      HIS  11  48.318  13.664  -4.961
   88    HB3  HIS  11           HB1      HIS  11  47.492  14.290  -3.513
   89    HD1  HIS  11           HD1      HIS  11  50.782  15.668  -4.855
   90    HD2  HIS  11           HD2      HIS  11  46.737  16.783  -4.563
   91    HE1  HIS  11           HE1      HIS  11  50.609  18.109  -5.593
   92    H    GLY  12           HN       GLY  12  49.670  12.887  -0.947
   93    HA2  GLY  12           HA1      GLY  12  50.455  14.004   1.081
   94    HA3  GLY  12           HA2      GLY  12  49.851  15.551   0.452
   95    H    GLY  13           HN       GLY  13  48.063  12.536   0.137
   96    HA2  GLY  13           HA1      GLY  13  46.057  11.858   1.068
   97    HA3  GLY  13           HA2      GLY  13  46.508  12.760   2.528
   98    H    ARG  14           HN       ARG  14  46.510  14.575  -0.385
   99    HA   ARG  14           HA       ARG  14  44.200  16.137   0.586
  100    HB2  ARG  14           HB2      ARG  14  46.171  16.432  -1.706
  101    HB3  ARG  14           HB1      ARG  14  44.753  17.495  -1.557
  102    HG2  ARG  14           HG2      ARG  14  46.565  17.110   0.852
  103    HG3  ARG  14           HG1      ARG  14  47.084  18.194  -0.457
  104    HD2  ARG  14           HD2      ARG  14  44.315  18.447   0.778
  105    HD3  ARG  14           HD1      ARG  14  45.733  19.235   1.506
  106    HE   ARG  14           HE       ARG  14  45.735  19.910  -1.243
  107   HH11  ARG  14          HH11      ARG  14  44.264  20.599   1.770
  108   HH12  ARG  14          HH12      ARG  14  43.386  21.976   1.191
  109   HH21  ARG  14          HH21      ARG  14  44.395  21.564  -2.101
  110   HH22  ARG  14          HH22      ARG  14  43.460  22.521  -1.000
  111    H    PHE  15           HN       PHE  15  44.825  13.548  -1.611
  112    HA   PHE  15           HA       PHE  15  42.936  13.907  -3.641
  113    HB2  PHE  15           HB2      PHE  15  44.467  11.950  -3.412
  114    HB3  PHE  15           HB1      PHE  15  43.432  11.324  -2.106
  115    HD1  PHE  15           HD1      PHE  15  43.646  12.053  -5.741
  116    HD2  PHE  15           HD2      PHE  15  41.219  10.406  -2.575
  117    HE1  PHE  15           HE1      PHE  15  42.133  11.029  -7.435
  118    HE2  PHE  15           HE2      PHE  15  39.706   9.381  -4.269
  119    HZ   PHE  15           HZ       PHE  15  40.124   9.753  -6.696
  120    H    ILE  16           HN       ILE  16  42.434  12.983  -0.252
  121    HA   ILE  16           HA       ILE  16  39.522  12.635  -0.670
  122    HB   ILE  16           HB       ILE  16  41.077  12.716   1.953
  123   HG12  ILE  16          HG12      ILE  16  41.811  10.914   0.214
  124   HG13  ILE  16          HG11      ILE  16  41.399  10.372   1.850
  125   HG21  ILE  16          HG21      ILE  16  39.077  11.333   2.709
  126   HG22  ILE  16          HG22      ILE  16  38.302  11.757   1.164
  127   HG23  ILE  16          HG23      ILE  16  38.732  13.035   2.324
  128   HD11  ILE  16           HD1      ILE  16  39.397  10.350  -0.453
  129   HD12  ILE  16           HD2      ILE  16  39.238   9.568   1.135
  130   HD13  ILE  16           HD3      ILE  16  40.428   8.965  -0.039
  131    H    HIS  17           HN       HIS  17  41.185  14.483   1.924
  132    HA   HIS  17           HA       HIS  17  40.289  17.062   1.002
  133    HB2  HIS  17           HB2      HIS  17  38.039  16.139   1.527
  134    HB3  HIS  17           HB1      HIS  17  38.574  15.824   3.193
  135    HD1  HIS  17           HD1      HIS  17  40.107  18.878   1.868
  136    HD2  HIS  17           HD2      HIS  17  36.432  17.908   3.665
  137    HE1  HIS  17           HE1      HIS  17  39.081  21.054   2.725
  138    H    GLY  18           HN       GLY  18  42.702  16.239   1.890
  139    HA2  GLY  18           HA1      GLY  18  44.114  17.694   3.330
  140    HA3  GLY  18           HA2      GLY  18  42.912  17.494   4.623
  141    H    MET  19           HN       MET  19  42.350  14.802   4.149
  142    HA   MET  19           HA       MET  19  43.854  12.794   3.907
  143    HB2  MET  19           HB2      MET  19  45.956  13.569   4.677
  144    HB3  MET  19           HB1      MET  19  45.274  14.145   6.198
  145    HG2  MET  19           HG2      MET  19  46.533  12.050   6.521
  146    HG3  MET  19           HG1      MET  19  44.813  11.772   6.857
  147    HE1  MET  19           HE1      MET  19  45.970   9.380   6.732
  148    HE2  MET  19           HE2      MET  19  47.444   9.717   5.793
  149    HE3  MET  19           HE3      MET  19  46.284   8.497   5.219
  150    H    ILE  20           HN       ILE  20  41.888  11.961   3.936
  151    HA   ILE  20           HA       ILE  20  40.071  10.871   4.889
  152    HB   ILE  20           HB       ILE  20  41.469  10.893   7.609
  153   HG12  ILE  20          HG12      ILE  20  42.005   9.029   5.249
  154   HG13  ILE  20          HG11      ILE  20  43.165  10.141   6.005
  155   HG21  ILE  20          HG21      ILE  20  40.178   8.933   8.031
  156   HG22  ILE  20          HG22      ILE  20  39.826   8.684   6.303
  157   HG23  ILE  20          HG23      ILE  20  39.053  10.019   7.186
  158   HD11  ILE  20           HD1      ILE  20  41.949   7.619   7.171
  159   HD12  ILE  20           HD2      ILE  20  42.700   8.858   8.207
  160   HD13  ILE  20           HD3      ILE  20  43.667   8.027   6.965
  161    H    GLN  21           HN       GLN  21  40.839  13.716   4.897
  162    HA   GLN  21           HA       GLN  21  39.555  15.651   5.341
  163    HB2  GLN  21           HB2      GLN  21  37.649  14.000   6.197
  164    HB3  GLN  21           HB1      GLN  21  38.276  14.412   7.811
  165    HG2  GLN  21           HG2      GLN  21  38.041  16.866   7.161
  166    HG3  GLN  21           HG1      GLN  21  37.166  16.318   5.711
  167   HE21  GLN  21          HE21      GLN  21  34.946  16.420   6.006
  168   HE22  GLN  21          HE22      GLN  21  34.123  16.076   7.531
  169    H    ASN  22           HN       ASN  22  42.048  14.587   6.109
  170    HA   ASN  22           HA       ASN  22  43.768  14.823   7.608
  171    HB2  ASN  22           HB2      ASN  22  43.852  16.969   6.664
  172    HB3  ASN  22           HB1      ASN  22  42.482  17.553   7.654
  173   HD21  ASN  22          HD21      ASN  22  44.256  19.280   8.224
  174   HD22  ASN  22          HD22      ASN  22  45.309  18.883   9.587
  175    H    HIS  23           HN       HIS  23  42.368  13.202   8.670
  176    HA   HIS  23           HA       HIS  23  41.102  13.998  11.183
  177    HB2  HIS  23           HB2      HIS  23  40.525  11.929   9.895
  178    HB3  HIS  23           HB1      HIS  23  42.112  11.256  10.336
  179    HD1  HIS  23           HD1      HIS  23  42.580  10.868  12.935
  180    HD2  HIS  23           HD2      HIS  23  38.613  11.868  11.963
  181    HE1  HIS  23           HE1      HIS  23  41.128  10.268  14.950
  182    H    HIS  24           HN       HIS  24  41.789  13.238  13.321
  183    HA   HIS  24           HA       HIS  24  44.368  14.196  14.002
  184    HB2  HIS  24           HB2      HIS  24  42.432  13.899  15.572
  185    HB3  HIS  24           HB1      HIS  24  42.727  12.144  15.538
  186    HD1  HIS  24           HD1      HIS  24  43.840  11.550  17.692
  187    HD2  HIS  24           HD2      HIS  24  45.330  15.138  16.086
  188    HE1  HIS  24           HE1      HIS  24  45.787  12.296  19.170
  Start of MODEL   91
    1    H1   PHE   1           HT1      PHE   1  62.481  -0.449  -9.332
    2    H2   PHE   1           HT2      PHE   1  62.891  -0.091  -7.722
    3    H3   PHE   1           HT3      PHE   1  61.740   0.854  -8.541
    4    HA   PHE   1           HA       PHE   1  60.700  -1.589  -8.790
    5    HB2  PHE   1           HB2      PHE   1  62.430  -2.517  -7.286
    6    HB3  PHE   1           HB1      PHE   1  61.957  -1.351  -6.026
    7    HD1  PHE   1           HD1      PHE   1  61.050  -4.451  -7.792
    8    HD2  PHE   1           HD2      PHE   1  59.719  -1.489  -4.950
    9    HE1  PHE   1           HE1      PHE   1  59.237  -5.987  -7.041
   10    HE2  PHE   1           HE2      PHE   1  57.905  -3.025  -4.198
   11    HZ   PHE   1           HZ       PHE   1  57.622  -5.244  -5.295
   12    H    LEU   2           HN       LEU   2  61.171   1.317  -6.879
   13    HA   LEU   2           HA       LEU   2  58.857   1.439  -5.344
   14    HB2  LEU   2           HB2      LEU   2  59.080   3.810  -5.358
   15    HB3  LEU   2           HB1      LEU   2  60.724   3.165  -5.538
   16    HG   LEU   2           HG       LEU   2  58.943   4.325  -7.729
   17   HD11  LEU   2          HD11      LEU   2  60.228   5.867  -6.180
   18   HD12  LEU   2          HD12      LEU   2  60.672   6.008  -7.899
   19   HD13  LEU   2          HD13      LEU   2  61.727   5.115  -6.776
   20   HD21  LEU   2          HD21      LEU   2  60.052   2.476  -8.779
   21   HD22  LEU   2          HD22      LEU   2  61.560   2.770  -7.880
   22   HD23  LEU   2          HD23      LEU   2  61.052   3.895  -9.163
   23    H    GLY   3           HN       GLY   3  56.957   3.041  -5.805
   24    HA2  GLY   3           HA1      GLY   3  55.910   3.412  -8.383
   25    HA3  GLY   3           HA2      GLY   3  55.384   1.795  -7.878
   26    H    ALA   4           HN       ALA   4  55.611   3.121  -4.997
   27    HA   ALA   4           HA       ALA   4  53.437   5.022  -4.936
   28    HB1  ALA   4           HB1      ALA   4  52.048   3.129  -5.525
   29    HB2  ALA   4           HB2      ALA   4  51.770   3.535  -3.815
   30    HB3  ALA   4           HB3      ALA   4  52.786   2.138  -4.246
   31    H    LEU   5           HN       LEU   5  54.745   6.151  -3.532
   32    HA   LEU   5           HA       LEU   5  54.515   5.435  -0.755
   33    HB2  LEU   5           HB2      LEU   5  56.272   3.814  -1.248
   34    HB3  LEU   5           HB1      LEU   5  57.249   5.062  -2.048
   35    HG   LEU   5           HG       LEU   5  57.548   6.256   0.075
   36   HD11  LEU   5          HD11      LEU   5  55.555   4.192   1.085
   37   HD12  LEU   5          HD12      LEU   5  55.530   5.960   1.289
   38   HD13  LEU   5          HD13      LEU   5  56.696   4.979   2.202
   39   HD21  LEU   5          HD21      LEU   5  58.935   4.624   1.210
   40   HD22  LEU   5          HD22      LEU   5  59.016   4.285  -0.536
   41   HD23  LEU   5          HD23      LEU   5  58.000   3.276   0.522
   42    H    ILE   6           HN       ILE   6  55.974   7.298  -3.356
   43    HA   ILE   6           HA       ILE   6  56.287   9.663  -1.459
   44    HB   ILE   6           HB       ILE   6  57.851  10.575  -3.168
   45   HG12  ILE   6          HG12      ILE   6  57.392   7.915  -4.604
   46   HG13  ILE   6          HG11      ILE   6  56.837   9.502  -5.176
   47   HG21  ILE   6          HG21      ILE   6  59.702   9.140  -2.682
   48   HG22  ILE   6          HG22      ILE   6  58.656   7.704  -2.565
   49   HG23  ILE   6          HG23      ILE   6  58.586   8.963  -1.309
   50   HD11  ILE   6           HD1      ILE   6  59.342  10.212  -5.021
   51   HD12  ILE   6           HD2      ILE   6  58.857   9.149  -6.364
   52   HD13  ILE   6           HD3      ILE   6  59.679   8.465  -4.943
   53    H    LYS   7           HN       LYS   7  56.545  11.389  -3.962
   54    HA   LYS   7           HA       LYS   7  55.022  12.944  -4.790
   55    HB2  LYS   7           HB2      LYS   7  53.314  10.424  -5.131
   56    HB3  LYS   7           HB1      LYS   7  52.781  12.037  -5.657
   57    HG2  LYS   7           HG2      LYS   7  54.764  12.221  -7.128
   58    HG3  LYS   7           HG1      LYS   7  55.300  10.605  -6.606
   59    HD2  LYS   7           HD2      LYS   7  53.100   9.684  -7.439
   60    HD3  LYS   7           HD1      LYS   7  52.742  11.291  -8.114
   61    HE2  LYS   7           HE2      LYS   7  54.920  11.151  -9.396
   62    HE3  LYS   7           HE1      LYS   7  55.072   9.467  -8.843
   63    HZ1  LYS   7           HZ1      LYS   7  53.137  10.653 -10.714
   64    HZ2  LYS   7           HZ2      LYS   7  52.649   9.322  -9.777
   65    HZ3  LYS   7           HZ3      LYS   7  53.984   9.185 -10.819
   66    H    GLY   8           HN       GLY   8  55.519  11.960  -2.320
   67    HA2  GLY   8           HA1      GLY   8  54.923  11.682  -0.198
   68    HA3  GLY   8           HA2      GLY   8  54.322  13.374  -0.388
   69    H    ALA   9           HN       ALA   9  53.495   9.949  -0.545
   70    HA   ALA   9           HA       ALA   9  51.527   8.816  -0.181
   71    HB1  ALA   9           HB1      ALA   9  50.512  11.345   1.152
   72    HB2  ALA   9           HB2      ALA   9  51.638  10.214   1.940
   73    HB3  ALA   9           HB3      ALA   9  50.014   9.666   1.461
   74    H    ILE  10           HN       ILE  10  51.445   9.138  -2.592
   75    HA   ILE  10           HA       ILE  10  50.145   9.439  -4.468
   76    HB   ILE  10           HB       ILE  10  48.076   9.758  -2.286
   77   HG12  ILE  10          HG12      ILE  10  46.949   7.995  -3.611
   78   HG13  ILE  10          HG11      ILE  10  48.205   8.139  -4.866
   79   HG21  ILE  10          HG21      ILE  10  47.292  11.597  -3.572
   80   HG22  ILE  10          HG22      ILE  10  46.311  10.211  -4.104
   81   HG23  ILE  10          HG23      ILE  10  47.661  10.783  -5.114
   82   HD11  ILE  10           HD1      ILE  10  49.916   7.355  -3.371
   83   HD12  ILE  10           HD2      ILE  10  48.537   6.252  -3.164
   84   HD13  ILE  10           HD3      ILE  10  48.851   7.521  -1.955
   85    H    HIS  11           HN       HIS  11  49.054  12.118  -2.322
   86    HA   HIS  11           HA       HIS  11  50.522  14.065  -3.984
   87    HB2  HIS  11           HB2      HIS  11  48.385  13.731  -5.239
   88    HB3  HIS  11           HB1      HIS  11  47.482  14.175  -3.771
   89    HD1  HIS  11           HD1      HIS  11  47.630  16.655  -2.940
   90    HD2  HIS  11           HD2      HIS  11  49.542  15.910  -6.610
   91    HE1  HIS  11           HE1      HIS  11  48.176  18.920  -3.987
   92    H    GLY  12           HN       GLY  12  49.454  12.829  -1.171
   93    HA2  GLY  12           HA1      GLY  12  50.155  13.815   0.927
   94    HA3  GLY  12           HA2      GLY  12  49.853  15.436   0.272
   95    H    GLY  13           HN       GLY  13  47.860  12.457   0.291
   96    HA2  GLY  13           HA1      GLY  13  45.645  12.184   0.920
   97    HA3  GLY  13           HA2      GLY  13  46.138  13.048   2.389
   98    H    ARG  14           HN       ARG  14  45.147  13.604  -1.009
   99    HA   ARG  14           HA       ARG  14  43.194  15.604  -0.130
  100    HB2  ARG  14           HB2      ARG  14  45.511  16.784  -0.205
  101    HB3  ARG  14           HB1      ARG  14  45.408  16.592  -1.967
  102    HG2  ARG  14           HG2      ARG  14  44.516  18.765  -1.504
  103    HG3  ARG  14           HG1      ARG  14  43.118  17.729  -1.845
  104    HD2  ARG  14           HD2      ARG  14  42.405  17.730   0.397
  105    HD3  ARG  14           HD1      ARG  14  44.035  18.059   1.029
  106    HE   ARG  14           HE       ARG  14  43.269  20.315  -0.497
  107   HH11  ARG  14          HH11      ARG  14  40.648  19.433   0.880
  108   HH12  ARG  14          HH12      ARG  14  40.695  20.420   2.304
  109   HH21  ARG  14          HH21      ARG  14  44.050  21.224   1.955
  110   HH22  ARG  14          HH22      ARG  14  42.622  21.433   2.912
  111    H    PHE  15           HN       PHE  15  44.642  13.463  -2.373
  112    HA   PHE  15           HA       PHE  15  42.768  14.253  -4.574
  113    HB2  PHE  15           HB2      PHE  15  45.247  13.641  -4.958
  114    HB3  PHE  15           HB1      PHE  15  44.782  11.965  -4.582
  115    HD1  PHE  15           HD1      PHE  15  43.740  14.881  -6.735
  116    HD2  PHE  15           HD2      PHE  15  43.975  10.589  -6.339
  117    HE1  PHE  15           HE1      PHE  15  42.899  14.619  -9.065
  118    HE2  PHE  15           HE2      PHE  15  43.132  10.329  -8.668
  119    HZ   PHE  15           HZ       PHE  15  42.527  12.342 -10.005
  120    H    ILE  16           HN       ILE  16  43.110  12.192  -1.891
  121    HA   ILE  16           HA       ILE  16  40.548  10.870  -2.489
  122    HB   ILE  16           HB       ILE  16  41.315   8.594  -2.124
  123   HG12  ILE  16          HG12      ILE  16  43.229   8.608  -0.740
  124   HG13  ILE  16          HG11      ILE  16  43.914   8.184  -2.312
  125   HG21  ILE  16          HG21      ILE  16  43.044   9.857  -4.287
  126   HG22  ILE  16          HG22      ILE  16  41.295   9.578  -4.434
  127   HG23  ILE  16          HG23      ILE  16  42.403   8.201  -4.241
  128   HD11  ILE  16           HD1      ILE  16  43.977  10.910  -0.947
  129   HD12  ILE  16           HD2      ILE  16  44.478  10.643  -2.634
  130   HD13  ILE  16           HD3      ILE  16  45.346   9.842  -1.313
  131    H    HIS  17           HN       HIS  17  41.046  12.830  -0.690
  132    HA   HIS  17           HA       HIS  17  40.734  11.359   1.901
  133    HB2  HIS  17           HB2      HIS  17  43.113  12.152   1.709
  134    HB3  HIS  17           HB1      HIS  17  42.500  13.817   1.568
  135    HD1  HIS  17           HD1      HIS  17  41.650  14.986   3.679
  136    HD2  HIS  17           HD2      HIS  17  42.529  10.921   4.291
  137    HE1  HIS  17           HE1      HIS  17  41.600  14.567   6.199
  138    H    GLY  18           HN       GLY  18  40.215  14.182  -0.162
  139    HA2  GLY  18           HA1      GLY  18  38.860  15.910   1.592
  140    HA3  GLY  18           HA2      GLY  18  38.452  15.694  -0.133
  141    H    MET  19           HN       MET  19  37.687  13.237  -0.325
  142    HA   MET  19           HA       MET  19  35.850  12.218   1.521
  143    HB2  MET  19           HB2      MET  19  34.694  14.483   0.865
  144    HB3  MET  19           HB1      MET  19  34.329  13.624  -0.642
  145    HG2  MET  19           HG2      MET  19  32.426  13.205   0.700
  146    HG3  MET  19           HG1      MET  19  33.401  11.738   0.934
