*HEADER    IMMUNE SYSTEM                           11-JAN-18   6FGM              
*TITLE     THE NMR SOLUTION STRUCTURE OF THE PEPTIDE AC12 FROM HYPSIBOAS RANICEPS
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALA-CYS-PHE-LEU-THR-ARG-LEU-GLY-THR-TYR-VAL-CYS;           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 OTHER_DETAILS: DISULFIDE BOND 2-12                                   
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HYPSIBOAS RANICEPS;                             
*SOURCE   3 ORGANISM_TAXID: 192750                                               
*KEYWDS    AC12 PEPTIDE, IMMUNE SYSTEM                                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.S.F.C.POPOV,B.S.SIMAS,B.GOODFELLOW,A.L.BOCCA,P.B.ANDRADE,D.PEREIRA, 
*AUTHOR   2 P.VALENTAO,P.J.B.PEREIRA,J.E.RODRIGUES,P.H.H.VELOSO JR,T.M.B.REZENDE 
*REVDAT   1   09-JAN-19 6FGM    0                                                
# Restraints file 1: ac12-in.upl
  8 GLY  H       8 GLY  HA3     3.73            #peak 1
  9 THR  H       9 THR  HA      3.64            #peak 2
  9 THR  H       9 THR  HB      3.52            #peak 3
  9 THR  H       9 THR  QG2     3.74            #peak 4
  5 THR  H       5 THR  QG2     3.21            #peak 5
 11 VAL  H      11 VAL  HA      3.53            #peak 6
  4 LEU  H       4 LEU  HA      3.46            #peak 7
  7 LEU  H       7 LEU  HA      3.50            #peak 8
  3 PHE  H       3 PHE  HA      5.50            #peak 9
 10 TYR  H      10 TYR  HA      3.40            #peak 10
 12 CYSS H      12 CYSS HA      3.85            #peak 11
  2 CYSS H       2 CYSS HA      4.67            #peak 12
  5 THR  H       5 THR  HA      3.50            #peak 13
  6 ARG  H       6 ARG  HA      3.77            #peak 14
 10 TYR  QD     10 TYR  QB      2.55            #peak 15
 10 TYR  QE     10 TYR  QB      4.17            #peak 16
 10 TYR  HA     11 VAL  H       2.67            #peak 17
  5 THR  HA      6 ARG  H       2.91            #peak 18
  9 THR  HA     10 TYR  H       2.76            #peak 19
 11 VAL  HA     12 CYSS H       2.69            #peak 20
  9 THR  HB     10 TYR  H       3.15            #peak 21
  1 ALA  HA      2 CYSS H       3.66            #peak 22
  3 PHE  HA      4 LEU  H       2.64            #peak 23
  2 CYSS HA      3 PHE  H       2.79            #peak 24
  8 GLY  H       8 GLY  HA2     2.79            #peak 25
  7 LEU  HA      8 GLY  H       3.42            #peak 26
  6 ARG  HA      7 LEU  H       3.75            #peak 27
  5 THR  HA      7 LEU  H       3.60            #peak 28
  3 PHE  HZ     12 CYSS HA      3.19            #peak 29
  3 PHE  HA      3 PHE  QD      3.34            #peak 30
  2 CYSS HA      3 PHE  QD      4.02            #peak 31
 10 TYR  HA     10 TYR  QD      3.01            #peak 32
  3 PHE  HA     10 TYR  QD      3.82            #peak 33
  3 PHE  HB2     4 LEU  H       4.27            #peak 34
  3 PHE  HB2     4 LEU  H       3.41            #peak 35
 11 VAL  QG2    12 CYSS H       3.89            #peak 36
  4 LEU  QD1     5 THR  H       4.09            #peak 37
  6 ARG  QB      7 LEU  H       3.79            #peak 38
  2 CYSS HB3     3 PHE  H       3.49            #peak 39
  6 ARG  H       7 LEU  H       4.47            #peak 40
  3 PHE  H       3 PHE  QD      3.89            #peak 41
  5 THR  H       9 THR  H       3.89            #peak 42
 10 TYR  H      10 TYR  QD      3.81            #peak 43
  7 LEU  H       8 GLY  H       3.54            #peak 44
  8 GLY  H       9 THR  H       3.36            #peak 45
  7 LEU  H       8 GLY  H       3.52            #peak 46
  8 GLY  H       9 THR  H       3.39            #peak 47
  3 PHE  H       3 PHE  QD      3.76            #peak 48
 10 TYR  H      10 TYR  QD      3.57            #peak 49
  5 THR  H       9 THR  H       4.43            #peak 50
 12 CYSS H      12 CYSS HB2     3.20            #peak 51
  3 PHE  H       3 PHE  HB3     3.64            #peak 52
  3 PHE  H       3 PHE  HB2     3.93            #peak 53
  2 CYSS H       2 CYSS HB2     5.50            #peak 54
 11 VAL  H      11 VAL  HB      3.41            #peak 55
 11 VAL  H      11 VAL  QG1     3.57            #peak 56
 11 VAL  H      11 VAL  QG2     4.18            #peak 57
  8 GLY  HA2     9 THR  H       4.02            #peak 58
  3 PHE  QD      3 PHE  HB3     2.77            #peak 59
  3 PHE  QD      3 PHE  HB2     2.80            #peak 60
  2 CYSS HB3    10 TYR  QD      3.49            #peak 61
  2 CYSS HB3    10 TYR  QE      4.08            #peak 62
  2 CYSS HB2    10 TYR  QD      3.93            #peak 63
  2 CYSS HB2    10 TYR  QE      4.28            #peak 64
  5 THR  QG2     6 ARG  HE      3.48            #peak 65
  3 PHE  QD      5 THR  QG2     3.67            #peak 66
  4 LEU  H       4 LEU  HB2     3.14            #peak 67
  4 LEU  H       4 LEU  HB3     3.14            #peak 68
  4 LEU  H       4 LEU  HG      4.01            #peak 69
  4 LEU  HG     10 TYR  QE      4.49            #peak 70
  4 LEU  HG     10 TYR  QD      4.29            #peak 71
  4 LEU  HB2    10 TYR  QD      3.95            #peak 72
  4 LEU  HB2    10 TYR  QE      3.51            #peak 73
  4 LEU  QD2    10 TYR  QD      3.82            #peak 74
  4 LEU  QD2    10 TYR  QE      4.35            #peak 75
  4 LEU  QD1    10 TYR  QE      3.70            #peak 76
  4 LEU  QD1    10 TYR  QD      4.03            #peak 77
  7 LEU  H       7 LEU  QB      2.87            #peak 78
  7 LEU  H       7 LEU  QD1     3.99            #peak 79
  6 ARG  QB      6 ARG  HE      4.28            #peak 80
  6 ARG  QG      6 ARG  HE      3.42            #peak 81
  4 LEU  HG      6 ARG  HE      3.57            #peak 82
  6 ARG  QD      6 ARG  HE      3.14            #peak 83
  3 PHE  QE     11 VAL  QG1     3.47            #peak 84
  3 PHE  QE     11 VAL  QG2     3.72            #peak 85
  6 ARG  H       6 ARG  QB      3.15            #peak 86
  6 ARG  H       6 ARG  QG      3.45            #peak 87
  7 LEU  QB      8 GLY  H       3.79            #peak 88
  5 THR  QG2    11 VAL  H       3.99            #peak 89
  2 CYSS HA     12 CYSS HA      3.70            #peak 90
  2 CYSS HA     12 CYSS HA      3.11            #peak 91
  2 CYSS HA      2 CYSS HB3     3.81            #peak 92
  8 GLY  HA3     8 GLY  HA2     2.45            #peak 93
  2 CYSS HB2     2 CYSS HB3     2.40            #peak 94
  2 CYSS HB3    10 TYR  QB      2.65            #peak 95
 12 CYSS HB3    12 CYSS HB2     2.40            #peak 96
  2 CYSS HB3    10 TYR  QB      3.48            #peak 97
  2 CYSS HB3     2 CYSS HB2     2.40            #peak 98
  3 PHE  HB3     3 PHE  HB2     2.40            #peak 99
 12 CYSS HB2    12 CYSS HB3     2.40            #peak 100