  147    HE1  MET  19           HE1      MET  19  32.729  15.271   3.751
  148    HE2  MET  19           HE2      MET  19  31.394  14.428   2.930
  149    HE3  MET  19           HE3      MET  19  32.665  15.227   1.973
  150    H    ILE  20           HN       ILE  20  37.873  11.917  -0.672
  151    HA   ILE  20           HA       ILE  20  38.242  10.364  -2.345
  152    HB   ILE  20           HB       ILE  20  35.598   8.992  -1.656
  153   HG12  ILE  20          HG12      ILE  20  36.649   9.191   0.490
  154   HG13  ILE  20          HG11      ILE  20  37.003   7.547  -0.071
  155   HG21  ILE  20          HG21      ILE  20  36.559   8.067  -3.612
  156   HG22  ILE  20          HG22      ILE  20  37.047   6.955  -2.317
  157   HG23  ILE  20          HG23      ILE  20  38.208   8.133  -2.960
  158   HD11  ILE  20           HD1      ILE  20  38.876   9.957  -0.080
  159   HD12  ILE  20           HD2      ILE  20  39.245   8.435  -0.921
  160   HD13  ILE  20           HD3      ILE  20  39.048   8.448   0.842
  161    H    GLN  21           HN       GLN  21  35.723  12.453  -1.790
  162    HA   GLN  21           HA       GLN  21  35.008  12.479  -4.758
  163    HB2  GLN  21           HB2      GLN  21  33.199  11.359  -3.469
  164    HB3  GLN  21           HB1      GLN  21  33.045  12.812  -2.456
  165    HG2  GLN  21           HG2      GLN  21  32.321  14.152  -4.307
  166    HG3  GLN  21           HG1      GLN  21  32.799  12.910  -5.489
  167   HE21  GLN  21          HE21      GLN  21  30.102  14.221  -4.008
  168   HE22  GLN  21          HE22      GLN  21  29.038  12.814  -4.080
  169    H    ASN  22           HN       ASN  22  36.004  14.204  -1.897
  170    HA   ASN  22           HA       ASN  22  35.218  16.818  -3.193
  171    HB2  ASN  22           HB2      ASN  22  34.462  16.384  -0.827
  172    HB3  ASN  22           HB1      ASN  22  36.174  16.314  -0.350
  173   HD21  ASN  22          HD21      ASN  22  35.502  18.284   1.024
  174   HD22  ASN  22          HD22      ASN  22  35.556  19.862   0.231
  175    H    HIS  23           HN       HIS  23  37.832  14.720  -2.229
  176    HA   HIS  23           HA       HIS  23  40.127  14.955  -2.396
  177    HB2  HIS  23           HB2      HIS  23  39.253  16.758  -4.684
  178    HB3  HIS  23           HB1      HIS  23  40.922  16.198  -4.428
  179    HD1  HIS  23           HD1      HIS  23  40.214  15.126  -6.952
  180    HD2  HIS  23           HD2      HIS  23  38.740  13.291  -3.468
  181    HE1  HIS  23           HE1      HIS  23  39.464  12.769  -7.592
  182    H    HIS  24           HN       HIS  24  39.574  18.226  -3.634
  183    HA   HIS  24           HA       HIS  24  41.420  19.365  -1.721
  184    HB2  HIS  24           HB2      HIS  24  39.379  20.706  -3.538
  185    HB3  HIS  24           HB1      HIS  24  40.709  21.528  -2.687
  186    HD1  HIS  24           HD1      HIS  24  42.884  19.264  -3.144
  187    HD2  HIS  24           HD2      HIS  24  40.484  21.012  -6.122
  188    HE1  HIS  24           HE1      HIS  24  44.071  18.918  -5.381
  Start of MODEL   92
    1    H1   PHE   1           HT1      PHE   1  53.702   6.925 -12.477
    2    H2   PHE   1           HT2      PHE   1  54.064   7.812 -11.075
    3    H3   PHE   1           HT3      PHE   1  52.760   8.271 -12.062
    4    HA   PHE   1           HA       PHE   1  52.069   7.149 -10.033
    5    HB2  PHE   1           HB2      PHE   1  51.526   5.752 -12.682
    6    HB3  PHE   1           HB1      PHE   1  50.574   5.515 -11.196
    7    HD1  PHE   1           HD1      PHE   1  49.129   7.288 -10.319
    8    HD2  PHE   1           HD2      PHE   1  51.467   7.892 -13.897
    9    HE1  PHE   1           HE1      PHE   1  47.799   9.329 -10.843
   10    HE2  PHE   1           HE2      PHE   1  50.136   9.932 -14.421
   11    HZ   PHE   1           HZ       PHE   1  48.277  10.629 -12.915
   12    H    LEU   2           HN       LEU   2  54.668   6.479  -9.737
   13    HA   LEU   2           HA       LEU   2  55.118   3.626 -10.159
   14    HB2  LEU   2           HB2      LEU   2  56.608   5.373  -8.172
   15    HB3  LEU   2           HB1      LEU   2  57.209   3.980  -9.103
   16    HG   LEU   2           HG       LEU   2  56.421   6.711 -10.214
   17   HD11  LEU   2          HD11      LEU   2  58.779   6.951 -10.706
   18   HD12  LEU   2          HD12      LEU   2  59.107   5.271 -10.221
   19   HD13  LEU   2          HD13      LEU   2  58.640   6.476  -8.997
   20   HD21  LEU   2          HD21      LEU   2  55.792   5.098 -11.876
   21   HD22  LEU   2          HD22      LEU   2  57.233   4.100 -11.561
   22   HD23  LEU   2          HD23      LEU   2  57.400   5.679 -12.367
   23    H    GLY   3           HN       GLY   3  55.232   1.981  -8.592
   24    HA2  GLY   3           HA1      GLY   3  53.088   1.920  -6.747
   25    HA3  GLY   3           HA2      GLY   3  54.476   0.815  -6.745
   26    H    ALA   4           HN       ALA   4  55.995   3.628  -6.520
   27    HA   ALA   4           HA       ALA   4  56.432   3.349  -3.658
   28    HB1  ALA   4           HB1      ALA   4  58.198   4.053  -5.242
   29    HB2  ALA   4           HB2      ALA   4  57.953   5.243  -3.941
   30    HB3  ALA   4           HB3      ALA   4  57.294   5.552  -5.566
   31    H    LEU   5           HN       LEU   5  55.624   4.474  -1.981
   32    HA   LEU   5           HA       LEU   5  53.232   6.094  -2.467
   33    HB2  LEU   5           HB2      LEU   5  54.773   5.228   0.003
   34    HB3  LEU   5           HB1      LEU   5  53.415   6.371   0.111
   35    HG   LEU   5           HG       LEU   5  51.892   4.748  -0.883
   36   HD11  LEU   5          HD11      LEU   5  54.439   3.131  -1.287
   37   HD12  LEU   5          HD12      LEU   5  53.210   3.590  -2.492
   38   HD13  LEU   5          HD13      LEU   5  52.836   2.358  -1.266
   39   HD21  LEU   5          HD21      LEU   5  52.311   4.602   1.557
   40   HD22  LEU   5          HD22      LEU   5  53.647   3.463   1.262
   41   HD23  LEU   5          HD23      LEU   5  51.975   2.994   0.872
   42    H    ILE   6           HN       ILE   6  55.677   7.149  -3.638
   43    HA   ILE   6           HA       ILE   6  56.449   9.448  -1.898
   44    HB   ILE   6           HB       ILE   6  57.939   8.139  -3.681
   45   HG12  ILE   6          HG12      ILE   6  59.020  10.546  -4.277
   46   HG13  ILE   6          HG11      ILE   6  57.848  11.108  -3.066
   47   HG21  ILE   6          HG21      ILE   6  57.119  10.259  -5.664
   48   HG22  ILE   6          HG22      ILE   6  56.055   8.842  -5.504
   49   HG23  ILE   6          HG23      ILE   6  57.765   8.626  -5.937
   50   HD11  ILE   6           HD1      ILE   6  58.774   9.223  -1.551
   51   HD12  ILE   6           HD2      ILE   6  59.820  10.637  -1.826
   52   HD13  ILE   6           HD3      ILE   6  60.116   9.122  -2.712
   53    H    LYS   7           HN       LYS   7  56.620  11.315  -4.273
   54    HA   LYS   7           HA       LYS   7  55.297  13.178  -4.734
   55    HB2  LYS   7           HB2      LYS   7  53.190  10.983  -5.038
   56    HB3  LYS   7           HB1      LYS   7  52.809  12.704  -5.287
   57    HG2  LYS   7           HG2      LYS   7  54.418  12.875  -7.090
   58    HG3  LYS   7           HG1      LYS   7  55.044  11.243  -6.753
   59    HD2  LYS   7           HD2      LYS   7  52.763  10.317  -7.277
   60    HD3  LYS   7           HD1      LYS   7  52.254  11.955  -7.756
   61    HE2  LYS   7           HE2      LYS   7  52.971  10.585  -9.715
   62    HE3  LYS   7           HE1      LYS   7  53.998  12.021  -9.488
   63    HZ1  LYS   7           HZ1      LYS   7  55.747  10.766  -8.766
   64    HZ2  LYS   7           HZ2      LYS   7  55.039   9.658  -9.842
   65    HZ3  LYS   7           HZ3      LYS   7  54.775   9.512  -8.170
   66    H    GLY   8           HN       GLY   8  55.924  11.874  -2.448
   67    HA2  GLY   8           HA1      GLY   8  55.603  11.506  -0.294
   68    HA3  GLY   8           HA2      GLY   8  55.242  13.276  -0.263
   69    H    ALA   9           HN       ALA   9  53.956  10.018  -0.381
   70    HA   ALA   9           HA       ALA   9  51.924   9.123   0.207
   71    HB1  ALA   9           HB1      ALA   9  50.698  10.186   2.029
   72    HB2  ALA   9           HB2      ALA   9  51.592  11.703   1.774
   73    HB3  ALA   9           HB3      ALA   9  52.448  10.251   2.346
   74    H    ILE  10           HN       ILE  10  51.675   9.800  -2.236
   75    HA   ILE  10           HA       ILE  10  50.392  10.838  -3.907
   76    HB   ILE  10           HB       ILE  10  47.923  10.277  -3.615
   77   HG12  ILE  10          HG12      ILE  10  48.903   9.017  -1.008
   78   HG13  ILE  10          HG11      ILE  10  47.969  10.527  -1.082
   79   HG21  ILE  10          HG21      ILE  10  49.833   7.999  -2.934
   80   HG22  ILE  10          HG22      ILE  10  49.686   8.710  -4.558
   81   HG23  ILE  10          HG23      ILE  10  48.294   7.890  -3.819
   82   HD11  ILE  10           HD1      ILE  10  46.237   9.130  -2.462
   83   HD12  ILE  10           HD2      ILE  10  46.322   8.873  -0.705
   84   HD13  ILE  10           HD3      ILE  10  47.094   7.714  -1.809
   85    H    HIS  11           HN       HIS  11  51.259  12.983  -2.856
   86    HA   HIS  11           HA       HIS  11  50.819  15.187  -2.265
   87    HB2  HIS  11           HB2      HIS  11  48.250  14.576  -3.781
   88    HB3  HIS  11           HB1      HIS  11  48.884  16.199  -3.420
   89    HD1  HIS  11           HD1      HIS  11  51.128  16.930  -4.598
   90    HD2  HIS  11           HD2      HIS  11  49.629  13.206  -5.852
   91    HE1  HIS  11           HE1      HIS  11  52.338  16.311  -6.761
   92    H    GLY  12           HN       GLY  12  50.079  13.174  -0.318
   93    HA2  GLY  12           HA1      GLY  12  49.152  13.314   1.815
   94    HA3  GLY  12           HA2      GLY  12  48.431  14.879   1.389
   95    H    GLY  13           HN       GLY  13  47.307  13.407  -1.109
   96    HA2  GLY  13           HA1      GLY  13  45.559  11.360  -0.476
   97    HA3  GLY  13           HA2      GLY  13  44.740  12.805   0.145
   98    H    ARG  14           HN       ARG  14  46.511  11.789  -2.852
   99    HA   ARG  14           HA       ARG  14  45.910  12.302  -5.076
  100    HB2  ARG  14           HB2      ARG  14  43.061  12.256  -4.127
  101    HB3  ARG  14           HB1      ARG  14  43.742  11.659  -5.654
  102    HG2  ARG  14           HG2      ARG  14  45.005   9.925  -4.327
  103    HG3  ARG  14           HG1      ARG  14  44.088  10.441  -2.891
  104    HD2  ARG  14           HD2      ARG  14  43.004   8.495  -3.952
  105    HD3  ARG  14           HD1      ARG  14  41.964   9.934  -4.071
  106    HE   ARG  14           HE       ARG  14  43.636   9.696  -6.415
  107   HH11  ARG  14          HH11      ARG  14  42.465   6.919  -6.018
  108   HH12  ARG  14          HH12      ARG  14  41.000   7.034  -6.935
  109   HH21  ARG  14          HH21      ARG  14  41.053  10.498  -7.084
  110   HH22  ARG  14          HH22      ARG  14  40.200   9.060  -7.538
  111    H    PHE  15           HN       PHE  15  46.474  14.395  -3.202
  112    HA   PHE  15           HA       PHE  15  46.573  16.708  -3.314
  113    HB2  PHE  15           HB2      PHE  15  45.964  16.280  -5.860
  114    HB3  PHE  15           HB1      PHE  15  44.352  16.842  -5.371
  115    HD1  PHE  15           HD1      PHE  15  47.835  17.813  -6.003
  116    HD2  PHE  15           HD2      PHE  15  44.048  19.134  -4.407
  117    HE1  PHE  15           HE1      PHE  15  48.616  20.176  -6.105
  118    HE2  PHE  15           HE2      PHE  15  44.830  21.497  -4.509
  119    HZ   PHE  15           HZ       PHE  15  47.146  22.008  -5.273
  120    H    ILE  16           HN       ILE  16  43.453  15.107  -3.521
  121    HA   ILE  16           HA       ILE  16  42.541  15.962  -1.011
  122    HB   ILE  16           HB       ILE  16  42.275  18.060  -2.983
  123   HG12  ILE  16          HG12      ILE  16  40.932  17.822  -0.253
  124   HG13  ILE  16          HG11      ILE  16  42.631  18.277  -0.504
  125   HG21  ILE  16          HG21      ILE  16  39.857  18.490  -3.030
  126   HG22  ILE  16          HG22      ILE  16  39.551  16.993  -2.120
  127   HG23  ILE  16          HG23      ILE  16  40.204  16.916  -3.772
  128   HD11  ILE  16           HD1      ILE  16  41.579  20.127  -2.119
  129   HD12  ILE  16           HD2      ILE  16  41.620  20.389  -0.361
  130   HD13  ILE  16           HD3      ILE  16  40.120  19.844  -1.140
  131    H    HIS  17           HN       HIS  17  42.214  14.688  -4.188
  132    HA   HIS  17           HA       HIS  17  40.854  12.364  -3.558
  133    HB2  HIS  17           HB2      HIS  17  38.937  14.661  -3.563
  134    HB3  HIS  17           HB1      HIS  17  38.398  13.259  -4.497
  135    HD1  HIS  17           HD1      HIS  17  37.923  14.550  -1.290
  136    HD2  HIS  17           HD2      HIS  17  39.088  10.753  -2.679
  137    HE1  HIS  17           HE1      HIS  17  37.448  12.875   0.581
  138    H    GLY  18           HN       GLY  18  42.767  13.232  -5.538
  139    HA2  GLY  18           HA1      GLY  18  42.767  11.953  -7.722
  140    HA3  GLY  18           HA2      GLY  18  41.202  12.711  -8.080
  141    H    MET  19           HN       MET  19  41.611  15.146  -7.061
  142    HA   MET  19           HA       MET  19  43.783  16.623  -7.606
  143    HB2  MET  19           HB2      MET  19  42.849  15.631 -10.181
  144    HB3  MET  19           HB1      MET  19  42.713  17.395 -10.137
  145    HG2  MET  19           HG2      MET  19  45.076  17.607  -9.556
  146    HG3  MET  19           HG1      MET  19  45.237  15.840  -9.415
  147    HE1  MET  19           HE1      MET  19  46.111  14.433 -11.233
  148    HE2  MET  19           HE2      MET  19  45.372  14.447 -12.852
  149    HE3  MET  19           HE3      MET  19  44.348  14.261 -11.407
  150    H    ILE  20           HN       ILE  20  42.730  17.500  -5.844
  151    HA   ILE  20           HA       ILE  20  41.358  19.114  -4.870
  152    HB   ILE  20           HB       ILE  20  40.565  20.128  -7.641
  153   HG12  ILE  20          HG12      ILE  20  43.146  20.720  -6.112
  154   HG13  ILE  20          HG11      ILE  20  43.026  19.896  -7.681
  155   HG21  ILE  20          HG21      ILE  20  41.171  21.719  -5.114
  156   HG22  ILE  20          HG22      ILE  20  39.571  21.002  -5.396
  157   HG23  ILE  20          HG23      ILE  20  40.213  22.207  -6.531
  158   HD11  ILE  20           HD1      ILE  20  41.813  22.037  -8.508
  159   HD12  ILE  20           HD2      ILE  20  43.569  22.139  -8.239
  160   HD13  ILE  20           HD3      ILE  20  42.445  22.803  -7.031
  161    H    GLN  21           HN       GLN  21  40.774  16.524  -6.238
  162    HA   GLN  21           HA       GLN  21  38.887  15.099  -5.912
  163    HB2  GLN  21           HB2      GLN  21  37.635  17.119  -4.757
  164    HB3  GLN  21           HB1      GLN  21  36.956  17.415  -6.376
  165    HG2  GLN  21           HG2      GLN  21  36.254  14.958  -6.405
  166    HG3  GLN  21           HG1      GLN  21  36.693  14.897  -4.681
  167   HE21  GLN  21          HE21      GLN  21  34.048  15.282  -6.667
  168   HE22  GLN  21          HE22      GLN  21  33.054  16.298  -5.618
  169    H    ASN  22           HN       ASN  22  40.530  16.021  -8.000
  170    HA   ASN  22           HA       ASN  22  40.671  16.198 -10.294
  171    HB2  ASN  22           HB2      ASN  22  39.507  14.344 -11.496
  172    HB3  ASN  22           HB1      ASN  22  40.426  13.834 -10.049
  173   HD21  ASN  22          HD21      ASN  22  37.128  14.378 -11.355
  174   HD22  ASN  22          HD22      ASN  22  36.299  13.501 -10.063
  175    H    HIS  23           HN       HIS  23  39.393  18.235  -9.385
  176    HA   HIS  23           HA       HIS  23  37.713  19.818  -9.817
  177    HB2  HIS  23           HB2      HIS  23  37.504  20.345 -12.239
  178    HB3  HIS  23           HB1      HIS  23  39.194  20.095 -11.740
  179    HD1  HIS  23           HD1      HIS  23  36.390  18.553 -13.752
  180    HD2  HIS  23           HD2      HIS  23  40.428  17.803 -12.856
  181    HE1  HIS  23           HE1      HIS  23  37.171  16.661 -15.281
  182    H    HIS  24           HN       HIS  24  36.453  17.590  -8.889
  183    HA   HIS  24           HA       HIS  24  34.425  16.457  -8.919
  184    HB2  HIS  24           HB2      HIS  24  33.669  18.846  -8.792
  185    HB3  HIS  24           HB1      HIS  24  33.508  18.847 -10.564
  186    HD1  HIS  24           HD1      HIS  24  32.669  15.519  -9.668
  187    HD2  HIS  24           HD2      HIS  24  30.652  19.186  -9.258
  188    HE1  HIS  24           HE1      HIS  24  30.180  14.995  -9.425
  Start of MODEL   93
    1    H1   PHE   1           HT1      PHE   1  60.475  -2.070  -3.898
    2    H2   PHE   1           HT2      PHE   1  60.875  -2.984  -5.272
    3    H3   PHE   1           HT3      PHE   1  59.257  -2.861  -4.770
    4    HA   PHE   1           HA       PHE   1  60.958  -0.676  -5.788
    5    HB2  PHE   1           HB2      PHE   1  58.451  -1.880  -7.013
    6    HB3  PHE   1           HB1      PHE   1  59.600  -0.741  -7.757
    7    HD1  PHE   1           HD1      PHE   1  58.983  -4.253  -6.797
    8    HD2  PHE   1           HD2      PHE   1  61.842  -1.488  -8.474
    9    HE1  PHE   1           HE1      PHE   1  60.342  -6.167  -7.636
   10    HE2  PHE   1           HE2      PHE   1  63.202  -3.403  -9.312
   11    HZ   PHE   1           HZ       PHE   1  62.468  -5.740  -8.864
   12    H    LEU   2           HN       LEU   2  58.739   0.717  -6.843
   13    HA   LEU   2           HA       LEU   2  56.764   1.164  -4.755
   14    HB2  LEU   2           HB2      LEU   2  57.636   3.656  -4.470
   15    HB3  LEU   2           HB1      LEU   2  58.323   2.351  -3.478
   16    HG   LEU   2           HG       LEU   2  60.233   2.134  -4.988
   17   HD11  LEU   2          HD11      LEU   2  58.695   4.173  -6.645
   18   HD12  LEU   2          HD12      LEU   2  59.328   2.587  -7.152