  2 CYSS HB3    12 CYSS HB2     3.93            #peak 101
  2 CYSS HB3    12 CYSS HB2     4.91            #peak 102
  4 LEU  QD1     8 GLY  HA2     5.50            #peak 105
  4 LEU  QD2     8 GLY  HA2     5.50            #peak 106
  4 LEU  QD1     8 GLY  HA2     5.50            #peak 107
  7 LEU  QB      9 THR  H       4.04            #peak 109
  3 PHE  HZ     12 CYSS HB3     4.11            #peak 110
  4 LEU  HA     10 TYR  QD      3.39            #peak 111
  4 LEU  HA      5 THR  H       2.62            #peak 112
 10 TYR  H      10 TYR  QB      2.91            #peak 113
 10 TYR  H      10 TYR  QB      2.90            #peak 114
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H        ALA   1   1.807  -0.001   0.855
    2    HA   ALA   1           HA       ALA   1   2.873  -0.744  -1.153
    3    HB1  ALA   1           HB1      ALA   1   1.811  -0.588  -3.279
    4    HB2  ALA   1           HB2      ALA   1   0.639  -1.277  -2.155
    5    HB3  ALA   1           HB3      ALA   1   0.518   0.418  -2.627
    6    H    CYS   2           H        CYS   2   4.330   0.843  -0.406
    7    HA   CYS   2           HA       CYS   2   3.943   3.555  -1.462
    8    HB2  CYS   2           HB2      CYS   2   5.882   2.528   0.621
    9    HB3  CYS   2           HB3      CYS   2   5.755   4.203   0.094
   10    H    PHE   3           H        PHE   3   6.130   4.637  -2.046
   11    HA   PHE   3           HA       PHE   3   8.011   2.839  -3.335
   12    HB2  PHE   3           HB2      PHE   3   7.560   4.670  -5.366
   13    HB3  PHE   3           HB3      PHE   3   7.025   2.993  -5.346
   14    HD1  PHE   3           HD1      PHE   3   6.026   6.469  -5.075
   15    HD2  PHE   3           HD2      PHE   3   4.721   2.434  -4.713
   16    HE1  PHE   3           HE1      PHE   3   3.685   7.222  -5.158
   17    HE2  PHE   3           HE2      PHE   3   2.378   3.180  -4.797
   18    HZ   PHE   3           HZ       PHE   3   1.857   5.577  -5.020
   19    H    LEU   4           H        LEU   4  10.028   3.711  -3.578
   20    HA   LEU   4           HA       LEU   4  10.632   6.041  -2.059
   21    HB2  LEU   4           HB2      LEU   4  12.335   4.507  -1.980
   22    HB3  LEU   4           HB3      LEU   4  12.177   4.085  -3.684
   23    HG   LEU   4           HG       LEU   4  13.242   6.258  -4.260
   24   HD11  LEU   4          HD11      LEU   4  14.613   7.020  -2.050
   25   HD12  LEU   4          HD12      LEU   4  13.055   6.584  -1.351
   26   HD13  LEU   4          HD13      LEU   4  13.139   7.795  -2.630
   27   HD21  LEU   4          HD21      LEU   4  14.832   4.659  -4.428
   28   HD22  LEU   4          HD22      LEU   4  14.553   4.051  -2.796
   29   HD23  LEU   4          HD23      LEU   4  15.508   5.514  -3.042
   30    H    THR   5           H        THR   5  10.866   8.097  -2.679
   31    HA   THR   5           HA       THR   5  10.882   8.679  -5.569
   32    HB   THR   5           HB       THR   5   9.797  10.919  -4.762
   33    HG1  THR   5           HG1      THR   5   9.204   9.111  -2.645
   34   HG21  THR   5          HG21      THR   5   7.988   8.528  -4.664
   35   HG22  THR   5          HG22      THR   5   8.812   8.979  -6.157
   36   HG23  THR   5          HG23      THR   5   7.700  10.110  -5.386
   37    H    ARG   6           H        ARG   6  12.105  10.454  -6.273
   38    HA   ARG   6           HA       ARG   6  14.488  10.926  -4.783
   39    HB2  ARG   6           HB2      ARG   6  13.437  12.198  -7.316
   40    HB3  ARG   6           HB3      ARG   6  15.042  12.484  -6.655
   41    HG2  ARG   6           HG2      ARG   6  15.468  10.874  -8.231
   42    HG3  ARG   6           HG3      ARG   6  15.256   9.894  -6.779
   43    HD2  ARG   6           HD2      ARG   6  12.783  10.441  -8.258
   44    HD3  ARG   6           HD3      ARG   6  13.969   9.483  -9.144
   45    HE   ARG   6           HE       ARG   6  12.452   8.671  -6.833
   46   HH11  ARG   6          HH11      ARG   6  15.288   8.098  -8.769
   47   HH12  ARG   6          HH12      ARG   6  15.459   6.450  -8.265
   48   HH21  ARG   6          HH21      ARG   6  12.666   6.502  -6.162
   49   HH22  ARG   6          HH22      ARG   6  13.966   5.542  -6.783
   50    H    LEU   7           H        LEU   7  11.446  12.251  -4.554
   51    HA   LEU   7           HA       LEU   7  12.120  14.982  -4.062
   52    HB2  LEU   7           HB2      LEU   7   9.836  13.858  -4.675
   53    HB3  LEU   7           HB3      LEU   7   9.679  13.692  -2.928
   54    HG   LEU   7           HG       LEU   7  10.245  16.294  -3.032
   55   HD11  LEU   7          HD11      LEU   7   9.209  17.355  -4.931
   56   HD12  LEU   7          HD12      LEU   7   8.786  15.789  -5.620
   57   HD13  LEU   7          HD13      LEU   7  10.479  16.267  -5.490
   58   HD21  LEU   7          HD21      LEU   7   7.568  14.984  -3.473
   59   HD22  LEU   7          HD22      LEU   7   7.775  16.684  -3.051
   60   HD23  LEU   7          HD23      LEU   7   8.310  15.427  -1.935
   61    H    GLY   8           H        GLY   8  12.079  12.081  -2.163
   62    HA2  GLY   8           HA2      GLY   8  13.531  13.236  -0.044
   63    HA3  GLY   8           HA3      GLY   8  11.836  13.156   0.413
   64    H    THR   9           H        THR   9  10.808  10.941  -0.002
   65    HA   THR   9           HA       THR   9  12.552   8.663   0.098
   66    HB   THR   9           HB       THR   9  12.654   9.580   2.450
   67    HG1  THR   9           HG1      THR   9  13.140   7.436   2.232
   68   HG21  THR   9          HG21      THR   9  10.820   9.694   3.813
   69   HG22  THR   9          HG22      THR   9   9.955   8.430   2.939
   70   HG23  THR   9          HG23      THR   9  10.050  10.058   2.269
   71    H    TYR  10           H        TYR  10  10.857   6.837   1.304
   72    HA   TYR  10           HA       TYR  10   9.138   6.116  -0.727
   73    HB2  TYR  10           HB2      TYR  10   9.644   5.258   2.007
   74    HB3  TYR  10           HB3      TYR  10   7.956   5.049   1.554
   75    HD1  TYR  10           HD1      TYR  10  10.979   4.743  -0.593
   76    HD2  TYR  10           HD2      TYR  10   7.739   2.735   1.298
   77    HE1  TYR  10           HE1      TYR  10  11.563   2.680  -1.797
   78    HE2  TYR  10           HE2      TYR  10   8.316   0.666   0.100
   79    HH   TYR  10           HH       TYR  10   9.768  -0.334  -1.256
   80    H    VAL  11           H        VAL  11   7.193   6.756  -1.391
   81    HA   VAL  11           HA       VAL  11   5.430   8.179   0.470
   82    HB   VAL  11           HB       VAL  11   6.532   9.966  -0.701