   19   HD13  LEU   2          HD13      LEU   2  60.448   3.931  -6.839
   20   HD21  LEU   2          HD21      LEU   2  60.218   3.898  -3.179
   21   HD22  LEU   2          HD22      LEU   2  59.717   5.083  -4.409
   22   HD23  LEU   2          HD23      LEU   2  61.298   4.276  -4.542
   23    H    GLY   3           HN       GLY   3  55.662   3.434  -5.226
   24    HA2  GLY   3           HA1      GLY   3  55.745   4.674  -7.716
   25    HA3  GLY   3           HA2      GLY   3  54.742   3.231  -7.969
   26    H    ALA   4           HN       ALA   4  54.706   4.484  -4.779
   27    HA   ALA   4           HA       ALA   4  52.529   6.396  -5.202
   28    HB1  ALA   4           HB1      ALA   4  50.890   5.037  -3.838
   29    HB2  ALA   4           HB2      ALA   4  51.963   3.636  -4.071
   30    HB3  ALA   4           HB3      ALA   4  51.199   4.416  -5.476
   31    H    LEU   5           HN       LEU   5  54.857   4.686  -3.326
   32    HA   LEU   5           HA       LEU   5  54.161   5.570  -0.702
   33    HB2  LEU   5           HB2      LEU   5  55.926   3.846  -1.366
   34    HB3  LEU   5           HB1      LEU   5  56.976   5.215  -1.793
   35    HG   LEU   5           HG       LEU   5  56.409   6.071   0.660
   36   HD11  LEU   5          HD11      LEU   5  56.147   4.129   2.244
   37   HD12  LEU   5          HD12      LEU   5  55.824   3.077   0.849
   38   HD13  LEU   5          HD13      LEU   5  54.710   4.409   1.238
   39   HD21  LEU   5          HD21      LEU   5  58.333   4.739   1.546
   40   HD22  LEU   5          HD22      LEU   5  58.659   5.415  -0.068
   41   HD23  LEU   5          HD23      LEU   5  58.241   3.694   0.108
   42    H    ILE   6           HN       ILE   6  56.372   6.985  -3.146
   43    HA   ILE   6           HA       ILE   6  56.614   9.484  -1.505
   44    HB   ILE   6           HB       ILE   6  58.166  10.214  -3.296
   45   HG12  ILE   6          HG12      ILE   6  57.305   7.630  -4.682
   46   HG13  ILE   6          HG11      ILE   6  57.013   9.286  -5.258
   47   HG21  ILE   6          HG21      ILE   6  58.865   8.550  -1.465
   48   HG22  ILE   6          HG22      ILE   6  59.912   8.621  -2.902
   49   HG23  ILE   6          HG23      ILE   6  58.752   7.284  -2.712
   50   HD11  ILE   6           HD1      ILE   6  58.907   8.576  -6.499
   51   HD12  ILE   6           HD2      ILE   6  59.642   7.776  -5.090
   52   HD13  ILE   6           HD3      ILE   6  59.605   9.555  -5.186
   53    H    LYS   7           HN       LYS   7  56.844  11.180  -3.957
   54    HA   LYS   7           HA       LYS   7  55.347  12.755  -4.797
   55    HB2  LYS   7           HB2      LYS   7  54.541  10.575  -6.097
   56    HB3  LYS   7           HB1      LYS   7  53.175  10.619  -4.960
   57    HG2  LYS   7           HG2      LYS   7  52.624  12.914  -5.670
   58    HG3  LYS   7           HG1      LYS   7  54.025  12.936  -6.763
   59    HD2  LYS   7           HD2      LYS   7  51.942  10.738  -7.046
   60    HD3  LYS   7           HD1      LYS   7  51.611  12.350  -7.716
   61    HE2  LYS   7           HE2      LYS   7  54.024  10.600  -8.380
   62    HE3  LYS   7           HE1      LYS   7  52.623  10.900  -9.431
   63    HZ1  LYS   7           HZ1      LYS   7  53.680  13.358  -8.526
   64    HZ2  LYS   7           HZ2      LYS   7  53.547  12.774 -10.116
   65    HZ3  LYS   7           HZ3      LYS   7  54.934  12.432  -9.195
   66    H    GLY   8           HN       GLY   8  55.848  11.756  -2.332
   67    HA2  GLY   8           HA1      GLY   8  55.298  11.510  -0.203
   68    HA3  GLY   8           HA2      GLY   8  54.708  13.206  -0.386
   69    H    ALA   9           HN       ALA   9  53.855   9.791  -0.496
   70    HA   ALA   9           HA       ALA   9  51.898   8.669  -0.055
   71    HB1  ALA   9           HB1      ALA   9  50.404   9.558   1.568
   72    HB2  ALA   9           HB2      ALA   9  50.848  11.236   1.173
   73    HB3  ALA   9           HB3      ALA   9  52.015  10.178   2.002
   74    H    ILE  10           HN       ILE  10  51.782   8.850  -2.471
   75    HA   ILE  10           HA       ILE  10  50.470   9.086  -4.348
   76    HB   ILE  10           HB       ILE  10  48.431   9.513  -2.154
   77   HG12  ILE  10          HG12      ILE  10  48.036   7.810  -4.629
   78   HG13  ILE  10          HG11      ILE  10  49.239   7.293  -3.429
   79   HG21  ILE  10          HG21      ILE  10  46.649   9.844  -4.025
   80   HG22  ILE  10          HG22      ILE  10  48.002  10.425  -5.016
   81   HG23  ILE  10          HG23      ILE  10  47.585  11.262  -3.499
   82   HD11  ILE  10           HD1      ILE  10  46.791   6.421  -3.171
   83   HD12  ILE  10           HD2      ILE  10  46.428   8.051  -2.559
   84   HD13  ILE  10           HD3      ILE  10  47.622   7.034  -1.723
   85    H    HIS  11           HN       HIS  11  49.305  11.841  -2.348
   86    HA   HIS  11           HA       HIS  11  50.825  13.738  -4.015
   87    HB2  HIS  11           HB2      HIS  11  48.803  13.313  -5.401
   88    HB3  HIS  11           HB1      HIS  11  47.776  13.759  -4.016
   89    HD1  HIS  11           HD1      HIS  11  50.965  15.666  -4.464
   90    HD2  HIS  11           HD2      HIS  11  46.919  16.086  -5.534
   91    HE1  HIS  11           HE1      HIS  11  50.623  18.085  -5.210
   92    H    GLY  12           HN       GLY  12  49.791  12.622  -1.201
   93    HA2  GLY  12           HA1      GLY  12  50.446  13.891   0.807
   94    HA3  GLY  12           HA2      GLY  12  49.751  15.354   0.083
   95    H    GLY  13           HN       GLY  13  48.079  12.326  -0.328
   96    HA2  GLY  13           HA1      GLY  13  46.097  11.538   0.573
   97    HA3  GLY  13           HA2      GLY  13  46.496  12.413   2.065
   98    H    ARG  14           HN       ARG  14  46.015  13.713  -1.217
   99    HA   ARG  14           HA       ARG  14  43.478  15.030  -0.280
  100    HB2  ARG  14           HB2      ARG  14  45.816  16.365  -1.704
  101    HB3  ARG  14           HB1      ARG  14  44.220  17.107  -1.462
  102    HG2  ARG  14           HG2      ARG  14  46.017  16.095   0.792
  103    HG3  ARG  14           HG1      ARG  14  45.922  17.791   0.270
  104    HD2  ARG  14           HD2      ARG  14  43.295  17.428   0.672
  105    HD3  ARG  14           HD1      ARG  14  43.874  16.131   1.747
  106    HE   ARG  14           HE       ARG  14  44.121  18.996   2.227
  107   HH11  ARG  14          HH11      ARG  14  46.633  19.130   2.898
  108   HH12  ARG  14          HH12      ARG  14  46.937  18.146   4.291
  109   HH21  ARG  14          HH21      ARG  14  44.011  16.313   3.962
  110   HH22  ARG  14          HH22      ARG  14  45.452  16.550   4.893
  111    H    PHE  15           HN       PHE  15  45.175  13.181  -2.552
  112    HA   PHE  15           HA       PHE  15  44.028  14.010  -5.013
  113    HB2  PHE  15           HB2      PHE  15  45.817  12.267  -4.732
  114    HB3  PHE  15           HB1      PHE  15  44.570  11.144  -4.138
  115    HD1  PHE  15           HD1      PHE  15  45.559  13.274  -7.062
  116    HD2  PHE  15           HD2      PHE  15  43.129   9.990  -5.665
  117    HE1  PHE  15           HE1      PHE  15  44.943  12.728  -9.413
  118    HE2  PHE  15           HE2      PHE  15  42.513   9.446  -8.017
  119    HZ   PHE  15           HZ       PHE  15  43.341  10.878  -9.880
  120    H    ILE  16           HN       ILE  16  42.672  12.425  -2.232
  121    HA   ILE  16           HA       ILE  16  40.076  12.020  -3.717
  122    HB   ILE  16           HB       ILE  16  40.973  10.595  -1.167
  123   HG12  ILE  16          HG12      ILE  16  40.888   8.598  -3.025
  124   HG13  ILE  16          HG11      ILE  16  41.337   9.933  -4.107
  125   HG21  ILE  16          HG21      ILE  16  38.635  10.205  -3.091
  126   HG22  ILE  16          HG22      ILE  16  38.538  10.833  -1.429
  127   HG23  ILE  16          HG23      ILE  16  39.010   9.144  -1.713
  128   HD11  ILE  16           HD1      ILE  16  42.870   8.776  -1.760
  129   HD12  ILE  16           HD2      ILE  16  43.175  10.450  -2.273
  130   HD13  ILE  16           HD3      ILE  16  43.434   9.110  -3.413
  131    H    HIS  17           HN       HIS  17  40.865  12.114  -0.202
  132    HA   HIS  17           HA       HIS  17  39.824  14.805   0.129
  133    HB2  HIS  17           HB2      HIS  17  37.697  13.597  -0.454
  134    HB3  HIS  17           HB1      HIS  17  37.925  12.593   0.995
  135    HD1  HIS  17           HD1      HIS  17  39.268  15.812   1.824
  136    HD2  HIS  17           HD2      HIS  17  35.360  14.305   1.466
  137    HE1  HIS  17           HE1      HIS  17  37.732  17.356   3.157
  138    H    GLY  18           HN       GLY  18  42.024  13.114   0.962
  139    HA2  GLY  18           HA1      GLY  18  42.877  13.900   3.321
  140    HA3  GLY  18           HA2      GLY  18  41.593  12.810   3.902
  141    H    MET  19           HN       MET  19  41.583  10.794   2.276
  142    HA   MET  19           HA       MET  19  43.842   9.683   1.270
  143    HB2  MET  19           HB2      MET  19  44.179   9.789   4.140
  144    HB3  MET  19           HB1      MET  19  44.000   8.086   3.673
  145    HG2  MET  19           HG2      MET  19  45.979  10.052   2.436
  146    HG3  MET  19           HG1      MET  19  46.377   8.818   3.655
  147    HE1  MET  19           HE1      MET  19  47.291   6.570   3.011
  148    HE2  MET  19           HE2      MET  19  46.313   5.510   1.969
  149    HE3  MET  19           HE3      MET  19  45.562   6.330   3.358
  150    H    ILE  20           HN       ILE  20  42.210   9.099  -0.092
  151    HA   ILE  20           HA       ILE  20  40.616   7.605  -0.892
  152    HB   ILE  20           HB       ILE  20  41.134   5.762   1.486
  153   HG12  ILE  20          HG12      ILE  20  42.848   6.124  -1.020
  154   HG13  ILE  20          HG11      ILE  20  43.362   6.375   0.662
  155   HG21  ILE  20          HG21      ILE  20  40.664   5.057  -1.443
  156   HG22  ILE  20          HG22      ILE  20  39.314   5.357  -0.326
  157   HG23  ILE  20          HG23      ILE  20  40.448   4.028  -0.007
  158   HD11  ILE  20           HD1      ILE  20  42.702   3.894   1.044
  159   HD12  ILE  20           HD2      ILE  20  44.186   4.216   0.114
  160   HD13  ILE  20           HD3      ILE  20  42.687   3.765  -0.732
  161    H    GLN  21           HN       GLN  21  40.536   9.605   1.300
  162    HA   GLN  21           HA       GLN  21  38.623  10.701   2.206
  163    HB2  GLN  21           HB2      GLN  21  37.116   8.830   1.090
  164    HB3  GLN  21           HB1      GLN  21  37.202   8.050   2.687
  165    HG2  GLN  21           HG2      GLN  21  36.431  10.253   3.698
  166    HG3  GLN  21           HG1      GLN  21  36.132  10.829   2.040
  167   HE21  GLN  21          HE21      GLN  21  34.256  10.045   4.426
  168   HE22  GLN  21          HE22      GLN  21  33.100   8.949   3.664
  169    H    ASN  22           HN       ASN  22  41.051   9.587   3.070
  170    HA   ASN  22           HA       ASN  22  42.199   8.897   4.939
  171    HB2  ASN  22           HB2      ASN  22  41.549  10.124   7.023
  172    HB3  ASN  22           HB1      ASN  22  41.746  11.144   5.570
  173   HD21  ASN  22          HD21      ASN  22  39.734  11.884   4.455
  174   HD22  ASN  22          HD22      ASN  22  38.225  11.971   5.370
  175    H    HIS  23           HN       HIS  23  40.742   6.921   4.062
  176    HA   HIS  23           HA       HIS  23  38.800   5.766   5.760
  177    HB2  HIS  23           HB2      HIS  23  39.554   4.867   3.544
  178    HB3  HIS  23           HB1      HIS  23  41.040   4.282   4.329
  179    HD1  HIS  23           HD1      HIS  23  38.284   4.065   6.693
  180    HD2  HIS  23           HD2      HIS  23  39.771   1.653   3.586
  181    HE1  HIS  23           HE1      HIS  23  37.297   1.729   7.003
  182    H    HIS  24           HN       HIS  24  42.310   5.969   6.134
  183    HA   HIS  24           HA       HIS  24  42.087   5.367   8.974
  184    HB2  HIS  24           HB2      HIS  24  43.544   3.342   8.927
  185    HB3  HIS  24           HB1      HIS  24  41.957   3.065   8.167
  186    HD1  HIS  24           HD1      HIS  24  41.863   2.747   5.596
  187    HD2  HIS  24           HD2      HIS  24  45.741   3.286   7.125
  188    HE1  HIS  24           HE1      HIS  24  43.505   2.188   3.720
  Start of MODEL   94
    1    H1   PHE   1           HT1      PHE   1  54.194   5.574  10.285
    2    H2   PHE   1           HT2      PHE   1  52.977   6.171   9.259
    3    H3   PHE   1           HT3      PHE   1  54.583   6.694   9.074
    4    HA   PHE   1           HA       PHE   1  55.301   4.645   8.291
    5    HB2  PHE   1           HB2      PHE   1  53.923   3.334   9.940
    6    HB3  PHE   1           HB1      PHE   1  52.509   3.591   8.891
    7    HD1  PHE   1           HD1      PHE   1  52.177   2.254   6.930
    8    HD2  PHE   1           HD2      PHE   1  55.975   2.166   8.979
    9    HE1  PHE   1           HE1      PHE   1  52.900   0.338   5.510
   10    HE2  PHE   1           HE2      PHE   1  56.697   0.251   7.558
   11    HZ   PHE   1           HZ       PHE   1  55.136  -0.702   5.866
   12    H    LEU   2           HN       LEU   2  55.510   5.545   6.316
   13    HA   LEU   2           HA       LEU   2  53.491   6.745   4.783
   14    HB2  LEU   2           HB2      LEU   2  54.977   6.622   2.933
   15    HB3  LEU   2           HB1      LEU   2  56.017   6.717   4.368
   16    HG   LEU   2           HG       LEU   2  55.346   4.228   2.731
   17   HD11  LEU   2          HD11      LEU   2  57.803   4.186   2.406
   18   HD12  LEU   2          HD12      LEU   2  57.954   5.674   3.373
   19   HD13  LEU   2          HD13      LEU   2  57.098   5.709   1.813
   20   HD21  LEU   2          HD21      LEU   2  55.364   3.484   5.021
   21   HD22  LEU   2          HD22      LEU   2  56.732   4.548   5.429
   22   HD23  LEU   2          HD23      LEU   2  56.986   3.128   4.386
   23    H    GLY   3           HN       GLY   3  53.014   5.780   2.420
   24    HA2  GLY   3           HA1      GLY   3  52.341   2.948   2.401
   25    HA3  GLY   3           HA2      GLY   3  50.922   3.978   2.681
   26    H    ALA   4           HN       ALA   4  53.699   4.987   0.764
   27    HA   ALA   4           HA       ALA   4  52.588   4.190  -1.790
   28    HB1  ALA   4           HB1      ALA   4  50.992   6.020  -1.060
   29    HB2  ALA   4           HB2      ALA   4  51.813   6.299  -2.615
   30    HB3  ALA   4           HB3      ALA   4  52.366   7.146  -1.150
   31    H    LEU   5           HN       LEU   5  53.815   5.106  -3.618
   32    HA   LEU   5           HA       LEU   5  56.648   5.299  -2.882
   33    HB2  LEU   5           HB2      LEU   5  55.098   5.281  -5.493
   34    HB3  LEU   5           HB1      LEU   5  56.847   5.604  -5.459
   35    HG   LEU   5           HG       LEU   5  57.286   3.452  -4.409
   36   HD11  LEU   5          HD11      LEU   5  55.269   1.847  -4.136
   37   HD12  LEU   5          HD12      LEU   5  54.251   3.304  -4.228
   38   HD13  LEU   5          HD13      LEU   5  55.449   3.133  -2.921
   39   HD21  LEU   5          HD21      LEU   5  56.451   1.938  -6.199
   40   HD22  LEU   5          HD22      LEU   5  57.041   3.480  -6.867
   41   HD23  LEU   5          HD23      LEU   5  55.292   3.190  -6.706
   42    H    ILE   6           HN       ILE   6  56.313   7.307  -1.571
   43    HA   ILE   6           HA       ILE   6  56.463   9.639  -1.306
   44    HB   ILE   6           HB       ILE   6  57.682   9.805  -4.110
   45   HG12  ILE   6          HG12      ILE   6  58.965   8.529  -1.646
   46   HG13  ILE   6          HG11      ILE   6  58.602   7.720  -3.188
   47   HG21  ILE   6          HG21      ILE   6  58.719  10.954  -1.487
   48   HG22  ILE   6          HG22      ILE   6  57.420  11.761  -2.393
   49   HG23  ILE   6          HG23      ILE   6  59.011  11.525  -3.148
   50   HD11  ILE   6           HD1      ILE   6  60.655   9.894  -2.646
   51   HD12  ILE   6           HD2      ILE   6  60.109   9.499  -4.295
   52   HD13  ILE   6           HD3      ILE   6  60.922   8.264  -3.304
   53    H    LYS   7           HN       LYS   7  56.568  11.350  -3.957
   54    HA   LYS   7           HA       LYS   7  54.915  12.799  -4.750
   55    HB2  LYS   7           HB2      LYS   7  53.054  10.367  -4.698
   56    HB3  LYS   7           HB1      LYS   7  52.832  11.855  -5.651
   57    HG2  LYS   7           HG2      LYS   7  54.828  11.349  -6.980
   58    HG3  LYS   7           HG1      LYS   7  55.164   9.916  -5.978
   59    HD2  LYS   7           HD2      LYS   7  53.161   8.807  -6.738
   60    HD3  LYS   7           HD1      LYS   7  52.570  10.289  -7.530
   61    HE2  LYS   7           HE2      LYS   7  54.341  10.208  -9.175
   62    HE3  LYS   7           HE1      LYS   7  55.165   8.893  -8.303
   63    HZ1  LYS   7           HZ1      LYS   7  53.478   7.389  -8.852
   64    HZ2  LYS   7           HZ2      LYS   7  53.739   8.258 -10.288
   65    HZ3  LYS   7           HZ3      LYS   7  52.392   8.608  -9.313
   66    H    GLY   8           HN       GLY   8  55.620  11.965  -2.274
   67    HA2  GLY   8           HA1      GLY   8  55.158  11.733  -0.104
   68    HA3  GLY   8           HA2      GLY   8  54.551  13.421  -0.319
   69    H    ALA   9           HN       ALA   9  53.718  10.007  -0.241
   70    HA   ALA   9           HA       ALA   9  51.799   8.899   0.343
   71    HB1  ALA   9           HB1      ALA   9  50.362   9.854   1.977
   72    HB2  ALA   9           HB2      ALA   9  50.741  11.514   1.459
   73    HB3  ALA   9           HB3      ALA   9  51.970  10.540   2.303
   74    H    ILE  10           HN       ILE  10  51.623   8.967  -2.073
   75    HA   ILE  10           HA       ILE  10  50.281   9.090  -3.929
   76    HB   ILE  10           HB       ILE  10  48.275   9.548  -1.718
   77   HG12  ILE  10          HG12      ILE  10  49.069   7.299  -2.759