   83   HG11  VAL  11          HG11      VAL  11   7.285   8.558  -2.623
   84   HG12  VAL  11          HG12      VAL  11   5.660   8.709  -3.297
   85   HG13  VAL  11          HG13      VAL  11   6.663  10.144  -3.079
   86   HG21  VAL  11          HG21      VAL  11   3.969   9.910  -0.387
   87   HG22  VAL  11          HG22      VAL  11   4.667  11.143  -1.438
   88   HG23  VAL  11          HG23      VAL  11   3.916   9.709  -2.139
   89    H    CYS  12           H        CYS  12   3.304   7.725   0.228
   90    HA   CYS  12           HA       CYS  12   2.473   6.219  -2.157
   91    HB2  CYS  12           HB2      CYS  12   0.917   5.203  -0.084
   92    HB3  CYS  12           HB3      CYS  12   2.246   4.381  -0.895
  Start of MODEL    2
    1    H1   ALA   1           H        ALA   1   0.209   0.843  -1.003
    2    HA   ALA   1           HA       ALA   1   2.313  -0.253  -0.092
    3    HB1  ALA   1           HB1      ALA   1   3.540  -0.609  -2.629
    4    HB2  ALA   1           HB2      ALA   1   3.235  -1.810  -1.373
    5    HB3  ALA   1           HB3      ALA   1   2.022  -1.507  -2.617
    6    H    CYS   2           H        CYS   2   4.362   0.872  -0.221
    7    HA   CYS   2           HA       CYS   2   4.024   3.573  -1.309
    8    HB2  CYS   2           HB2      CYS   2   5.966   2.515   0.756
    9    HB3  CYS   2           HB3      CYS   2   5.860   4.193   0.232
   10    H    PHE   3           H        PHE   3   6.199   4.632  -1.933
   11    HA   PHE   3           HA       PHE   3   8.069   2.821  -3.217
   12    HB2  PHE   3           HB2      PHE   3   7.577   4.628  -5.269
   13    HB3  PHE   3           HB3      PHE   3   7.079   2.940  -5.226
   14    HD1  PHE   3           HD1      PHE   3   4.794   2.334  -4.605
   15    HD2  PHE   3           HD2      PHE   3   6.006   6.400  -4.949
   16    HE1  PHE   3           HE1      PHE   3   2.434   3.028  -4.676
   17    HE2  PHE   3           HE2      PHE   3   3.648   7.100  -5.020
   18    HZ   PHE   3           HZ       PHE   3   1.859   5.413  -4.882
   19    H    LEU   4           H        LEU   4  10.081   3.691  -3.475
   20    HA   LEU   4           HA       LEU   4  10.694   6.046  -2.006
   21    HB2  LEU   4           HB2      LEU   4  12.411   4.532  -1.935
   22    HB3  LEU   4           HB3      LEU   4  12.221   4.075  -3.626
   23    HG   LEU   4           HG       LEU   4  13.260   6.242  -4.267
   24   HD11  LEU   4          HD11      LEU   4  13.256   6.569  -1.323
   25   HD12  LEU   4          HD12      LEU   4  13.067   7.770  -2.601
   26   HD13  LEU   4          HD13      LEU   4  14.670   7.149  -2.204
   27   HD21  LEU   4          HD21      LEU   4  15.568   5.566  -3.190
   28   HD22  LEU   4          HD22      LEU   4  14.798   4.556  -4.414
   29   HD23  LEU   4          HD23      LEU   4  14.662   4.132  -2.707
   30    H    THR   5           H        THR   5  10.798   8.095  -2.650
   31    HA   THR   5           HA       THR   5  10.794   8.647  -5.547
   32    HB   THR   5           HB       THR   5   9.724  10.898  -4.706
   33    HG1  THR   5           HG1      THR   5   9.803  10.450  -2.492
   34   HG21  THR   5          HG21      THR   5   7.628  10.096  -5.341
   35   HG22  THR   5          HG22      THR   5   7.921   8.502  -4.646
   36   HG23  THR   5          HG23      THR   5   8.741   8.980  -6.132
   37    H    ARG   6           H        ARG   6  12.025  10.375  -6.309
   38    HA   ARG   6           HA       ARG   6  14.425  10.893  -4.875
   39    HB2  ARG   6           HB2      ARG   6  13.307  12.125  -7.398
   40    HB3  ARG   6           HB3      ARG   6  14.922  12.440  -6.776
   41    HG2  ARG   6           HG2      ARG   6  15.339  10.813  -8.336
   42    HG3  ARG   6           HG3      ARG   6  15.162   9.848  -6.869
   43    HD2  ARG   6           HD2      ARG   6  12.658  10.354  -8.311
   44    HD3  ARG   6           HD3      ARG   6  13.838   9.397  -9.207
   45    HE   ARG   6           HE       ARG   6  12.367   8.596  -6.863
   46   HH11  ARG   6          HH11      ARG   6  15.185   8.034  -8.828
   47   HH12  ARG   6          HH12      ARG   6  15.384   6.395  -8.304
   48   HH21  ARG   6          HH21      ARG   6  12.618   6.439  -6.166
   49   HH22  ARG   6          HH22      ARG   6  13.922   5.488  -6.791
   50    H    LEU   7           H        LEU   7  11.377  12.227  -4.625
   51    HA   LEU   7           HA       LEU   7  12.049  14.959  -4.170
   52    HB2  LEU   7           HB2      LEU   7   9.645  13.543  -3.060
   53    HB3  LEU   7           HB3      LEU   7   9.814  15.247  -3.477
   54    HG   LEU   7           HG       LEU   7   9.717  12.965  -5.450
   55   HD11  LEU   7          HD11      LEU   7   7.535  14.290  -6.026
   56   HD12  LEU   7          HD12      LEU   7   7.649  14.803  -4.343
   57   HD13  LEU   7          HD13      LEU   7   7.541  13.087  -4.735
   58   HD21  LEU   7          HD21      LEU   7  11.045  14.793  -6.294
   59   HD22  LEU   7          HD22      LEU   7   9.802  15.956  -5.833
   60   HD23  LEU   7          HD23      LEU   7   9.482  14.782  -7.110
   61    H    GLY   8           H        GLY   8  12.017  12.085  -2.211
   62    HA2  GLY   8           HA2      GLY   8  13.546  13.270  -0.157
   63    HA3  GLY   8           HA3      GLY   8  11.864  13.204   0.346
   64    H    THR   9           H        THR   9  10.815  10.997   0.037
   65    HA   THR   9           HA       THR   9  12.563   8.714   0.127
   66    HB   THR   9           HB       THR   9  11.051   8.486   2.538
   67    HG1  THR   9           HG1      THR   9  11.896  10.213   3.710
   68   HG21  THR   9          HG21      THR   9  12.929   7.174   2.482
   69   HG22  THR   9          HG22      THR   9  13.550   8.536   3.416
   70   HG23  THR   9          HG23      THR   9  13.904   8.413   1.693
   71    H    TYR  10           H        TYR  10  10.968   6.843   1.264
   72    HA   TYR  10           HA       TYR  10   9.194   6.117  -0.687
   73    HB2  TYR  10           HB2      TYR  10   9.737   5.293   2.053
   74    HB3  TYR  10           HB3      TYR  10   8.049   5.059   1.613
   75    HD1  TYR  10           HD1      TYR  10   7.844   2.746   1.364
   76    HD2  TYR  10           HD2      TYR  10  11.078   4.760  -0.529
   77    HE1  TYR  10           HE1      TYR  10   8.436   0.672   0.183
   78    HE2  TYR  10           HE2      TYR  10  11.679   2.692  -1.716
   79    HH   TYR  10           HH       TYR  10   9.917  -0.333  -1.144
   80    H    VAL  11           H        VAL  11   7.236   6.738  -1.329