   78   HG13  ILE  10          HG11      ILE  10  47.331   7.528  -2.480
   79   HG21  ILE  10          HG21      ILE  10  47.730  10.363  -4.587
   80   HG22  ILE  10          HG22      ILE  10  47.321  11.215  -3.078
   81   HG23  ILE  10          HG23      ILE  10  46.434   9.747  -3.538
   82   HD11  ILE  10           HD1      ILE  10  48.540   8.244  -5.176
   83   HD12  ILE  10           HD2      ILE  10  46.866   7.800  -4.782
   84   HD13  ILE  10           HD3      ILE  10  48.137   6.557  -4.790
   85    H    HIS  11           HN       HIS  11  49.034  11.893  -2.050
   86    HA   HIS  11           HA       HIS  11  50.388  13.739  -3.962
   87    HB2  HIS  11           HB2      HIS  11  48.155  13.282  -4.957
   88    HB3  HIS  11           HB1      HIS  11  47.385  13.777  -3.430
   89    HD1  HIS  11           HD1      HIS  11  46.399  16.041  -3.804
   90    HD2  HIS  11           HD2      HIS  11  50.187  15.661  -5.588
   91    HE1  HIS  11           HE1      HIS  11  47.031  18.330  -4.744
   92    H    GLY  12           HN       GLY  12  49.588  12.743  -0.938
   93    HA2  GLY  12           HA1      GLY  12  50.327  13.817   1.051
   94    HA3  GLY  12           HA2      GLY  12  50.316  15.388   0.227
   95    H    GLY  13           HN       GLY  13  48.211  12.800   1.498
   96    HA2  GLY  13           HA1      GLY  13  46.030  12.901   2.288
   97    HA3  GLY  13           HA2      GLY  13  46.581  14.394   3.072
   98    H    ARG  14           HN       ARG  14  45.192  13.054   0.073
   99    HA   ARG  14           HA       ARG  14  43.460  15.441  -0.148
  100    HB2  ARG  14           HB2      ARG  14  45.814  15.785  -1.352
  101    HB3  ARG  14           HB1      ARG  14  45.090  14.770  -2.615
  102    HG2  ARG  14           HG2      ARG  14  43.998  17.404  -1.522
  103    HG3  ARG  14           HG1      ARG  14  44.670  17.118  -3.143
  104    HD2  ARG  14           HD2      ARG  14  42.073  16.054  -1.974
  105    HD3  ARG  14           HD1      ARG  14  42.295  17.073  -3.413
  106    HE   ARG  14           HE       ARG  14  43.653  14.507  -3.666
  107   HH11  ARG  14          HH11      ARG  14  40.785  13.871  -2.932
  108   HH12  ARG  14          HH12      ARG  14  40.040  13.792  -4.494
  109   HH21  ARG  14          HH21      ARG  14  42.645  15.409  -6.112
  110   HH22  ARG  14          HH22      ARG  14  41.093  14.662  -6.294
  111    H    PHE  15           HN       PHE  15  44.710  12.642  -2.034
  112    HA   PHE  15           HA       PHE  15  42.307  12.114  -3.439
  113    HB2  PHE  15           HB2      PHE  15  44.518  11.085  -3.935
  114    HB3  PHE  15           HB1      PHE  15  44.357  10.090  -2.467
  115    HD1  PHE  15           HD1      PHE  15  43.104  10.683  -5.898
  116    HD2  PHE  15           HD2      PHE  15  42.681   8.296  -2.328
  117    HE1  PHE  15           HE1      PHE  15  41.740   9.028  -7.166
  118    HE2  PHE  15           HE2      PHE  15  41.316   6.640  -3.595
  119    HZ   PHE  15           HZ       PHE  15  40.832   7.016  -6.011
  120    H    ILE  16           HN       ILE  16  43.117  11.570  -0.091
  121    HA   ILE  16           HA       ILE  16  41.275   9.412   0.393
  122    HB   ILE  16           HB       ILE  16  42.028  11.539   2.439
  123   HG12  ILE  16          HG12      ILE  16  43.638   9.141   1.451
  124   HG13  ILE  16          HG11      ILE  16  44.087  10.854   1.291
  125   HG21  ILE  16          HG21      ILE  16  41.697   9.760   4.027
  126   HG22  ILE  16          HG22      ILE  16  41.635   8.533   2.740
  127   HG23  ILE  16          HG23      ILE  16  40.304   9.700   2.924
  128   HD11  ILE  16           HD1      ILE  16  43.965   9.154   3.803
  129   HD12  ILE  16           HD2      ILE  16  43.901  10.931   3.895
  130   HD13  ILE  16           HD3      ILE  16  45.318  10.126   3.181
  131    H    HIS  17           HN       HIS  17  40.865  12.741   1.728
  132    HA   HIS  17           HA       HIS  17  38.183  12.942   0.508
  133    HB2  HIS  17           HB2      HIS  17  37.831  11.493   2.541
  134    HB3  HIS  17           HB1      HIS  17  38.460  12.826   3.540
  135    HD1  HIS  17           HD1      HIS  17  35.805  12.403   0.773
  136    HD2  HIS  17           HD2      HIS  17  36.452  14.536   4.339
  137    HE1  HIS  17           HE1      HIS  17  33.684  13.744   1.254
  138    H    GLY  18           HN       GLY  18  40.689  14.376   0.381
  139    HA2  GLY  18           HA1      GLY  18  41.193  16.654   0.230
  140    HA3  GLY  18           HA2      GLY  18  39.677  17.036   1.033
  141    H    MET  19           HN       MET  19  42.804  15.584   1.547
  142    HA   MET  19           HA       MET  19  43.981  15.460   3.487
  143    HB2  MET  19           HB2      MET  19  44.296  17.811   2.425
  144    HB3  MET  19           HB1      MET  19  43.498  18.346   3.919
  145    HG2  MET  19           HG2      MET  19  45.255  17.282   5.275
  146    HG3  MET  19           HG1      MET  19  46.017  16.618   3.812
  147    HE1  MET  19           HE1      MET  19  48.431  17.755   4.126
  148    HE2  MET  19           HE2      MET  19  47.667  17.924   5.724
  149    HE3  MET  19           HE3      MET  19  48.534  19.302   5.002
  150    H    ILE  20           HN       ILE  20  40.984  15.257   3.865
  151    HA   ILE  20           HA       ILE  20  39.567  15.145   5.703
  152    HB   ILE  20           HB       ILE  20  42.238  14.828   7.172
  153   HG12  ILE  20          HG12      ILE  20  41.507  12.500   7.395
  154   HG13  ILE  20          HG11      ILE  20  39.946  12.887   6.637
  155   HG21  ILE  20          HG21      ILE  20  40.662  14.015   9.084
  156   HG22  ILE  20          HG22      ILE  20  39.399  14.949   8.249
  157   HG23  ILE  20          HG23      ILE  20  40.857  15.767   8.860
  158   HD11  ILE  20           HD1      ILE  20  42.545  13.455   5.169
  159   HD12  ILE  20           HD2      ILE  20  40.914  13.199   4.502
  160   HD13  ILE  20           HD3      ILE  20  41.834  11.826   5.156
  161    H    GLN  21           HN       GLN  21  41.780  17.485   4.925
  162    HA   GLN  21           HA       GLN  21  40.442  19.525   6.730
  163    HB2  GLN  21           HB2      GLN  21  42.753  18.892   7.539
  164    HB3  GLN  21           HB1      GLN  21  43.391  19.509   5.996
  165    HG2  GLN  21           HG2      GLN  21  42.412  21.727   6.457
  166    HG3  GLN  21           HG1      GLN  21  41.726  21.118   7.983
  167   HE21  GLN  21          HE21      GLN  21  44.983  20.947   6.350
  168   HE22  GLN  21          HE22      GLN  21  45.876  21.421   7.798
  169    H    ASN  22           HN       ASN  22  41.729  18.603   3.535
  170    HA   ASN  22           HA       ASN  22  41.485  21.398   2.553
  171    HB2  ASN  22           HB2      ASN  22  43.208  19.769   1.646
  172    HB3  ASN  22           HB1      ASN  22  41.864  18.811   0.980
  173   HD21  ASN  22          HD21      ASN  22  44.117  20.673  -0.247
  174   HD22  ASN  22          HD22      ASN  22  43.193  21.666  -1.379
  175    H    HIS  23           HN       HIS  23  39.919  18.268   2.620
  176    HA   HIS  23           HA       HIS  23  37.700  17.668   2.157
  177    HB2  HIS  23           HB2      HIS  23  37.006  20.627   2.191
  178    HB3  HIS  23           HB1      HIS  23  35.950  19.245   2.563
  179    HD1  HIS  23           HD1      HIS  23  37.129  21.802   4.427
  180    HD2  HIS  23           HD2      HIS  23  38.028  17.703   4.682
  181    HE1  HIS  23           HE1      HIS  23  37.910  21.341   6.816
  182    H    HIS  24           HN       HIS  24  35.718  18.338   0.617
  183    HA   HIS  24           HA       HIS  24  36.811  18.141  -2.056
  184    HB2  HIS  24           HB2      HIS  24  34.422  18.246  -2.756
  185    HB3  HIS  24           HB1      HIS  24  34.701  17.057  -1.462
  186    HD1  HIS  24           HD1      HIS  24  35.038  19.949   0.416
  187    HD2  HIS  24           HD2      HIS  24  31.696  18.283  -1.519
  188    HE1  HIS  24           HE1      HIS  24  32.953  20.867   1.573
  Start of MODEL   95
    1    H1   PHE   1           HT1      PHE   1  57.707   7.066 -13.705
    2    H2   PHE   1           HT2      PHE   1  57.383   5.403 -13.831
    3    H3   PHE   1           HT3      PHE   1  58.767   5.942 -13.008
    4    HA   PHE   1           HA       PHE   1  56.926   7.241 -11.656
    5    HB2  PHE   1           HB2      PHE   1  55.670   4.586 -12.453
    6    HB3  PHE   1           HB1      PHE   1  55.014   5.765 -11.292
    7    HD1  PHE   1           HD1      PHE   1  55.618   5.016 -14.860
    8    HD2  PHE   1           HD2      PHE   1  54.118   7.933 -12.054
    9    HE1  PHE   1           HE1      PHE   1  54.523   6.250 -16.728
   10    HE2  PHE   1           HE2      PHE   1  53.023   9.167 -13.922
   11    HZ   PHE   1           HZ       PHE   1  53.204   8.310 -16.256
   12    H    LEU   2           HN       LEU   2  57.577   6.989  -9.619
   13    HA   LEU   2           HA       LEU   2  59.486   4.911  -8.963
   14    HB2  LEU   2           HB2      LEU   2  58.032   7.045  -7.361
   15    HB3  LEU   2           HB1      LEU   2  59.110   5.867  -6.577
   16    HG   LEU   2           HG       LEU   2  60.972   6.575  -8.039
   17   HD11  LEU   2          HD11      LEU   2  58.817   8.356  -9.239
   18   HD12  LEU   2          HD12      LEU   2  59.946   7.259 -10.071
   19   HD13  LEU   2          HD13      LEU   2  60.541   8.779  -9.365
   20   HD21  LEU   2          HD21      LEU   2  60.578   7.733  -5.874
   21   HD22  LEU   2          HD22      LEU   2  59.543   8.920  -6.704
   22   HD23  LEU   2          HD23      LEU   2  61.281   8.835  -7.082
   23    H    GLY   3           HN       GLY   3  59.144   3.694  -6.772
   24    HA2  GLY   3           HA1      GLY   3  56.946   1.851  -7.249
   25    HA3  GLY   3           HA2      GLY   3  58.117   1.791  -5.918
   26    H    ALA   4           HN       ALA   4  56.031   4.541  -6.741
   27    HA   ALA   4           HA       ALA   4  54.432   5.632  -5.466
   28    HB1  ALA   4           HB1      ALA   4  52.686   4.293  -4.520
   29    HB2  ALA   4           HB2      ALA   4  53.765   2.885  -4.369
   30    HB3  ALA   4           HB3      ALA   4  53.256   3.450  -5.979
   31    H    LEU   5           HN       LEU   5  53.365   4.946  -2.896
   32    HA   LEU   5           HA       LEU   5  53.841   5.409  -0.674
   33    HB2  LEU   5           HB2      LEU   5  56.541   4.096  -1.128
   34    HB3  LEU   5           HB1      LEU   5  55.557   4.126   0.355
   35    HG   LEU   5           HG       LEU   5  54.877   2.685  -2.247
   36   HD11  LEU   5          HD11      LEU   5  56.645   1.670  -0.742
   37   HD12  LEU   5          HD12      LEU   5  55.197   0.656  -0.953
   38   HD13  LEU   5          HD13      LEU   5  55.419   1.590   0.546
   39   HD21  LEU   5          HD21      LEU   5  52.977   1.757  -0.741
   40   HD22  LEU   5          HD22      LEU   5  52.787   3.416  -1.349
   41   HD23  LEU   5          HD23      LEU   5  53.314   3.138   0.329
   42    H    ILE   6           HN       ILE   6  54.821   7.207  -2.934
   43    HA   ILE   6           HA       ILE   6  56.339   9.037  -1.132
   44    HB   ILE   6           HB       ILE   6  57.943   7.461  -2.618
   45   HG12  ILE   6          HG12      ILE   6  58.315  10.489  -2.439
   46   HG13  ILE   6          HG11      ILE   6  58.704   9.304  -1.177
   47   HG21  ILE   6          HG21      ILE   6  58.287   7.971  -4.853
   48   HG22  ILE   6          HG22      ILE   6  57.759   9.656  -4.683
   49   HG23  ILE   6          HG23      ILE   6  56.555   8.348  -4.751
   50   HD11  ILE   6           HD1      ILE   6  60.764   9.770  -2.318
   51   HD12  ILE   6           HD2      ILE   6  59.997   9.599  -3.915
   52   HD13  ILE   6           HD3      ILE   6  60.234   8.169  -2.881
   53    H    LYS   7           HN       LYS   7  57.036  10.780  -3.493
   54    HA   LYS   7           HA       LYS   7  55.942  12.691  -4.251
   55    HB2  LYS   7           HB2      LYS   7  53.661  10.710  -4.777
   56    HB3  LYS   7           HB1      LYS   7  53.658  12.407  -5.309
   57    HG2  LYS   7           HG2      LYS   7  55.539  12.052  -6.764
   58    HG3  LYS   7           HG1      LYS   7  55.862  10.448  -6.064
   59    HD2  LYS   7           HD2      LYS   7  54.730  10.195  -8.230
   60    HD3  LYS   7           HD1      LYS   7  53.656   9.652  -6.921
   61    HE2  LYS   7           HE2      LYS   7  52.301  11.595  -7.063
   62    HE3  LYS   7           HE1      LYS   7  53.540  12.508  -7.960
   63    HZ1  LYS   7           HZ1      LYS   7  53.153  10.441  -9.595
   64    HZ2  LYS   7           HZ2      LYS   7  52.285  11.897  -9.706
   65    HZ3  LYS   7           HZ3      LYS   7  51.603  10.557  -8.916
   66    H    GLY   8           HN       GLY   8  56.089  11.464  -1.843
   67    HA2  GLY   8           HA1      GLY   8  55.360  11.205   0.236
   68    HA3  GLY   8           HA2      GLY   8  55.147  12.997   0.145
   69    H    ALA   9           HN       ALA   9  53.563   9.916  -0.634
   70    HA   ALA   9           HA       ALA   9  51.415   9.180  -0.275
   71    HB1  ALA   9           HB1      ALA   9  51.656  10.647   1.879
   72    HB2  ALA   9           HB2      ALA   9  50.028  10.172   1.341
   73    HB3  ALA   9           HB3      ALA   9  50.630  11.812   1.011
   74    H    ILE  10           HN       ILE  10  51.583   9.442  -2.623
   75    HA   ILE  10           HA       ILE  10  51.001  10.409  -4.661
   76    HB   ILE  10           HB       ILE  10  48.458  10.588  -4.926
   77   HG12  ILE  10          HG12      ILE  10  48.184  11.065  -2.353
   78   HG13  ILE  10          HG11      ILE  10  46.986  10.068  -3.174
   79   HG21  ILE  10          HG21      ILE  10  49.398   8.565  -5.628
   80   HG22  ILE  10          HG22      ILE  10  48.201   8.026  -4.431
   81   HG23  ILE  10          HG23      ILE  10  49.926   8.107  -3.996
   82   HD11  ILE  10           HD1      ILE  10  47.996   9.274  -0.851
   83   HD12  ILE  10           HD2      ILE  10  49.339   8.694  -1.851
   84   HD13  ILE  10           HD3      ILE  10  47.699   8.089  -2.140
   85    H    HIS  11           HN       HIS  11  48.198  12.156  -4.091
   86    HA   HIS  11           HA       HIS  11  49.653  14.665  -4.606
   87    HB2  HIS  11           HB2      HIS  11  47.462  14.124  -5.687
   88    HB3  HIS  11           HB1      HIS  11  46.686  14.225  -4.087
   89    HD1  HIS  11           HD1      HIS  11  45.353  16.364  -4.309
   90    HD2  HIS  11           HD2      HIS  11  49.337  16.814  -5.572
   91    HE1  HIS  11           HE1      HIS  11  45.756  18.858  -4.693
   92    H    GLY  12           HN       GLY  12  50.302  13.417  -2.097
   93    HA2  GLY  12           HA1      GLY  12  50.704  14.190   0.057
   94    HA3  GLY  12           HA2      GLY  12  49.916  15.721  -0.376
   95    H    GLY  13           HN       GLY  13  48.427  12.537  -0.712
   96    HA2  GLY  13           HA1      GLY  13  46.683  11.548   0.459
   97    HA3  GLY  13           HA2      GLY  13  47.009  12.651   1.813
   98    H    ARG  14           HN       ARG  14  46.116  13.283  -1.600
   99    HA   ARG  14           HA       ARG  14  43.485  14.363  -0.679
  100    HB2  ARG  14           HB2      ARG  14  45.612  15.926  -2.191
  101    HB3  ARG  14           HB1      ARG  14  43.901  16.401  -2.159
  102    HG2  ARG  14           HG2      ARG  14  45.643  16.021   0.321
  103    HG3  ARG  14           HG1      ARG  14  45.282  17.586  -0.431
  104    HD2  ARG  14           HD2      ARG  14  42.736  16.731  -0.139
  105    HD3  ARG  14           HD1      ARG  14  43.476  15.785   1.175
  106    HE   ARG  14           HE       ARG  14  43.759  17.799   2.369
  107   HH11  ARG  14          HH11      ARG  14  41.452  18.927   0.813
  108   HH12  ARG  14          HH12      ARG  14  42.118  20.403   0.200
  109   HH21  ARG  14          HH21      ARG  14  45.406  19.480   0.806
  110   HH22  ARG  14          HH22      ARG  14  44.357  20.717   0.196
  111    H    PHE  15           HN       PHE  15  45.425  12.665  -2.917
  112    HA   PHE  15           HA       PHE  15  43.682  13.089  -5.243
  113    HB2  PHE  15           HB2      PHE  15  46.155  12.220  -5.211
  114    HB3  PHE  15           HB1      PHE  15  45.442  10.643  -4.825
  115    HD1  PHE  15           HD1      PHE  15  45.692  13.328  -7.375
  116    HD2  PHE  15           HD2      PHE  15  44.104   9.420  -6.460
  117    HE1  PHE  15           HE1      PHE  15  45.154  12.982  -9.783
  118    HE2  PHE  15           HE2      PHE  15  43.565   9.076  -8.868
  119    HZ   PHE  15           HZ       PHE  15  44.083  10.859 -10.528
  120    H    ILE  16           HN       ILE  16  44.044  10.788  -2.617
  121    HA   ILE  16           HA       ILE  16  41.247  10.025  -2.754
  122    HB   ILE  16           HB       ILE  16  42.025   8.544  -4.534
  123   HG12  ILE  16          HG12      ILE  16  41.708   6.952  -1.947
  124   HG13  ILE  16          HG11      ILE  16  40.370   7.703  -2.845
  125   HG21  ILE  16          HG21      ILE  16  43.917   7.168  -4.448
  126   HG22  ILE  16          HG22      ILE  16  43.948   7.115  -2.674
  127   HG23  ILE  16          HG23      ILE  16  44.489   8.578  -3.530
  128   HD11  ILE  16           HD1      ILE  16  42.264   5.535  -3.844
  129   HD12  ILE  16           HD2      ILE  16  41.091   6.386  -4.878
  130   HD13  ILE  16           HD3      ILE  16  40.520   5.377  -3.527
  131    H    HIS  17           HN       HIS  17  41.569  11.051  -0.720
  132    HA   HIS  17           HA       HIS  17  42.168   9.108   1.389
  133    HB2  HIS  17           HB2      HIS  17  44.459   9.998   0.753
  134    HB3  HIS  17           HB1      HIS  17  43.897  11.609   1.258
  135    HD1  HIS  17           HD1      HIS  17  42.517   8.757   3.207
  136    HD2  HIS  17           HD2      HIS  17  45.838  11.326   3.453
  137    HE1  HIS  17           HE1      HIS  17  43.461   8.557   5.573
  138    H    GLY  18           HN       GLY  18  41.936  12.642   0.668
  139    HA2  GLY  18           HA1      GLY  18  40.584  13.290   3.125
  140    HA3  GLY  18           HA2      GLY  18  40.512  14.231   1.609
  141    H    MET  19           HN       MET  19  39.394  12.999  -0.174
  142    HA   MET  19           HA       MET  19  37.537  11.108   0.036
  143    HB2  MET  19           HB2      MET  19  36.501  13.342   1.602
  144    HB3  MET  19           HB1      MET  19  35.414  12.982   0.247
  145    HG2  MET  19           HG2      MET  19  35.201  10.668   0.958
  146    HG3  MET  19           HG1      MET  19  36.450  10.887   2.206
  147    HE1  MET  19           HE1      MET  19  34.842   9.895   4.000
  148    HE2  MET  19           HE2      MET  19  33.639   9.656   2.710
  149    HE3  MET  19           HE3      MET  19  33.161  10.428   4.241
  150    H    ILE  20           HN       ILE  20  38.498  10.953  -1.932
  151    HA   ILE  20           HA       ILE  20  38.521  11.259  -4.232
  152    HB   ILE  20           HB       ILE  20  35.941  12.878  -4.050
  153   HG12  ILE  20          HG12      ILE  20  36.279   9.847  -3.830
  154   HG13  ILE  20          HG11      ILE  20  35.556  10.928  -2.619
  155   HG21  ILE  20          HG21      ILE  20  37.264  12.453  -6.246
  156   HG22  ILE  20          HG22      ILE  20  35.538  12.038  -6.252
  157   HG23  ILE  20          HG23      ILE  20  36.762  10.757  -6.081
  158   HD11  ILE  20           HD1      ILE  20  34.457  10.140  -5.336
  159   HD12  ILE  20           HD2      ILE  20  33.863  11.580  -4.473
  160   HD13  ILE  20           HD3      ILE  20  33.694   9.968  -3.738
  161    H    GLN  21           HN       GLN  21  39.204  13.121  -1.991
  162    HA   GLN  21           HA       GLN  21  40.730  14.983  -2.103
  163    HB2  GLN  21           HB2      GLN  21  40.512  14.981  -4.727
  164    HB3  GLN  21           HB1      GLN  21  39.198  16.153  -4.469
  165    HG2  GLN  21           HG2      GLN  21  40.870  17.478  -3.021
  166    HG3  GLN  21           HG1      GLN  21  42.128  16.425  -3.708
  167   HE21  GLN  21          HE21      GLN  21  42.826  18.737  -4.540
  168   HE22  GLN  21          HE22      GLN  21  42.162  19.199  -6.111
  169    H    ASN  22           HN       ASN  22  38.281  14.237  -0.915
  170    HA   ASN  22           HA       ASN  22  36.437  15.088   0.172
  171    HB2  ASN  22           HB2      ASN  22  38.195  15.810   1.616
  172    HB3  ASN  22           HB1      ASN  22  38.474  17.277   0.630
  173   HD21  ASN  22          HD21      ASN  22  35.284  15.838   1.529
  174   HD22  ASN  22          HD22      ASN  22  34.747  17.238   2.461
  175    H    HIS  23           HN       HIS  23  36.104  15.239  -2.399
  176    HA   HIS  23           HA       HIS  23  35.389  17.972  -3.243
  177    HB2  HIS  23           HB2      HIS  23  36.141  16.204  -4.834
  178    HB3  HIS  23           HB1      HIS  23  34.659  15.286  -4.475
  179    HD1  HIS  23           HD1      HIS  23  32.960  15.621  -6.258
  180    HD2  HIS  23           HD2      HIS  23  35.210  19.108  -5.563
  181    HE1  HIS  23           HE1      HIS  23  32.041  17.441  -7.798
  182    H    HIS  24           HN       HIS  24  34.022  15.852  -1.081
  183    HA   HIS  24           HA       HIS  24  31.517  17.327  -1.048
  184    HB2  HIS  24           HB2      HIS  24  31.060  15.788  -2.945
  185    HB3  HIS  24           HB1      HIS  24  31.400  14.401  -1.882
  186    HD1  HIS  24           HD1      HIS  24  29.436  13.456  -0.670
  187    HD2  HIS  24           HD2      HIS  24  28.821  17.462  -1.797
  188    HE1  HIS  24           HE1      HIS  24  27.052  14.079   0.007
  Start of MODEL   96
    1    H1   PHE   1           HT1      PHE   1  50.502   0.270  -6.253
    2    H2   PHE   1           HT2      PHE   1  50.169   1.632  -7.213
    3    H3   PHE   1           HT3      PHE   1  48.984   1.017  -6.162
    4    HA   PHE   1           HA       PHE   1  49.714   2.763  -4.964
    5    HB2  PHE   1           HB2      PHE   1  51.665   0.543  -4.229
    6    HB3  PHE   1           HB1      PHE   1  51.144   1.885  -3.181
    7    HD1  PHE   1           HD1      PHE   1  48.831   1.992  -2.314
    8    HD2  PHE   1           HD2      PHE   1  50.177  -1.328  -4.720
    9    HE1  PHE   1           HE1      PHE   1  46.839   0.672  -1.607
   10    HE2  PHE   1           HE2      PHE   1  48.186  -2.649  -4.013
   11    HZ   PHE   1           HZ       PHE   1  46.559  -1.676  -2.394
   12    H    LEU   2           HN       LEU   2  51.123   2.644  -7.628
   13    HA   LEU   2           HA       LEU   2  52.963   3.627  -8.647
   14    HB2  LEU   2           HB2      LEU   2  52.618   5.304  -6.143
   15    HB3  LEU   2           HB1      LEU   2  53.872   5.687  -7.338
   16    HG   LEU   2           HG       LEU   2  51.640   6.925  -7.587
   17   HD11  LEU   2          HD11      LEU   2  53.406   6.503  -9.454
   18   HD12  LEU   2          HD12      LEU   2  51.773   6.996  -9.947
   19   HD13  LEU   2          HD13      LEU   2  52.261   5.295 -10.080
   20   HD21  LEU   2          HD21      LEU   2  50.669   4.262  -8.714
   21   HD22  LEU   2          HD22      LEU   2  49.744   5.770  -8.524
   22   HD23  LEU   2          HD23      LEU   2  50.256   4.854  -7.087
   23    H    GLY   3           HN       GLY   3  53.287   1.495  -6.369
   24    HA2  GLY   3           HA1      GLY   3  55.120   0.250  -5.684
   25    HA3  GLY   3           HA2      GLY   3  56.163   1.304  -6.659
   26    H    ALA   4           HN       ALA   4  56.823   3.370  -5.764
   27    HA   ALA   4           HA       ALA   4  57.516   3.069  -2.928
   28    HB1  ALA   4           HB1      ALA   4  58.019   5.322  -4.906
   29    HB2  ALA   4           HB2      ALA   4  59.128   3.981  -4.528
   30    HB3  ALA   4           HB3      ALA   4  58.736   5.190  -3.283
   31    H    LEU   5           HN       LEU   5  56.669   4.074  -1.197
   32    HA   LEU   5           HA       LEU   5  54.093   5.436  -1.546
   33    HB2  LEU   5           HB2      LEU   5  55.684   5.203   1.031
   34    HB3  LEU   5           HB1      LEU   5  53.922   5.334   0.822
   35    HG   LEU   5           HG       LEU   5  55.667   2.972  -0.009
   36   HD11  LEU   5          HD11      LEU   5  53.464   3.165   2.088
   37   HD12  LEU   5          HD12      LEU   5  55.201   3.278   2.458
   38   HD13  LEU   5          HD13      LEU   5  54.532   1.777   1.774
   39   HD21  LEU   5          HD21      LEU   5  53.324   1.928  -0.392
   40   HD22  LEU   5          HD22      LEU   5  53.890   3.093  -1.610
   41   HD23  LEU   5          HD23      LEU   5  52.707   3.598  -0.380
   42    H    ILE   6           HN       ILE   6  55.167   7.146  -2.935
   43    HA   ILE   6           HA       ILE   6  55.793   9.495  -1.140
   44    HB   ILE   6           HB       ILE   6  57.638  10.201  -2.672
   45   HG12  ILE   6          HG12      ILE   6  57.339   7.415  -3.898
   46   HG13  ILE   6          HG11      ILE   6  56.845   8.924  -4.695
   47   HG21  ILE   6          HG21      ILE   6  59.319   8.756  -1.771
   48   HG22  ILE   6          HG22      ILE   6  58.195   7.378  -1.685
   49   HG23  ILE   6          HG23      ILE   6  57.998   8.759  -0.581
   50   HD11  ILE   6           HD1      ILE   6  59.645   7.994  -3.980
   51   HD12  ILE   6           HD2      ILE   6  59.295   9.711  -4.299
   52   HD13  ILE   6           HD3      ILE   6  59.011   8.493  -5.564
   53    H    LYS   7           HN       LYS   7  56.535  10.941  -3.781
   54    HA   LYS   7           HA       LYS   7  55.250  12.496  -4.947
   55    HB2  LYS   7           HB2      LYS   7  53.409  10.066  -5.238
   56    HB3  LYS   7           HB1      LYS   7  53.060  11.639  -5.992
   57    HG2  LYS   7           HG2      LYS   7  55.122  11.545  -7.281
   58    HG3  LYS   7           HG1      LYS   7  55.630  10.063  -6.434
   59    HD2  LYS   7           HD2      LYS   7  53.765   8.814  -7.383
   60    HD3  LYS   7           HD1      LYS   7  53.096  10.294  -8.113
   61    HE2  LYS   7           HE2      LYS   7  55.856   9.176  -8.763
   62    HE3  LYS   7           HE1      LYS   7  54.398   8.854  -9.732
   63    HZ1  LYS   7           HZ1      LYS   7  54.161  11.172 -10.175
   64    HZ2  LYS   7           HZ2      LYS   7  55.765  10.746 -10.537
   65    HZ3  LYS   7           HZ3      LYS   7  55.408  11.581  -9.101
   66    H    GLY   8           HN       GLY   8  55.364  11.765  -2.344
   67    HA2  GLY   8           HA1      GLY   8  54.488  11.757  -0.302
   68    HA3  GLY   8           HA2      GLY   8  54.078  13.461  -0.733
   69    H    ALA   9           HN       ALA   9  52.966  10.143  -0.487
   70    HA   ALA   9           HA       ALA   9  50.865   9.220  -0.332
   71    HB1  ALA   9           HB1      ALA   9  49.208  10.467   0.964
   72    HB2  ALA   9           HB2      ALA   9  50.122  11.974   0.715
   73    HB3  ALA   9           HB3      ALA   9  50.824  10.656   1.684
   74    H    ILE  10           HN       ILE  10  51.502  10.053  -2.867
   75    HA   ILE  10           HA       ILE  10  50.463  10.275  -4.901
   76    HB   ILE  10           HB       ILE  10  48.270   9.535  -3.202
   77   HG12  ILE  10          HG12      ILE  10  49.058   8.416  -5.308
   78   HG13  ILE  10          HG11      ILE  10  47.295   8.608  -5.210
   79   HG21  ILE  10          HG21      ILE  10  47.414  11.844  -3.303
   80   HG22  ILE  10          HG22      ILE  10  46.337  10.699  -4.132
   81   HG23  ILE  10          HG23      ILE  10  47.390  11.770  -5.080
   82   HD11  ILE  10           HD1      ILE  10  47.240  10.252  -6.884
   83   HD12  ILE  10           HD2      ILE  10  48.586   9.237  -7.453
   84   HD13  ILE  10           HD3      ILE  10  48.921  10.760  -6.597
   85    H    HIS  11           HN       HIS  11  49.430  12.554  -2.383
   86    HA   HIS  11           HA       HIS  11  50.447  14.825  -3.824
   87    HB2  HIS  11           HB2      HIS  11  48.426  14.433  -5.225
   88    HB3  HIS  11           HB1      HIS  11  47.411  14.538  -3.767
   89    HD1  HIS  11           HD1      HIS  11  50.204  16.689  -5.338
   90    HD2  HIS  11           HD2      HIS  11  46.410  17.093  -3.571
   91    HE1  HIS  11           HE1      HIS  11  49.653  19.181  -5.283
   92    H    GLY  12           HN       GLY  12  49.523  13.174  -1.194
   93    HA2  GLY  12           HA1      GLY  12  50.185  14.333   0.952
   94    HA3  GLY  12           HA2      GLY  12  49.070  15.635   0.488
   95    H    GLY  13           HN       GLY  13  48.160  12.439  -0.422
   96    HA2  GLY  13           HA1      GLY  13  46.440  11.073   0.299
   97    HA3  GLY  13           HA2      GLY  13  46.873  11.554   1.954
   98    H    ARG  14           HN       ARG  14  45.239  12.832  -0.975
   99    HA   ARG  14           HA       ARG  14  42.836  13.416   0.543
  100    HB2  ARG  14           HB2      ARG  14  42.891  15.802   0.625
  101    HB3  ARG  14           HB1      ARG  14  44.422  15.237   1.318
  102    HG2  ARG  14           HG2      ARG  14  45.088  16.983  -0.138
  103    HG3  ARG  14           HG1      ARG  14  45.420  15.503  -1.062
  104    HD2  ARG  14           HD2      ARG  14  43.909  16.087  -2.697
  105    HD3  ARG  14           HD1      ARG  14  42.665  16.552  -1.518
  106    HE   ARG  14           HE       ARG  14  44.722  18.541  -1.508
  107   HH11  ARG  14          HH11      ARG  14  41.906  17.392  -3.094
  108   HH12  ARG  14          HH12      ARG  14  41.749  18.779  -4.121
  109   HH21  ARG  14          HH21      ARG  14  44.671  20.271  -3.000
  110   HH22  ARG  14          HH22      ARG  14  43.315  20.408  -4.069
  111    H    PHE  15           HN       PHE  15  44.689  13.211  -2.319
  112    HA   PHE  15           HA       PHE  15  42.724  14.469  -4.087
  113    HB2  PHE  15           HB2      PHE  15  45.172  14.188  -4.641
  114    HB3  PHE  15           HB1      PHE  15  44.885  12.439  -4.782
  115    HD1  PHE  15           HD1      PHE  15  44.324  11.587  -6.918
  116    HD2  PHE  15           HD2      PHE  15  43.426  15.707  -5.985
  117    HE1  PHE  15           HE1      PHE  15  43.498  11.935  -9.241
  118    HE2  PHE  15           HE2      PHE  15  42.599  16.050  -8.309
  119    HZ   PHE  15           HZ       PHE  15  42.676  14.176  -9.948
  120    H    ILE  16           HN       ILE  16  43.300  11.397  -2.616
  121    HA   ILE  16           HA       ILE  16  40.666  10.415  -3.454
  122    HB   ILE  16           HB       ILE  16  41.661   8.191  -4.242
  123   HG12  ILE  16          HG12      ILE  16  44.158   9.911  -4.600
  124   HG13  ILE  16          HG11      ILE  16  43.961   8.693  -3.321
  125   HG21  ILE  16          HG21      ILE  16  40.710  10.014  -5.761
  126   HG22  ILE  16          HG22      ILE  16  41.883   8.923  -6.528
  127   HG23  ILE  16          HG23      ILE  16  42.384  10.554  -6.025
  128   HD11  ILE  16           HD1      ILE  16  43.438   7.029  -5.257
  129   HD12  ILE  16           HD2      ILE  16  45.127   7.543  -5.039
  130   HD13  ILE  16           HD3      ILE  16  44.138   8.271  -6.324
  131    H    HIS  17           HN       HIS  17  41.361  11.220  -1.035
  132    HA   HIS  17           HA       HIS  17  41.601   8.649   0.490
  133    HB2  HIS  17           HB2      HIS  17  43.854   9.812   0.424
  134    HB3  HIS  17           HB1      HIS  17  43.096  11.187   1.259
  135    HD1  HIS  17           HD1      HIS  17  41.416   8.238   2.445
  136    HD2  HIS  17           HD2      HIS  17  45.065  10.129   3.342
  137    HE1  HIS  17           HE1      HIS  17  42.203   7.344   4.705
  138    H    GLY  18           HN       GLY  18  40.484  11.947   0.077
  139    HA2  GLY  18           HA1      GLY  18  39.344  12.581   2.548
  140    HA3  GLY  18           HA2      GLY  18  38.564  12.926   0.977
  141    H    MET  19           HN       MET  19  38.202  10.503   0.011
  142    HA   MET  19           HA       MET  19  36.933   8.595   1.601
  143    HB2  MET  19           HB2      MET  19  35.323  10.655   1.894
  144    HB3  MET  19           HB1      MET  19  34.835  10.247   0.238
  145    HG2  MET  19           HG2      MET  19  33.306   9.054   1.609
  146    HG3  MET  19           HG1      MET  19  34.507   7.825   1.149
  147    HE1  MET  19           HE1      MET  19  33.261   7.171   4.859
  148    HE2  MET  19           HE2      MET  19  33.672   6.303   3.360
  149    HE3  MET  19           HE3      MET  19  32.476   7.621   3.326
  150    H    ILE  20           HN       ILE  20  38.530   9.532  -0.803
  151    HA   ILE  20           HA       ILE  20  38.839   8.721  -2.949
  152    HB   ILE  20           HB       ILE  20  36.668   6.616  -2.499
  153   HG12  ILE  20          HG12      ILE  20  38.050   6.334  -0.557
  154   HG13  ILE  20          HG11      ILE  20  38.578   5.098  -1.713
  155   HG21  ILE  20          HG21      ILE  20  39.101   6.868  -4.307
  156   HG22  ILE  20          HG22      ILE  20  37.398   6.642  -4.750
  157   HG23  ILE  20          HG23      ILE  20  38.305   5.307  -4.009
  158   HD11  ILE  20           HD1      ILE  20  40.427   6.709  -2.430
  159   HD12  ILE  20           HD2      ILE  20  40.564   6.097  -0.770
  160   HD13  ILE  20           HD3      ILE  20  39.955   7.741  -1.061
  161    H    GLN  21           HN       GLN  21  36.129   9.839  -1.372
  162    HA   GLN  21           HA       GLN  21  34.863  10.690  -4.010
  163    HB2  GLN  21           HB2      GLN  21  33.379   9.669  -1.557
  164    HB3  GLN  21           HB1      GLN  21  32.635  10.331  -3.033
  165    HG2  GLN  21           HG2      GLN  21  33.744   8.534  -4.368
  166    HG3  GLN  21           HG1      GLN  21  34.398   7.847  -2.861
  167   HE21  GLN  21          HE21      GLN  21  31.121   9.253  -3.539
  168   HE22  GLN  21          HE22      GLN  21  30.251   7.780  -3.100
  169    H    ASN  22           HN       ASN  22  36.168  11.563  -0.952
  170    HA   ASN  22           HA       ASN  22  34.657  14.186  -1.036
  171    HB2  ASN  22           HB2      ASN  22  34.408  12.726   1.050
  172    HB3  ASN  22           HB1      ASN  22  36.142  12.997   1.340
  173   HD21  ASN  22          HD21      ASN  22  33.610  15.265   0.065
  174   HD22  ASN  22          HD22      ASN  22  33.847  16.463   1.342
  175    H    HIS  23           HN       HIS  23  37.593  12.508  -1.438
  176    HA   HIS  23           HA       HIS  23  39.799  13.193  -1.611
  177    HB2  HIS  23           HB2      HIS  23  38.329  15.463  -3.001
  178    HB3  HIS  23           HB1      HIS  23  40.078  15.159  -3.143
  179    HD1  HIS  23           HD1      HIS  23  38.876  14.927  -5.775
  180    HD2  HIS  23           HD2      HIS  23  38.515  11.749  -3.046
  181    HE1  HIS  23           HE1      HIS  23  38.401  12.811  -7.127
  182    H    HIS  24           HN       HIS  24  38.794  16.563  -1.631
  183    HA   HIS  24           HA       HIS  24  40.641  17.136   0.581
  184    HB2  HIS  24           HB2      HIS  24  39.827  19.508   0.185
  185    HB3  HIS  24           HB1      HIS  24  40.565  18.718  -1.229
  186    HD1  HIS  24           HD1      HIS  24  37.000  18.455   0.200
  187    HD2  HIS  24           HD2      HIS  24  38.986  19.558  -3.340
  188    HE1  HIS  24           HE1      HIS  24  35.210  18.942  -1.558
  Start of MODEL   97
    1    H1   PHE   1           HT1      PHE   1  62.723   1.205  -2.544
    2    H2   PHE   1           HT2      PHE   1  64.191   1.996  -2.870
    3    H3   PHE   1           HT3      PHE   1  64.156   0.309  -2.674
    4    HA   PHE   1           HA       PHE   1  64.155   1.540  -5.014
    5    HB2  PHE   1           HB2      PHE   1  62.835  -1.097  -4.257
    6    HB3  PHE   1           HB1      PHE   1  63.293  -0.625  -5.911
    7    HD1  PHE   1           HD1      PHE   1  65.645  -0.470  -6.583
    8    HD2  PHE   1           HD2      PHE   1  64.547  -1.583  -2.558
    9    HE1  PHE   1           HE1      PHE   1  67.975  -1.245  -6.160