   81    HA   VAL  11           HA       VAL  11   5.496   8.177   0.542
   82    HB   VAL  11           HB       VAL  11   6.565   9.947  -0.685
   83   HG11  VAL  11          HG11      VAL  11   5.658   8.601  -3.226
   84   HG12  VAL  11          HG12      VAL  11   6.605  10.084  -3.084
   85   HG13  VAL  11          HG13      VAL  11   7.304   8.539  -2.595
   86   HG21  VAL  11          HG21      VAL  11   3.923   9.654  -2.063
   87   HG22  VAL  11          HG22      VAL  11   4.006   9.880  -0.316
   88   HG23  VAL  11          HG23      VAL  11   4.678  11.102  -1.397
   89    H    CYS  12           H        CYS  12   3.354   7.749   0.319
   90    HA   CYS  12           HA       CYS  12   2.487   6.190  -2.015
   91    HB2  CYS  12           HB2      CYS  12   0.990   5.174   0.098
   92    HB3  CYS  12           HB3      CYS  12   2.313   4.361  -0.732
  Start of MODEL    3
    1    H1   ALA   1           H        ALA   1   0.792   1.019   0.039
    2    HA   ALA   1           HA       ALA   1   2.861  -0.669  -0.953
    3    HB1  ALA   1           HB1      ALA   1   1.775   0.161  -3.397
    4    HB2  ALA   1           HB2      ALA   1   1.892  -1.486  -2.776
    5    HB3  ALA   1           HB3      ALA   1   0.435  -0.535  -2.486
    6    H    CYS   2           H        CYS   2   4.317   0.869  -0.357
    7    HA   CYS   2           HA       CYS   2   3.999   3.583  -1.419
    8    HB2  CYS   2           HB2      CYS   2   5.916   2.495   0.653
    9    HB3  CYS   2           HB3      CYS   2   5.823   4.178   0.145
   10    H    PHE   3           H        PHE   3   6.178   4.640  -2.019
   11    HA   PHE   3           HA       PHE   3   8.055   2.835  -3.301
   12    HB2  PHE   3           HB2      PHE   3   7.586   4.664  -5.340
   13    HB3  PHE   3           HB3      PHE   3   7.086   2.976  -5.318
   14    HD1  PHE   3           HD1      PHE   3   6.015   6.434  -5.018
   15    HD2  PHE   3           HD2      PHE   3   4.794   2.368  -4.720
   16    HE1  PHE   3           HE1      PHE   3   3.659   7.139  -5.103
   17    HE2  PHE   3           HE2      PHE   3   2.436   3.066  -4.805
   18    HZ   PHE   3           HZ       PHE   3   1.866   5.454  -4.998
   19    H    LEU   4           H        LEU   4  10.072   3.701  -3.531
   20    HA   LEU   4           HA       LEU   4  10.679   6.040  -2.036
   21    HB2  LEU   4           HB2      LEU   4  12.391   4.520  -1.963
   22    HB3  LEU   4           HB3      LEU   4  12.215   4.080  -3.660
   23    HG   LEU   4           HG       LEU   4  13.266   6.250  -4.272
   24   HD11  LEU   4          HD11      LEU   4  14.662   7.116  -2.171
   25   HD12  LEU   4          HD12      LEU   4  13.217   6.556  -1.330
   26   HD13  LEU   4          HD13      LEU   4  13.081   7.769  -2.603
   27   HD21  LEU   4          HD21      LEU   4  15.562   5.556  -3.182
   28   HD22  LEU   4          HD22      LEU   4  14.800   4.559  -4.421
   29   HD23  LEU   4          HD23      LEU   4  14.648   4.120  -2.719
   30    H    THR   5           H        THR   5  10.794   8.095  -2.659
   31    HA   THR   5           HA       THR   5  10.818   8.673  -5.551
   32    HB   THR   5           HB       THR   5   9.748  10.921  -4.698
   33    HG1  THR   5           HG1      THR   5   9.195  10.852  -2.665
   34   HG21  THR   5          HG21      THR   5   7.654  10.130  -5.358