   10    HE2  PHE   1           HE2      PHE   1  66.877  -2.358  -2.137
   11    HZ   PHE   1           HZ       PHE   1  68.570  -2.262  -3.963
   12    H    LEU   2           HN       LEU   2  61.667   1.998  -2.912
   13    HA   LEU   2           HA       LEU   2  59.331   1.713  -4.536
   14    HB2  LEU   2           HB2      LEU   2  60.050   3.511  -2.194
   15    HB3  LEU   2           HB1      LEU   2  58.456   3.600  -2.979
   16    HG   LEU   2           HG       LEU   2  58.117   1.174  -2.552
   17   HD11  LEU   2          HD11      LEU   2  60.893   1.442  -1.336
   18   HD12  LEU   2          HD12      LEU   2  60.301   0.239  -2.506
   19   HD13  LEU   2          HD13      LEU   2  59.774   0.160  -0.812
   20   HD21  LEU   2          HD21      LEU   2  58.905   2.794  -0.086
   21   HD22  LEU   2          HD22      LEU   2  57.846   1.363  -0.090
   22   HD23  LEU   2          HD23      LEU   2  57.329   2.856  -0.912
   23    H    GLY   3           HN       GLY   3  60.271   4.966  -3.526
   24    HA2  GLY   3           HA1      GLY   3  60.509   6.921  -4.738
   25    HA3  GLY   3           HA2      GLY   3  61.050   5.932  -6.108
   26    H    ALA   4           HN       ALA   4  57.918   5.906  -4.389
   27    HA   ALA   4           HA       ALA   4  56.563   7.349  -6.537
   28    HB1  ALA   4           HB1      ALA   4  56.225   4.340  -6.302
   29    HB2  ALA   4           HB2      ALA   4  56.817   5.251  -7.712
   30    HB3  ALA   4           HB3      ALA   4  55.120   5.410  -7.197
   31    H    LEU   5           HN       LEU   5  55.925   4.742  -4.135
   32    HA   LEU   5           HA       LEU   5  53.445   6.040  -3.280
   33    HB2  LEU   5           HB2      LEU   5  54.931   3.867  -1.768
   34    HB3  LEU   5           HB1      LEU   5  53.180   4.181  -1.835
   35    HG   LEU   5           HG       LEU   5  54.938   3.170  -4.115
   36   HD11  LEU   5          HD11      LEU   5  53.646   1.120  -3.895
   37   HD12  LEU   5          HD12      LEU   5  52.590   1.864  -2.671
   38   HD13  LEU   5          HD13      LEU   5  54.299   1.537  -2.294
   39   HD21  LEU   5          HD21      LEU   5  52.016   4.031  -3.998
   40   HD22  LEU   5          HD22      LEU   5  52.631   2.929  -5.255
   41   HD23  LEU   5          HD23      LEU   5  53.282   4.579  -5.124
   42    H    ILE   6           HN       ILE   6  55.765   7.745  -3.119
   43    HA   ILE   6           HA       ILE   6  55.434   8.597  -0.284
   44    HB   ILE   6           HB       ILE   6  57.945   8.714   0.077
   45   HG12  ILE   6          HG12      ILE   6  58.028   6.886  -2.370
   46   HG13  ILE   6          HG11      ILE   6  58.609   8.567  -2.317
   47   HG21  ILE   6          HG21      ILE   6  57.083   5.837  -0.429
   48   HG22  ILE   6          HG22      ILE   6  56.421   6.808   0.907
   49   HG23  ILE   6          HG23      ILE   6  58.162   6.456   0.843
   50   HD11  ILE   6           HD1      ILE   6  60.113   7.783  -0.345
   51   HD12  ILE   6           HD2      ILE   6  60.565   7.261  -1.984
   52   HD13  ILE   6           HD3      ILE   6  59.733   6.132  -0.892
   53    H    LYS   7           HN       LYS   7  54.748   9.526  -2.926
   54    HA   LYS   7           HA       LYS   7  56.372  12.047  -3.015
   55    HB2  LYS   7           HB2      LYS   7  53.861  11.160  -4.539
   56    HB3  LYS   7           HB1      LYS   7  54.649  12.745  -4.733
   57    HG2  LYS   7           HG2      LYS   7  56.795  11.433  -5.311
   58    HG3  LYS   7           HG1      LYS   7  55.749   9.999  -5.447
   59    HD2  LYS   7           HD2      LYS   7  55.407  12.599  -7.009
   60    HD3  LYS   7           HD1      LYS   7  56.080  11.084  -7.655
   61    HE2  LYS   7           HE2      LYS   7  53.843   9.992  -6.901
   62    HE3  LYS   7           HE1      LYS   7  53.235  11.660  -6.760
   63    HZ1  LYS   7           HZ1      LYS   7  54.584  11.457  -9.191
   64    HZ2  LYS   7           HZ2      LYS   7  52.917  11.659  -8.935
   65    HZ3  LYS   7           HZ3      LYS   7  53.573  10.099  -9.080
   66    H    GLY   8           HN       GLY   8  55.248  10.721  -0.941
   67    HA2  GLY   8           HA1      GLY   8  54.197  10.740   0.911
   68    HA3  GLY   8           HA2      GLY   8  54.095  12.543   0.770
   69    H    ALA   9           HN       ALA   9  52.565   9.465   0.183
   70    HA   ALA   9           HA       ALA   9  50.441   8.851  -0.450
   71    HB1  ALA   9           HB1      ALA   9  49.695  11.170   1.361
   72    HB2  ALA   9           HB2      ALA   9  50.212   9.567   1.936
   73    HB3  ALA   9           HB3      ALA   9  48.711   9.735   0.993
   74    H    ILE  10           HN       ILE  10  51.594  10.407  -2.399
   75    HA   ILE  10           HA       ILE  10  51.181  12.012  -4.046
   76    HB   ILE  10           HB       ILE  10  48.715  11.529  -5.056
   77   HG12  ILE  10          HG12      ILE  10  49.244   9.130  -3.232
   78   HG13  ILE  10          HG11      ILE  10  47.956  10.329  -2.997
   79   HG21  ILE  10          HG21      ILE  10  50.867   9.364  -5.035
   80   HG22  ILE  10          HG22      ILE  10  50.945  10.837  -6.031
   81   HG23  ILE  10          HG23      ILE  10  49.649   9.654  -6.298
   82   HD11  ILE  10           HD1      ILE  10  47.277   9.687  -5.477
   83   HD12  ILE  10           HD2      ILE  10  46.812   8.620  -4.131
   84   HD13  ILE  10           HD3      ILE  10  48.215   8.210  -5.142
   85    H    HIS  11           HN       HIS  11  47.743  12.006  -3.319
   86    HA   HIS  11           HA       HIS  11  47.514  14.798  -3.355
   87    HB2  HIS  11           HB2      HIS  11  45.770  12.984  -1.659
   88    HB3  HIS  11           HB1      HIS  11  45.328  14.518  -2.450
   89    HD1  HIS  11           HD1      HIS  11  45.061  10.951  -2.909
   90    HD2  HIS  11           HD2      HIS  11  45.779  14.201  -5.482
   91    HE1  HIS  11           HE1      HIS  11  44.513  10.178  -5.282
   92    H    GLY  12           HN       GLY  12  49.168  12.937  -1.023
   93    HA2  GLY  12           HA1      GLY  12  48.451  14.417   1.344
   94    HA3  GLY  12           HA2      GLY  12  49.955  13.513   1.095
   95    H    GLY  13           HN       GLY  13  49.709  15.500  -1.484
   96    HA2  GLY  13           HA1      GLY  13  50.590  18.015  -0.275
   97    HA3  GLY  13           HA2      GLY  13  51.895  17.094  -1.054
   98    H    ARG  14           HN       ARG  14  50.058  15.905  -3.043
   99    HA   ARG  14           HA       ARG  14  50.375  17.876  -5.091
  100    HB2  ARG  14           HB2      ARG  14  49.967  15.208  -5.103
  101    HB3  ARG  14           HB1      ARG  14  48.290  15.707  -5.391
  102    HG2  ARG  14           HG2      ARG  14  50.737  16.459  -7.056
  103    HG3  ARG  14           HG1      ARG  14  49.414  15.373  -7.537
  104    HD2  ARG  14           HD2      ARG  14  49.353  18.385  -7.163
  105    HD3  ARG  14           HD1      ARG  14  48.887  17.432  -8.588
  106    HE   ARG  14           HE       ARG  14  47.255  16.912  -6.191
  107   HH11  ARG  14          HH11      ARG  14  45.412  16.399  -7.921
  108   HH12  ARG  14          HH12      ARG  14  44.761  17.863  -8.581
  109   HH21  ARG  14          HH21      ARG  14  47.421  19.827  -7.533
  110   HH22  ARG  14          HH22      ARG  14  45.899  19.804  -8.360
  111    H    PHE  15           HN       PHE  15  47.621  16.940  -3.026
  112    HA   PHE  15           HA       PHE  15  45.483  18.223  -4.206
  113    HB2  PHE  15           HB2      PHE  15  45.380  17.040  -2.037
  114    HB3  PHE  15           HB1      PHE  15  46.234  18.395  -1.261
  115    HD1  PHE  15           HD1      PHE  15  45.161  20.648  -1.120
  116    HD2  PHE  15           HD2      PHE  15  43.037  17.210  -2.637
  117    HE1  PHE  15           HE1      PHE  15  43.001  21.859  -0.840
  118    HE2  PHE  15           HE2      PHE  15  40.878  18.421  -2.357
  119    HZ   PHE  15           HZ       PHE  15  40.867  20.770  -1.524
  120    H    ILE  16           HN       ILE  16  47.854  19.844  -2.021
  121    HA   ILE  16           HA       ILE  16  46.753  22.449  -2.316
  122    HB   ILE  16           HB       ILE  16  49.691  21.736  -1.913
  123   HG12  ILE  16          HG12      ILE  16  47.915  20.713  -0.279
  124   HG13  ILE  16          HG11      ILE  16  49.310  21.562   0.410
  125   HG21  ILE  16          HG21      ILE  16  49.475  24.059  -2.474
  126   HG22  ILE  16          HG22      ILE  16  49.674  23.980  -0.709
  127   HG23  ILE  16          HG23      ILE  16  48.062  24.256  -1.412
  128   HD11  ILE  16           HD1      ILE  16  47.993  23.528   0.885
  129   HD12  ILE  16           HD2      ILE  16  47.055  22.130   1.456
  130   HD13  ILE  16           HD3      ILE  16  46.621  22.924  -0.072
  131    H    HIS  17           HN       HIS  17  50.023  21.844  -3.628
  132    HA   HIS  17           HA       HIS  17  49.174  22.300  -6.385
  133    HB2  HIS  17           HB2      HIS  17  48.920  24.601  -5.452
  134    HB3  HIS  17           HB1      HIS  17  50.641  24.581  -5.006
  135    HD1  HIS  17           HD1      HIS  17  48.792  23.503  -8.211
  136    HD2  HIS  17           HD2      HIS  17  51.923  26.026  -6.978
  137    HE1  HIS  17           HE1      HIS  17  49.830  24.514 -10.316
  138    H    GLY  18           HN       GLY  18  50.683  20.365  -5.001
  139    HA2  GLY  18           HA1      GLY  18  52.612  19.381  -6.394
  140    HA3  GLY  18           HA2      GLY  18  53.492  20.862  -5.943
  141    H    MET  19           HN       MET  19  52.689  21.291  -3.446
  142    HA   MET  19           HA       MET  19  52.422  19.510  -1.533
  143    HB2  MET  19           HB2      MET  19  53.999  17.864  -1.938
  144    HB3  MET  19           HB1      MET  19  55.121  18.994  -2.700
  145    HG2  MET  19           HG2      MET  19  55.998  19.713  -0.617
  146    HG3  MET  19           HG1      MET  19  54.573  19.138   0.280
  147    HE1  MET  19           HE1      MET  19  57.394  16.920   1.704
  148    HE2  MET  19           HE2      MET  19  56.203  18.214   1.977
  149    HE3  MET  19           HE3      MET  19  57.686  18.549   1.050
  150    H    ILE  20           HN       ILE  20  51.563  21.324  -0.753
  151    HA   ILE  20           HA       ILE  20  51.579  23.279   0.510
  152    HB   ILE  20           HB       ILE  20  54.543  22.840   1.108
  153   HG12  ILE  20          HG12      ILE  20  52.156  21.562   2.529
  154   HG13  ILE  20          HG11      ILE  20  53.314  20.698   1.498
  155   HG21  ILE  20          HG21      ILE  20  53.204  24.959   1.814
  156   HG22  ILE  20          HG22      ILE  20  54.104  24.104   3.084
  157   HG23  ILE  20          HG23      ILE  20  52.344  23.889   2.940
  158   HD11  ILE  20           HD1      ILE  20  54.110  20.341   3.710
  159   HD12  ILE  20           HD2      ILE  20  53.809  22.029   4.181
  160   HD13  ILE  20           HD3      ILE  20  55.149  21.638   3.075
  161    H    GLN  21           HN       GLN  21  52.376  22.743  -2.225
  162    HA   GLN  21           HA       GLN  21  52.762  24.139  -4.077
  163    HB2  GLN  21           HB2      GLN  21  54.161  26.188  -2.295
  164    HB3  GLN  21           HB1      GLN  21  53.592  26.389  -3.960
  165    HG2  GLN  21           HG2      GLN  21  51.219  25.872  -3.028
  166    HG3  GLN  21           HG1      GLN  21  51.923  26.179  -1.425
  167   HE21  GLN  21          HE21      GLN  21  53.873  28.192  -2.772
  168   HE22  GLN  21          HE22      GLN  21  52.874  29.635  -2.976
  169    H    ASN  22           HN       ASN  22  54.119  22.060  -2.852
  170    HA   ASN  22           HA       ASN  22  56.137  20.975  -2.752
  171    HB2  ASN  22           HB2      ASN  22  55.688  20.825  -5.085
  172    HB3  ASN  22           HB1      ASN  22  56.375  22.448  -5.385
  173   HD21  ASN  22          HD21      ASN  22  57.460  19.452  -3.606
  174   HD22  ASN  22          HD22      ASN  22  59.070  19.444  -4.333
  175    H    HIS  23           HN       HIS  23  56.318  22.591  -0.929
  176    HA   HIS  23           HA       HIS  23  58.322  24.678  -1.197
  177    HB2  HIS  23           HB2      HIS  23  56.626  24.577   0.633
  178    HB3  HIS  23           HB1      HIS  23  57.468  23.156   1.297
  179    HD1  HIS  23           HD1      HIS  23  59.641  23.524   2.592
  180    HD2  HIS  23           HD2      HIS  23  58.224  27.019   0.733
  181    HE1  HIS  23           HE1      HIS  23  61.012  25.479   3.499
  182    H    HIS  24           HN       HIS  24  60.477  24.588  -1.208
  183    HA   HIS  24           HA       HIS  24  61.955  22.512   0.177
  184    HB2  HIS  24           HB2      HIS  24  63.014  21.589  -1.963
  185    HB3  HIS  24           HB1      HIS  24  61.349  21.060  -1.623
  186    HD1  HIS  24           HD1      HIS  24  61.299  24.549  -2.647
  187    HD2  HIS  24           HD2      HIS  24  61.391  20.842  -4.636
  188    HE1  HIS  24           HE1      HIS  24  60.578  24.963  -5.063
  Start of MODEL   98
    1    H1   PHE   1           HT1      PHE   1  56.205  12.193   4.594
    2    H2   PHE   1           HT2      PHE   1  55.230  12.031   5.976
    3    H3   PHE   1           HT3      PHE   1  54.577  11.752   4.433
    4    HA   PHE   1           HA       PHE   1  56.877  10.177   5.245
    5    HB2  PHE   1           HB2      PHE   1  54.040   9.590   6.178
    6    HB3  PHE   1           HB1      PHE   1  55.490   8.598   6.470
    7    HD1  PHE   1           HD1      PHE   1  53.752  11.773   7.305
    8    HD2  PHE   1           HD2      PHE   1  57.172   9.264   8.108
    9    HE1  PHE   1           HE1      PHE   1  54.260  13.117   9.341
   10    HE2  PHE   1           HE2      PHE   1  57.680  10.608  10.143
   11    HZ   PHE   1           HZ       PHE   1  56.211  12.521  10.773
   12    H    LEU   2           HN       LEU   2  56.926   8.192   4.124
   13    HA   LEU   2           HA       LEU   2  55.669   8.327   1.504
   14    HB2  LEU   2           HB2      LEU   2  57.017   5.873   2.680
   15    HB3  LEU   2           HB1      LEU   2  56.947   6.401   0.982
   16    HG   LEU   2           HG       LEU   2  58.469   7.760   3.250
   17   HD11  LEU   2          HD11      LEU   2  59.422   6.408   0.687
   18   HD12  LEU   2          HD12      LEU   2  59.479   5.673   2.307
   19   HD13  LEU   2          HD13      LEU   2  60.451   7.121   1.951
   20   HD21  LEU   2          HD21      LEU   2  57.957   8.559   0.355
   21   HD22  LEU   2          HD22      LEU   2  59.339   9.189   1.285
   22   HD23  LEU   2          HD23      LEU   2  57.678   9.521   1.826
   23    H    GLY   3           HN       GLY   3  53.444   8.282   1.733
   24    HA2  GLY   3           HA1      GLY   3  52.106   6.283   3.341
   25    HA3  GLY   3           HA2      GLY   3  51.360   7.344   2.129
   26    H    ALA   4           HN       ALA   4  51.759   6.763  -0.186
   27    HA   ALA   4           HA       ALA   4  51.270   3.850  -0.493
   28    HB1  ALA   4           HB1      ALA   4  51.158   6.183  -2.435
   29    HB2  ALA   4           HB2      ALA   4  49.781   5.375  -1.647
   30    HB3  ALA   4           HB3      ALA   4  50.761   4.500  -2.849
   31    H    LEU   5           HN       LEU   5  53.565   6.363  -1.589
   32    HA   LEU   5           HA       LEU   5  55.706   4.412  -1.774
   33    HB2  LEU   5           HB2      LEU   5  54.158   4.170  -3.929
   34    HB3  LEU   5           HB1      LEU   5  55.024   5.623  -4.469
   35    HG   LEU   5           HG       LEU   5  56.302   2.984  -3.605
   36   HD11  LEU   5          HD11      LEU   5  56.840   2.694  -5.944
   37   HD12  LEU   5          HD12      LEU   5  56.238   4.321  -6.342
   38   HD13  LEU   5          HD13      LEU   5  55.100   3.047  -5.844
   39   HD21  LEU   5          HD21      LEU   5  57.451   5.664  -4.484
   40   HD22  LEU   5          HD22      LEU   5  58.379   4.151  -4.608
   41   HD23  LEU   5          HD23      LEU   5  57.833   4.729  -3.019
   42    H    ILE   6           HN       ILE   6  54.665   7.457  -3.394
   43    HA   ILE   6           HA       ILE   6  56.441   9.111  -1.799
   44    HB   ILE   6           HB       ILE   6  58.000   7.742  -3.485
   45   HG12  ILE   6          HG12      ILE   6  58.217  10.779  -3.216
   46   HG13  ILE   6          HG11      ILE   6  58.753   9.581  -2.024
   47   HG21  ILE   6          HG21      ILE   6  57.561   9.988  -5.444
   48   HG22  ILE   6          HG22      ILE   6  56.369   8.668  -5.451
   49   HG23  ILE   6          HG23      ILE   6  58.089   8.316  -5.719
   50   HD11  ILE   6           HD1      ILE   6  60.211   8.579  -3.878
   51   HD12  ILE   6           HD2      ILE   6  60.704  10.179  -3.277
   52   HD13  ILE   6           HD3      ILE   6  59.842  10.037  -4.826
   53    H    LYS   7           HN       LYS   7  56.875  10.988  -4.184
   54    HA   LYS   7           HA       LYS   7  55.685  12.907  -4.728
   55    HB2  LYS   7           HB2      LYS   7  53.313  10.981  -4.990
   56    HB3  LYS   7           HB1      LYS   7  53.335  12.666  -5.561
   57    HG2  LYS   7           HG2      LYS   7  55.344  12.041  -6.999
   58    HG3  LYS   7           HG1      LYS   7  55.026  10.343  -6.570
   59    HD2  LYS   7           HD2      LYS   7  52.665  10.648  -7.430
   60    HD3  LYS   7           HD1      LYS   7  53.150  12.256  -8.021
   61    HE2  LYS   7           HE2      LYS   7  54.419   9.599  -8.821
   62    HE3  LYS   7           HE1      LYS   7  53.330  10.582  -9.828
   63    HZ1  LYS   7           HZ1      LYS   7  56.060  11.270  -8.879
   64    HZ2  LYS   7           HZ2      LYS   7  54.994  12.428  -9.520
   65    HZ3  LYS   7           HZ3      LYS   7  55.514  11.125 -10.478
   66    H    GLY   8           HN       GLY   8  56.127  11.587  -2.407
   67    HA2  GLY   8           HA1      GLY   8  55.664  11.247  -0.262
   68    HA3  GLY   8           HA2      GLY   8  55.475  13.044  -0.258
   69    H    ALA   9           HN       ALA   9  53.814   9.970  -0.733
   70    HA   ALA   9           HA       ALA   9  51.705   9.259  -0.199
   71    HB1  ALA   9           HB1      ALA   9  50.524  10.258   1.591
   72    HB2  ALA   9           HB2      ALA   9  51.204  11.870   1.267
   73    HB3  ALA   9           HB3      ALA   9  52.232  10.592   1.957
   74    H    ILE  10           HN       ILE  10  51.535   9.609  -2.546
   75    HA   ILE  10           HA       ILE  10  50.642  10.617  -4.436
   76    HB   ILE  10           HB       ILE  10  48.030  11.157  -4.058
   77   HG12  ILE  10          HG12      ILE  10  48.338  10.965  -1.481
   78   HG13  ILE  10          HG11      ILE  10  46.980  10.127  -2.218
   79   HG21  ILE  10          HG21      ILE  10  48.679   9.350  -5.446
   80   HG22  ILE  10          HG22      ILE  10  47.614   8.622  -4.221
   81   HG23  ILE  10          HG23      ILE  10  49.380   8.435  -4.093
   82   HD11  ILE  10           HD1      ILE  10  48.410   8.830  -0.460
   83   HD12  ILE  10           HD2      ILE  10  49.590   8.643  -1.769
   84   HD13  ILE  10           HD3      ILE  10  47.951   7.996  -1.958
   85    H    HIS  11           HN       HIS  11  48.402  12.505  -2.482
   86    HA   HIS  11           HA       HIS  11  49.920  14.999  -3.280
   87    HB2  HIS  11           HB2      HIS  11  46.927  14.436  -3.264
   88    HB3  HIS  11           HB1      HIS  11  47.618  16.072  -3.367
   89    HD1  HIS  11           HD1      HIS  11  48.943  16.714  -5.529
   90    HD2  HIS  11           HD2      HIS  11  47.325  12.836  -5.603
   91    HE1  HIS  11           HE1      HIS  11  49.049  15.891  -7.945
   92    H    GLY  12           HN       GLY  12  50.373  13.599  -0.883
   93    HA2  GLY  12           HA1      GLY  12  50.628  14.178   1.352
   94    HA3  GLY  12           HA2      GLY  12  49.836  15.730   1.008
   95    H    GLY  13           HN       GLY  13  48.593  12.427   0.503
   96    HA2  GLY  13           HA1      GLY  13  46.714  11.387   1.361
   97    HA3  GLY  13           HA2      GLY  13  47.004  12.290   2.861
   98    H    ARG  14           HN       ARG  14  46.547  13.952  -0.184
   99    HA   ARG  14           HA       ARG  14  43.956  15.043   0.882
  100    HB2  ARG  14           HB2      ARG  14  46.118  16.403   0.010
  101    HB3  ARG  14           HB1      ARG  14  45.331  16.175  -1.564
  102    HG2  ARG  14           HG2      ARG  14  44.125  17.484   0.920
  103    HG3  ARG  14           HG1      ARG  14  44.599  18.297  -0.588
  104    HD2  ARG  14           HD2      ARG  14  42.912  16.639  -1.733
  105    HD3  ARG  14           HD1      ARG  14  42.263  16.435  -0.087
  106    HE   ARG  14           HE       ARG  14  42.556  19.238  -0.811
  107   HH11  ARG  14          HH11      ARG  14  40.313  18.185   0.838
  108   HH12  ARG  14          HH12      ARG  14  38.974  18.264  -0.257
  109   HH21  ARG  14          HH21      ARG  14  40.962  18.578  -3.081
  110   HH22  ARG  14          HH22      ARG  14  39.341  18.487  -2.476
  111    H    PHE  15           HN       PHE  15  45.464  13.284  -1.787
  112    HA   PHE  15           HA       PHE  15  43.448  13.419  -3.734
  113    HB2  PHE  15           HB2      PHE  15  45.683  12.180  -3.851
  114    HB3  PHE  15           HB1      PHE  15  44.881  10.843  -2.995
  115    HD1  PHE  15           HD1      PHE  15  45.009  12.801  -6.140
  116    HD2  PHE  15           HD2      PHE  15  43.125   9.518  -4.068
  117    HE1  PHE  15           HE1      PHE  15  44.029  12.007  -8.290
  118    HE2  PHE  15           HE2      PHE  15  42.144   8.723  -6.216
  119    HZ   PHE  15           HZ       PHE  15  42.631   9.945  -8.334
  120    H    ILE  16           HN       ILE  16  43.559  11.471  -0.753
  121    HA   ILE  16           HA       ILE  16  41.199   9.929  -1.377
  122    HB   ILE  16           HB       ILE  16  42.188  10.616   1.424
  123   HG12  ILE  16          HG12      ILE  16  43.168   8.488  -0.532
  124   HG13  ILE  16          HG11      ILE  16  44.107   9.871   0.079
  125   HG21  ILE  16          HG21      ILE  16  41.138   8.550   2.045
  126   HG22  ILE  16          HG22      ILE  16  40.925   8.063   0.347
  127   HG23  ILE  16          HG23      ILE  16  39.958   9.398   1.020
  128   HD11  ILE  16           HD1      ILE  16  43.592   8.907   2.450
  129   HD12  ILE  16           HD2      ILE  16  44.802   8.068   1.451
  130   HD13  ILE  16           HD3      ILE  16  43.154   7.412   1.585
  131    H    HIS  17           HN       HIS  17  41.335  12.152   1.452
  132    HA   HIS  17           HA       HIS  17  39.176  13.824   0.354
  133    HB2  HIS  17           HB2      HIS  17  38.590  11.647   2.385
  134    HB3  HIS  17           HB1      HIS  17  37.625  13.144   2.359
  135    HD1  HIS  17           HD1      HIS  17  37.589  13.583  -0.754
  136    HD2  HIS  17           HD2      HIS  17  36.787   9.916   1.145
  137    HE1  HIS  17           HE1      HIS  17  36.158  12.195  -2.352
  138    H    GLY  18           HN       GLY  18  41.894  13.859   1.668
  139    HA2  GLY  18           HA1      GLY  18  42.368  16.137   2.760
  140    HA3  GLY  18           HA2      GLY  18  41.266  15.583   4.046
  141    H    MET  19           HN       MET  19  41.789  13.023   4.236
  142    HA   MET  19           HA       MET  19  44.266  11.977   4.231
  143    HB2  MET  19           HB2      MET  19  44.330  14.131   6.178
  144    HB3  MET  19           HB1      MET  19  44.521  12.588   7.029
  145    HG2  MET  19           HG2      MET  19  46.347  11.995   5.380
  146    HG3  MET  19           HG1      MET  19  46.218  13.645   4.728
  147    HE1  MET  19           HE1      MET  19  49.442  14.244   6.589
  148    HE2  MET  19           HE2      MET  19  48.410  14.726   5.221
  149    HE3  MET  19           HE3      MET  19  48.894  13.024   5.415
  150    H    ILE  20           HN       ILE  20  42.844  10.352   3.774
  151    HA   ILE  20           HA       ILE  20  41.576   8.490   4.367
  152    HB   ILE  20           HB       ILE  20  42.230   8.965   7.311
  153   HG12  ILE  20          HG12      ILE  20  44.031   7.747   5.162
  154   HG13  ILE  20          HG11      ILE  20  44.376   9.185   6.147
  155   HG21  ILE  20          HG21      ILE  20  42.087   6.345   5.759
  156   HG22  ILE  20          HG22      ILE  20  40.633   7.111   6.433
  157   HG23  ILE  20          HG23      ILE  20  41.947   6.601   7.514
  158   HD11  ILE  20           HD1      ILE  20  44.110   7.617   8.201
  159   HD12  ILE  20           HD2      ILE  20  45.583   7.439   7.216
  160   HD13  ILE  20           HD3      ILE  20  44.244   6.282   7.029
  161    H    GLN  21           HN       GLN  21  41.023  11.414   4.545
  162    HA   GLN  21           HA       GLN  21  38.887  12.491   4.552
  163    HB2  GLN  21           HB2      GLN  21  37.781  10.174   5.175
  164    HB3  GLN  21           HB1      GLN  21  37.926  10.742   6.856
  165    HG2  GLN  21           HG2      GLN  21  36.692  12.826   6.226
  166    HG3  GLN  21           HG1      GLN  21  36.476  12.171   4.584
  167   HE21  GLN  21          HE21      GLN  21  36.107  10.864   7.970
  168   HE22  GLN  21          HE22      GLN  21  34.516  10.160   7.661
  169    H    ASN  22           HN       ASN  22  41.419  12.700   5.792
  170    HA   ASN  22           HA       ASN  22  42.525  13.740   7.521
  171    HB2  ASN  22           HB2      ASN  22  41.629  15.641   6.386
  172    HB3  ASN  22           HB1      ASN  22  40.069  15.490   7.246
  173   HD21  ASN  22          HD21      ASN  22  43.577  16.194   7.734
  174   HD22  ASN  22          HD22      ASN  22  43.341  17.078   9.246
  175    H    HIS  23           HN       HIS  23  41.470  11.510   8.354
  176    HA   HIS  23           HA       HIS  23  39.651  11.697  10.569
  177    HB2  HIS  23           HB2      HIS  23  40.298   9.579   9.428
  178    HB3  HIS  23           HB1      HIS  23  41.919   9.709  10.150
  179    HD1  HIS  23           HD1      HIS  23  38.390  10.185  11.627
  180    HD2  HIS  23           HD2      HIS  23  41.886   7.941  12.272
  181    HE1  HIS  23           HE1      HIS  23  38.047   8.842  13.773
  182    H    HIS  24           HN       HIS  24  39.856  12.631  12.485
  183    HA   HIS  24           HA       HIS  24  42.297  13.858  13.349
  184    HB2  HIS  24           HB2      HIS  24  41.087  14.126  15.531
  185    HB3  HIS  24           HB1      HIS  24  40.145  14.675  14.125
  186    HD1  HIS  24           HD1      HIS  24  40.322  11.972  16.760
  187    HD2  HIS  24           HD2      HIS  24  37.924  12.987  13.457
  188    HE1  HIS  24           HE1      HIS  24  38.202  10.551  16.892
  Start of MODEL   99
    1    H1   PHE   1           HT1      PHE   1  61.151   5.668   7.695
    2    H2   PHE   1           HT2      PHE   1  61.731   4.976   6.256
    3    H3   PHE   1           HT3      PHE   1  62.489   4.630   7.737
    4    HA   PHE   1           HA       PHE   1  61.084   2.828   6.910
    5    HB2  PHE   1           HB2      PHE   1  60.278   4.183   9.516
    6    HB3  PHE   1           HB1      PHE   1  59.903   2.498   9.080
    7    HD1  PHE   1           HD1      PHE   1  61.691   0.806   8.896
    8    HD2  PHE   1           HD2      PHE   1  62.556   4.867  10.072
    9    HE1  PHE   1           HE1      PHE   1  63.940   0.094   9.698
   10    HE2  PHE   1           HE2      PHE   1  64.806   4.155  10.873
   11    HZ   PHE   1           HZ       PHE   1  65.472   1.757  10.744
   12    H    LEU   2           HN       LEU   2  60.094   5.077   5.412
   13    HA   LEU   2           HA       LEU   2  57.301   5.523   6.037
   14    HB2  LEU   2           HB2      LEU   2  58.562   5.746   3.282
   15    HB3  LEU   2           HB1      LEU   2  57.197   6.669   3.954
   16    HG   LEU   2           HG       LEU   2  60.107   6.819   4.860
   17   HD11  LEU   2          HD11      LEU   2  59.488   7.942   2.682
   18   HD12  LEU   2          HD12      LEU   2  60.048   9.067   3.942
   19   HD13  LEU   2          HD13      LEU   2  58.311   8.925   3.584
   20   HD21  LEU   2          HD21      LEU   2  59.132   8.797   6.231
   21   HD22  LEU   2          HD22      LEU   2  58.794   7.159   6.829
   22   HD23  LEU   2          HD23      LEU   2  57.540   8.057   5.940
   23    H    GLY   3           HN       GLY   3  56.381   5.084   3.242
   24    HA2  GLY   3           HA1      GLY   3  56.515   2.241   2.719
   25    HA3  GLY   3           HA2      GLY   3  55.019   2.669   3.571
   26    H    ALA   4           HN       ALA   4  54.490   5.181   2.491
   27    HA   ALA   4           HA       ALA   4  53.149   4.461   0.082
   28    HB1  ALA   4           HB1      ALA   4  52.856   6.950  -0.182
   29    HB2  ALA   4           HB2      ALA   4  53.921   7.162   1.228
   30    HB3  ALA   4           HB3      ALA   4  52.368   6.312   1.405
   31    H    LEU   5           HN       LEU   5  53.476   5.095  -2.089
   32    HA   LEU   5           HA       LEU   5  56.293   4.955  -2.885
   33    HB2  LEU   5           HB2      LEU   5  53.983   4.074  -4.021
   34    HB3  LEU   5           HB1      LEU   5  54.137   5.612  -4.892
   35    HG   LEU   5           HG       LEU   5  56.299   3.457  -4.715
   36   HD11  LEU   5          HD11      LEU   5  54.252   2.870  -6.077
   37   HD12  LEU   5          HD12      LEU   5  55.752   2.969  -7.030
   38   HD13  LEU   5          HD13      LEU   5  54.575   4.303  -7.081
   39   HD21  LEU   5          HD21      LEU   5  56.116   6.063  -6.295
   40   HD22  LEU   5          HD22      LEU   5  57.383   4.832  -6.504
   41   HD23  LEU   5          HD23      LEU   5  57.247   5.714  -4.966
   42    H    ILE   6           HN       ILE   6  55.883   7.214  -1.299
   43    HA   ILE   6           HA       ILE   6  56.109   9.555  -1.271
   44    HB   ILE   6           HB       ILE   6  57.501   9.374  -3.991
   45   HG12  ILE   6          HG12      ILE   6  58.541   8.225  -1.358
   46   HG13  ILE   6          HG11      ILE   6  58.209   7.320  -2.852
   47   HG21  ILE   6          HG21      ILE   6  58.464  10.674  -1.411
   48   HG22  ILE   6          HG22      ILE   6  57.281  11.483  -2.464
   49   HG23  ILE   6          HG23      ILE   6  58.895  11.076  -3.091
   50   HD11  ILE   6           HD1      ILE   6  60.568   7.690  -2.860
   51   HD12  ILE   6           HD2      ILE   6  60.383   9.386  -2.354
   52   HD13  ILE   6           HD3      ILE   6  59.908   8.889  -3.997
   53    H    LYS   7           HN       LYS   7  56.484  11.002  -4.027
   54    HA   LYS   7           HA       LYS   7  54.978  12.460  -5.060
   55    HB2  LYS   7           HB2      LYS   7  53.137  10.007  -5.039
   56    HB3  LYS   7           HB1      LYS   7  52.823  11.509  -5.941
   57    HG2  LYS   7           HG2      LYS   7  54.703  11.161  -7.383
   58    HG3  LYS   7           HG1      LYS   7  55.367   9.887  -6.336
   59    HD2  LYS   7           HD2      LYS   7  54.279   8.918  -8.344
   60    HD3  LYS   7           HD1      LYS   7  53.439   8.431  -6.853
   61    HE2  LYS   7           HE2      LYS   7  51.967   9.211  -8.830
   62    HE3  LYS   7           HE1      LYS   7  51.637   9.944  -7.244
   63    HZ1  LYS   7           HZ1      LYS   7  52.017  11.360  -9.456
   64    HZ2  LYS   7           HZ2      LYS   7  53.624  11.283  -8.909
   65    HZ3  LYS   7           HZ3      LYS   7  52.414  11.940  -7.913
   66    H    GLY   8           HN       GLY   8  55.430  11.796  -2.475
   67    HA2  GLY   8           HA1      GLY   8  54.787  11.774  -0.346
   68    HA3  GLY   8           HA2      GLY   8  54.244  13.449  -0.749
   69    H    ALA   9           HN       ALA   9  53.346  10.098  -0.287
   70    HA   ALA   9           HA       ALA   9  51.339   9.075   0.158
   71    HB1  ALA   9           HB1      ALA   9  51.366  10.633   2.071
   72    HB2  ALA   9           HB2      ALA   9  49.709  10.335   1.497
   73    HB3  ALA   9           HB3      ALA   9  50.534  11.856   1.084
   74    H    ILE  10           HN       ILE  10  51.557   9.406  -2.418
   75    HA   ILE  10           HA       ILE  10  50.277   9.357  -4.324
   76    HB   ILE  10           HB       ILE  10  48.273   9.117  -2.297
   77   HG12  ILE  10          HG12      ILE  10  46.819   8.376  -4.335
   78   HG13  ILE  10          HG11      ILE  10  48.254   8.737  -5.319
   79   HG21  ILE  10          HG21      ILE  10  47.312  11.100  -4.407
   80   HG22  ILE  10          HG22      ILE  10  47.657  11.517  -2.711
   81   HG23  ILE  10          HG23      ILE  10  46.350  10.377  -3.099
   82   HD11  ILE  10           HD1      ILE  10  49.584   7.185  -3.836
   83   HD12  ILE  10           HD2      ILE  10  48.271   6.368  -4.714
   84   HD13  ILE  10           HD3      ILE  10  48.076   6.770  -2.992
   85    H    HIS  11           HN       HIS  11  49.808  12.147  -2.186
   86    HA   HIS  11           HA       HIS  11  50.825  13.991  -4.131
   87    HB2  HIS  11           HB2      HIS  11  48.685  13.640  -5.287
   88    HB3  HIS  11           HB1      HIS  11  47.796  13.975  -3.784
   89    HD1  HIS  11           HD1      HIS  11  49.726  15.627  -6.571
   90    HD2  HIS  11           HD2      HIS  11  47.857  16.742  -2.973
   91    HE1  HIS  11           HE1      HIS  11  49.512  18.173  -6.581
   92    H    GLY  12           HN       GLY  12  49.420  13.069  -1.158
   93    HA2  GLY  12           HA1      GLY  12  50.668  14.597   0.623
   94    HA3  GLY  12           HA2      GLY  12  49.540  15.817  -0.007
   95    H    GLY  13           HN       GLY  13  48.557  12.481   0.033
   96    HA2  GLY  13           HA1      GLY  13  46.887  11.412   1.223
   97    HA3  GLY  13           HA2      GLY  13  47.488  12.286   2.648
   98    H    ARG  14           HN       ARG  14  45.610  12.872  -0.344
   99    HA   ARG  14           HA       ARG  14  43.326  13.819   1.164
  100    HB2  ARG  14           HB2      ARG  14  43.364  16.159   0.627
  101    HB3  ARG  14           HB1      ARG  14  44.931  15.772   1.361
  102    HG2  ARG  14           HG2      ARG  14  45.617  17.021  -0.497
  103    HG3  ARG  14           HG1      ARG  14  45.716  15.372  -1.140
  104    HD2  ARG  14           HD2      ARG  14  44.297  16.010  -2.824
  105    HD3  ARG  14           HD1      ARG  14  43.012  16.289  -1.630
  106    HE   ARG  14           HE       ARG  14  44.576  18.582  -1.480
  107   HH11  ARG  14          HH11      ARG  14  41.824  17.718  -2.967
  108   HH12  ARG  14          HH12      ARG  14  42.008  18.697  -4.384
  109   HH21  ARG  14          HH21      ARG  14  45.328  19.465  -3.742
  110   HH22  ARG  14          HH22      ARG  14  43.992  19.687  -4.822
  111    H    PHE  15           HN       PHE  15  45.129  13.847  -1.918
  112    HA   PHE  15           HA       PHE  15  42.896  14.209  -3.643
  113    HB2  PHE  15           HB2      PHE  15  45.233  14.302  -4.423
  114    HB3  PHE  15           HB1      PHE  15  45.426  12.564  -4.084
  115    HD1  PHE  15           HD1      PHE  15  44.883  10.980  -5.767
  116    HD2  PHE  15           HD2      PHE  15  43.277  14.979  -6.020
  117    HE1  PHE  15           HE1      PHE  15  43.931  10.456  -8.009
  118    HE2  PHE  15           HE2      PHE  15  42.325  14.454  -8.262
  119    HZ   PHE  15           HZ       PHE  15  42.598  12.173  -9.228
  120    H    ILE  16           HN       ILE  16  41.140  13.080  -2.786
  121    HA   ILE  16           HA       ILE  16  39.872  11.211  -2.216
  122    HB   ILE  16           HB       ILE  16  39.557   9.631  -4.122
  123   HG12  ILE  16          HG12      ILE  16  41.719  11.284  -5.521
  124   HG13  ILE  16          HG11      ILE  16  42.005   9.665  -4.852
  125   HG21  ILE  16          HG21      ILE  16  38.592  11.263  -5.599
  126   HG22  ILE  16          HG22      ILE  16  39.762  12.509  -5.104
  127   HG23  ILE  16          HG23      ILE  16  38.508  11.964  -3.969
  128   HD11  ILE  16           HD1      ILE  16  39.992   8.907  -6.306
  129   HD12  ILE  16           HD2      ILE  16  41.513   9.287  -7.144
  130   HD13  ILE  16           HD3      ILE  16  40.182  10.466  -7.143
  131    H    HIS  17           HN       HIS  17  42.093  11.008  -0.745
  132    HA   HIS  17           HA       HIS  17  42.354   8.089  -0.482
  133    HB2  HIS  17           HB2      HIS  17  44.086   8.585  -2.203
  134    HB3  HIS  17           HB1      HIS  17  44.837   9.748  -1.084
  135    HD1  HIS  17           HD1      HIS  17  44.293   6.050  -1.663
  136    HD2  HIS  17           HD2      HIS  17  46.140   8.544   1.173
  137    HE1  HIS  17           HE1      HIS  17  45.776   4.572  -0.201
  138    H    GLY  18           HN       GLY  18  42.525  11.306   0.549
  139    HA2  GLY  18           HA1      GLY  18  42.983  10.423   3.366
  140    HA3  GLY  18           HA2      GLY  18  43.966  11.751   2.710
  141    H    MET  19           HN       MET  19  40.587  10.824   2.211
  142    HA   MET  19           HA       MET  19  39.359  12.872   3.815
  143    HB2  MET  19           HB2      MET  19  40.421  14.263   2.172
  144    HB3  MET  19           HB1      MET  19  39.631  13.342   0.903
  145    HG2  MET  19           HG2      MET  19  37.435  14.087   1.621
  146    HG3  MET  19           HG1      MET  19  38.119  14.817   3.091
  147    HE1  MET  19           HE1      MET  19  36.788  16.970   2.550
  148    HE2  MET  19           HE2      MET  19  36.159  16.246   1.050
  149    HE3  MET  19           HE3      MET  19  36.882  17.872   1.018
  150    H    ILE  20           HN       ILE  20  39.070  11.417   0.524
  151    HA   ILE  20           HA       ILE  20  36.268  10.670   1.027
  152    HB   ILE  20           HB       ILE  20  38.357   9.835  -1.045
  153   HG12  ILE  20          HG12      ILE  20  36.875  10.928  -2.609
  154   HG13  ILE  20          HG11      ILE  20  35.571  11.022  -1.406
  155   HG21  ILE  20          HG21      ILE  20  36.428   8.500  -2.096
  156   HG22  ILE  20          HG22      ILE  20  35.611   8.625  -0.520
  157   HG23  ILE  20          HG23      ILE  20  37.172   7.780  -0.649
  158   HD11  ILE  20           HD1      ILE  20  38.252  12.392  -0.975
  159   HD12  ILE  20           HD2      ILE  20  36.713  12.689  -0.134
  160   HD13  ILE  20           HD3      ILE  20  36.912  13.187  -1.831
  161    H    GLN  21           HN       GLN  21  39.265  10.030   2.137
  162    HA   GLN  21           HA       GLN  21  38.545   7.404   3.346
  163    HB2  GLN  21           HB2      GLN  21  40.458   7.331   1.661
  164    HB3  GLN  21           HB1      GLN  21  41.339   8.451   2.727
  165    HG2  GLN  21           HG2      GLN  21  42.057   6.218   3.295
  166    HG3  GLN  21           HG1      GLN  21  40.995   6.771   4.609
  167   HE21  GLN  21          HE21      GLN  21  40.350   5.353   1.317
  168   HE22  GLN  21          HE22      GLN  21  39.291   4.078   1.931
  169    H    ASN  22           HN       ASN  22  39.661  10.877   3.660
  170    HA   ASN  22           HA       ASN  22  39.880  10.264   6.670
  171    HB2  ASN  22           HB2      ASN  22  41.948  11.176   5.351
  172    HB3  ASN  22           HB1      ASN  22  41.079  12.724   5.383
  173   HD21  ASN  22          HD21      ASN  22  41.059  13.927   7.324
  174   HD22  ASN  22          HD22      ASN  22  41.795  13.344   8.821
  175    H    HIS  23           HN       HIS  23  37.449  10.927   4.965
  176    HA   HIS  23           HA       HIS  23  36.580  13.565   5.347
  177    HB2  HIS  23           HB2      HIS  23  35.279  11.867   4.121
  178    HB3  HIS  23           HB1      HIS  23  34.948  11.010   5.644
  179    HD1  HIS  23           HD1      HIS  23  32.361  11.444   5.251
  180    HD2  HIS  23           HD2      HIS  23  34.678  14.927   5.675
  181    HE1  HIS  23           HE1      HIS  23  30.757  13.376   5.720
  182    H    HIS  24           HN       HIS  24  35.686  10.846   7.527
  183    HA   HIS  24           HA       HIS  24  34.740  12.505   9.629
  184    HB2  HIS  24           HB2      HIS  24  36.043   9.772   9.923
  185    HB3  HIS  24           HB1      HIS  24  34.870  10.529  11.026
  186    HD1  HIS  24           HD1      HIS  24  32.380  10.707  10.242
  187    HD2  HIS  24           HD2      HIS  24  34.903   8.599   7.620
  188    HE1  HIS  24           HE1      HIS  24  30.889   9.510   8.548
  Start of MODEL  100
    1    H1   PHE   1           HT1      PHE   1  59.620   3.981   8.139
    2    H2   PHE   1           HT2      PHE   1  59.046   5.517   8.582
    3    H3   PHE   1           HT3      PHE   1  60.580   4.998   9.096
    4    HA   PHE   1           HA       PHE   1  60.613   6.610   7.258
    5    HB2  PHE   1           HB2      PHE   1  62.455   4.970   7.774
    6    HB3  PHE   1           HB1      PHE   1  61.732   3.863   6.583
    7    HD1  PHE   1           HD1      PHE   1  62.841   7.455   6.921
    8    HD2  PHE   1           HD2      PHE   1  62.437   4.026   4.327
    9    HE1  PHE   1           HE1      PHE   1  63.996   8.697   5.097
   10    HE2  PHE   1           HE2      PHE   1  63.595   5.269   2.506
   11    HZ   PHE   1           HZ       PHE   1  64.420   7.586   2.907
   12    H    LEU   2           HN       LEU   2  60.049   7.143   5.184
   13    HA   LEU   2           HA       LEU   2  57.666   5.920   4.129
   14    HB2  LEU   2           HB2      LEU   2  59.598   7.665   2.566
   15    HB3  LEU   2           HB1      LEU   2  57.838   7.508   2.359
   16    HG   LEU   2           HG       LEU   2  59.294   8.744   4.739
   17   HD11  LEU   2          HD11      LEU   2  59.128  10.100   2.620
   18   HD12  LEU   2          HD12      LEU   2  58.251  10.816   3.993
   19   HD13  LEU   2          HD13      LEU   2  57.356   9.954   2.718
   20   HD21  LEU   2          HD21      LEU   2  56.364   8.058   4.258
   21   HD22  LEU   2          HD22      LEU   2  56.851   9.345   5.389
   22   HD23  LEU   2          HD23      LEU   2  57.374   7.670   5.671
   23    H    GLY   3           HN       GLY   3  57.566   5.266   1.728
   24    HA2  GLY   3           HA1      GLY   3  59.846   3.998   0.535
   25    HA3  GLY   3           HA2      GLY   3  58.897   2.795   1.430
   26    H    ALA   4           HN       ALA   4  56.502   4.717   0.788
   27    HA   ALA   4           HA       ALA   4  55.493   3.159  -1.396
   28    HB1  ALA   4           HB1      ALA   4  53.607   4.641  -1.349
   29    HB2  ALA   4           HB2      ALA   4  54.555   5.917  -0.547
   30    HB3  ALA   4           HB3      ALA   4  54.149   4.423   0.331
   31    H    LEU   5           HN       LEU   5  54.288   5.486  -2.830
   32    HA   LEU   5           HA       LEU   5  56.342   5.679  -4.904
   33    HB2  LEU   5           HB2      LEU   5  53.747   7.252  -4.757
   34    HB3  LEU   5           HB1      LEU   5  54.670   6.776  -6.202
   35    HG   LEU   5           HG       LEU   5  53.236   4.878  -4.288
   36   HD11  LEU   5          HD11      LEU   5  52.650   5.695  -7.169
   37   HD12  LEU   5          HD12      LEU   5  51.718   6.193  -5.737
   38   HD13  LEU   5          HD13      LEU   5  51.748   4.483  -6.229
   39   HD21  LEU   5          HD21      LEU   5  54.985   4.445  -6.746
   40   HD22  LEU   5          HD22      LEU   5  53.789   3.234  -6.226
   41   HD23  LEU   5          HD23      LEU   5  55.124   3.685  -5.143
   42    H    ILE   6           HN       ILE   6  55.718   7.367  -2.037
   43    HA   ILE   6           HA       ILE   6  56.328   9.504  -1.239
   44    HB   ILE   6           HB       ILE   6  58.670   9.516  -3.220
   45   HG12  ILE   6          HG12      ILE   6  58.388   7.102  -2.549
   46   HG13  ILE   6          HG11      ILE   6  59.904   7.830  -1.991
   47   HG21  ILE   6          HG21      ILE   6  58.595  11.271  -1.560
   48   HG22  ILE   6          HG22      ILE   6  59.895  10.146  -1.107
   49   HG23  ILE   6          HG23      ILE   6  58.341  10.103  -0.242
   50   HD11  ILE   6           HD1      ILE   6  59.162   7.965   0.256
   51   HD12  ILE   6           HD2      ILE   6  58.559   6.387  -0.298
   52   HD13  ILE   6           HD3      ILE   6  57.454   7.772  -0.198
   53    H    LYS   7           HN       LYS   7  54.457   9.429  -3.330
   54    HA   LYS   7           HA       LYS   7  55.052  12.022  -4.720
   55    HB2  LYS   7           HB2      LYS   7  52.558  10.232  -4.635
   56    HB3  LYS   7           HB1      LYS   7  52.645  11.789  -5.497
   57    HG2  LYS   7           HG2      LYS   7  54.595  10.868  -6.816
   58    HG3  LYS   7           HG1      LYS   7  54.294   9.287  -6.057
   59    HD2  LYS   7           HD2      LYS   7  52.005   9.262  -6.974
   60    HD3  LYS   7           HD1      LYS   7  52.267  10.865  -7.701
   61    HE2  LYS   7           HE2      LYS   7  52.591   8.994  -9.340
   62    HE3  LYS   7           HE1      LYS   7  54.057   9.978  -9.117
   63    HZ1  LYS   7           HZ1      LYS   7  53.476   7.379  -7.783
   64    HZ2  LYS   7           HZ2      LYS   7  54.864   8.325  -7.535
   65    HZ3  LYS   7           HZ3      LYS   7  54.571   7.622  -9.054
   66    H    GLY   8           HN       GLY   8  55.350  11.288  -2.133
   67    HA2  GLY   8           HA1      GLY   8  55.148  11.682  -0.047
   68    HA3  GLY   8           HA2      GLY   8  54.529  13.323  -0.497
   69    H    ALA   9           HN       ALA   9  53.573   9.919  -0.265
   70    HA   ALA   9           HA       ALA   9  51.717   8.897   0.598
   71    HB1  ALA   9           HB1      ALA   9  52.057  10.687   2.441
   72    HB2  ALA   9           HB2      ALA   9  50.458   9.918   2.313
   73    HB3  ALA   9           HB3      ALA   9  50.714  11.554   1.662
   74    H    ILE  10           HN       ILE  10  51.401   8.854  -1.802
   75    HA   ILE  10           HA       ILE  10  49.924   8.883  -3.571
   76    HB   ILE  10           HB       ILE  10  48.054   9.626  -1.299
   77   HG12  ILE  10          HG12      ILE  10  46.861   7.623  -2.118
   78   HG13  ILE  10          HG11      ILE  10  47.989   7.508  -3.489
   79   HG21  ILE  10          HG21      ILE  10  46.157   9.673  -3.068
   80   HG22  ILE  10          HG22      ILE  10  47.439  10.080  -4.232
   81   HG23  ILE  10          HG23      ILE  10  47.122  11.152  -2.844
   82   HD11  ILE  10           HD1      ILE  10  48.890   7.480  -0.581
   83   HD12  ILE  10           HD2      ILE  10  49.859   7.087  -2.022
   84   HD13  ILE  10           HD3      ILE  10  48.543   6.003  -1.509
   85    H    HIS  11           HN       HIS  11  48.920  11.833  -1.800
   86    HA   HIS  11           HA       HIS  11  50.254  13.535  -3.826
   87    HB2  HIS  11           HB2      HIS  11  48.031  13.001  -4.837
   88    HB3  HIS  11           HB1      HIS  11  47.238  13.623  -3.369
   89    HD1  HIS  11           HD1      HIS  11  46.529  16.000  -3.541
   90    HD2  HIS  11           HD2      HIS  11  49.839  15.171  -5.997
   91    HE1  HIS  11           HE1      HIS  11  47.139  18.164  -4.753
   92    H    GLY  12           HN       GLY  12  49.447  12.701  -0.791
   93    HA2  GLY  12           HA1      GLY  12  49.612  13.794   1.247
   94    HA3  GLY  12           HA2      GLY  12  50.443  15.108   0.390
   95    H    GLY  13           HN       GLY  13  47.293  14.189  -0.714
   96    HA2  GLY  13           HA1      GLY  13  45.801  15.992   1.006
   97    HA3  GLY  13           HA2      GLY  13  46.166  16.722  -0.571
   98    H    ARG  14           HN       ARG  14  46.099  14.173  -2.015
   99    HA   ARG  14           HA       ARG  14  43.176  14.069  -2.398
  100    HB2  ARG  14           HB2      ARG  14  44.979  14.027  -4.247
  101    HB3  ARG  14           HB1      ARG  14  45.276  12.345  -3.762
  102    HG2  ARG  14           HG2      ARG  14  43.687  12.298  -5.586
  103    HG3  ARG  14           HG1      ARG  14  42.811  11.877  -4.099
  104    HD2  ARG  14           HD2      ARG  14  41.578  13.858  -4.112
  105    HD3  ARG  14           HD1      ARG  14  42.876  14.795  -4.891
  106    HE   ARG  14           HE       ARG  14  41.759  12.778  -6.668
  107   HH11  ARG  14          HH11      ARG  14  39.243  13.973  -6.147
  108   HH12  ARG  14          HH12      ARG  14  39.226  15.429  -7.085
  109   HH21  ARG  14          HH21      ARG  14  42.665  15.503  -7.521
  110   HH22  ARG  14          HH22      ARG  14  41.163  16.295  -7.862
  111    H    PHE  15           HN       PHE  15  45.637  12.365  -0.696
  112    HA   PHE  15           HA       PHE  15  44.765   9.726  -0.621
  113    HB2  PHE  15           HB2      PHE  15  46.753  10.594   0.568
  114    HB3  PHE  15           HB1      PHE  15  45.689  11.383   1.757
  115    HD1  PHE  15           HD1      PHE  15  46.460   8.032   0.224
  116    HD2  PHE  15           HD2      PHE  15  44.918  10.165   3.648
  117    HE1  PHE  15           HE1      PHE  15  46.317   5.893   1.494
  118    HE2  PHE  15           HE2      PHE  15  44.775   8.025   4.916
  119    HZ   PHE  15           HZ       PHE  15  45.526   5.898   3.857
  120    H    ILE  16           HN       ILE  16  43.635  12.333   1.621
  121    HA   ILE  16           HA       ILE  16  41.611  10.591   2.742
  122    HB   ILE  16           HB       ILE  16  42.524  12.442   4.049
  123   HG12  ILE  16          HG12      ILE  16  39.574  13.040   3.526
  124   HG13  ILE  16          HG11      ILE  16  40.113  11.543   4.313
  125   HG21  ILE  16          HG21      ILE  16  40.977  14.507   2.461
  126   HG22  ILE  16          HG22      ILE  16  42.562  13.981   1.855
  127   HG23  ILE  16          HG23      ILE  16  42.424  14.702   3.471
  128   HD11  ILE  16           HD1      ILE  16  41.040  14.253   5.322
  129   HD12  ILE  16           HD2      ILE  16  41.021  12.693   6.175
  130   HD13  ILE  16           HD3      ILE  16  39.495  13.546   5.844
  131    H    HIS  17           HN       HIS  17  41.030  13.695   0.905
  132    HA   HIS  17           HA       HIS  17  39.209  12.290  -0.904
  133    HB2  HIS  17           HB2      HIS  17  37.882  12.351   1.241
  134    HB3  HIS  17           HB1      HIS  17  37.910  14.125   1.143
  135    HD1  HIS  17           HD1      HIS  17  36.526  15.275  -0.743
  136    HD2  HIS  17           HD2      HIS  17  36.247  11.079  -0.723
  137    HE1  HIS  17           HE1      HIS  17  34.589  14.634  -2.281
  138    H    GLY  18           HN       GLY  18  41.433  14.350  -0.658
  139    HA2  GLY  18           HA1      GLY  18  41.605  15.813  -2.759
  140    HA3  GLY  18           HA2      GLY  18  40.142  16.626  -2.138
  141    H    MET  19           HN       MET  19  40.490  16.635   0.434
  142    HA   MET  19           HA       MET  19  42.754  17.214   1.704
  143    HB2  MET  19           HB2      MET  19  42.392  19.372  -0.238
  144    HB3  MET  19           HB1      MET  19  42.378  20.014   1.416
  145    HG2  MET  19           HG2      MET  19  44.531  18.147   0.344
  146    HG3  MET  19           HG1      MET  19  44.663  19.921   0.335
  147    HE1  MET  19           HE1      MET  19  46.532  20.624   2.238
  148    HE2  MET  19           HE2      MET  19  46.819  19.124   1.324
  149    HE3  MET  19           HE3      MET  19  47.108  19.166   3.080
  150    H    ILE  20           HN       ILE  20  41.340  16.184   3.056
  151    HA   ILE  20           HA       ILE  20  39.816  16.198   4.819
  152    HB   ILE  20           HB       ILE  20  39.772  19.250   4.772
  153   HG12  ILE  20          HG12      ILE  20  41.925  17.430   5.959
  154   HG13  ILE  20          HG11      ILE  20  42.152  18.631   4.669
  155   HG21  ILE  20          HG21      ILE  20  39.792  17.358   7.162
  156   HG22  ILE  20          HG22      ILE  20  38.287  17.770   6.313
  157   HG23  ILE  20          HG23      ILE  20  39.243  19.048   7.091
  158   HD11  ILE  20           HD1      ILE  20  41.551  19.112   7.604
  159   HD12  ILE  20           HD2      ILE  20  41.262  20.370   6.377
  160   HD13  ILE  20           HD3      ILE  20  42.904  19.733   6.633
  161    H    GLN  21           HN       GLN  21  39.494  16.683   1.886
  162    HA   GLN  21           HA       GLN  21  37.520  16.365   0.566
  163    HB2  GLN  21           HB2      GLN  21  36.106  16.312   2.801
  164    HB3  GLN  21           HB1      GLN  21  35.860  18.047   2.492
  165    HG2  GLN  21           HG2      GLN  21  35.099  17.386   0.134
  166    HG3  GLN  21           HG1      GLN  21  35.074  15.704   0.715
  167   HE21  GLN  21          HE21      GLN  21  32.665  15.796   0.308
  168   HE22  GLN  21          HE22      GLN  21  31.641  16.551   1.534
  169    H    ASN  22           HN       ASN  22  39.660  18.166   0.823
  170    HA   ASN  22           HA       ASN  22  40.374  20.270   0.221
  171    HB2  ASN  22           HB2      ASN  22  39.509  21.004  -1.995
  172    HB3  ASN  22           HB1      ASN  22  40.001  19.285  -1.923
  173   HD21  ASN  22          HD21      ASN  22  38.322  17.638  -2.004
  174   HD22  ASN  22          HD22      ASN  22  36.664  18.046  -2.458
  175    H    HIS  23           HN       HIS  23  39.031  20.491   2.373
  176    HA   HIS  23           HA       HIS  23  37.793  21.986   3.663
  177    HB2  HIS  23           HB2      HIS  23  38.165  23.931   1.359
  178    HB3  HIS  23           HB1      HIS  23  37.929  24.315   3.081
  179    HD1  HIS  23           HD1      HIS  23  39.887  23.203   4.727
  180    HD2  HIS  23           HD2      HIS  23  40.837  23.888   0.688
  181    HE1  HIS  23           HE1      HIS  23  42.436  23.167   4.527
  182    H    HIS  24           HN       HIS  24  35.946  23.880   3.309
  183    HA   HIS  24           HA       HIS  24  34.017  23.240   1.235
  184    HB2  HIS  24           HB2      HIS  24  32.277  22.273   2.684
  185    HB3  HIS  24           HB1      HIS  24  33.721  21.232   2.648
  186    HD1  HIS  24           HD1      HIS  24  35.585  22.305   4.669
  187    HD2  HIS  24           HD2      HIS  24  31.428  22.440   5.295
  188    HE1  HIS  24           HE1      HIS  24  35.199  22.495   7.188