   35   HG22  THR   5          HG22      THR   5   7.938   8.528  -4.678
   36   HG23  THR   5          HG23      THR   5   8.771   9.021  -6.152
   37    H    ARG   6           H        ARG   6  12.061  10.405  -6.286
   38    HA   ARG   6           HA       ARG   6  14.449  10.902  -4.826
   39    HB2  ARG   6           HB2      ARG   6  13.357  12.162  -7.347
   40    HB3  ARG   6           HB3      ARG   6  14.967  12.465  -6.709
   41    HG2  ARG   6           HG2      ARG   6  15.393  10.852  -8.281
   42    HG3  ARG   6           HG3      ARG   6  15.201   9.874  -6.824
   43    HD2  ARG   6           HD2      ARG   6  12.711  10.401  -8.283
   44    HD3  ARG   6           HD3      ARG   6  13.896   9.448  -9.176
   45    HE   ARG   6           HE       ARG   6  12.403   8.631  -6.853
   46   HH11  ARG   6          HH11      ARG   6  15.235   8.078  -8.800
   47   HH12  ARG   6          HH12      ARG   6  15.424   6.433  -8.291
   48   HH21  ARG   6          HH21      ARG   6  12.641   6.466  -6.174
   49   HH22  ARG   6          HH22      ARG   6  13.947   5.517  -6.797
   50    H    LEU   7           H        LEU   7  11.404  12.243  -4.590
   51    HA   LEU   7           HA       LEU   7  12.081  14.968  -4.102
   52    HB2  LEU   7           HB2      LEU   7   9.788  13.822  -4.662
   53    HB3  LEU   7           HB3      LEU   7   9.667  13.685  -2.909
   54    HG   LEU   7           HG       LEU   7  10.316  16.333  -3.267
   55   HD11  LEU   7          HD11      LEU   7   8.554  17.056  -4.944
   56   HD12  LEU   7          HD12      LEU   7   8.594  15.399  -5.543
   57   HD13  LEU   7          HD13      LEU   7  10.050  16.392  -5.601
   58   HD21  LEU   7          HD21      LEU   7   7.787  14.824  -2.783
   59   HD22  LEU   7          HD22      LEU   7   7.731  16.577  -2.969
   60   HD23  LEU   7          HD23      LEU   7   8.709  15.856  -1.690
   61    H    GLY   8           H        GLY   8  12.020  12.076  -2.172
   62    HA2  GLY   8           HA2      GLY   8  13.535  13.236  -0.092
   63    HA3  GLY   8           HA3      GLY   8  11.848  13.169   0.395
   64    H    THR   9           H        THR   9  10.796  10.970   0.058
   65    HA   THR   9           HA       THR   9  12.537   8.680   0.139
   66    HB   THR   9           HB       THR   9  11.002   8.434   2.534
   67    HG1  THR   9           HG1      THR   9  11.349  10.267   3.544
   68   HG21  THR   9          HG21      THR   9  13.491   8.463   3.436
   69   HG22  THR   9          HG22      THR   9  13.863   8.361   1.716
   70   HG23  THR   9          HG23      THR   9  12.875   7.116   2.480
   71    H    TYR  10           H        TYR  10  10.926   6.803   1.244
   72    HA   TYR  10           HA       TYR  10   9.168   6.102  -0.730
   73    HB2  TYR  10           HB2      TYR  10   9.681   5.250   2.007
   74    HB3  TYR  10           HB3      TYR  10   7.997   5.025   1.548
   75    HD1  TYR  10           HD1      TYR  10   7.790   2.715   1.277
   76    HD2  TYR  10           HD2      TYR  10  11.046   4.739  -0.568
   77    HE1  TYR  10           HE1      TYR  10   8.389   0.650   0.082
   78    HE2  TYR  10           HE2      TYR  10  11.653   2.680  -1.769
   79    HH   TYR  10           HH       TYR  10   9.791  -0.316  -1.336
   80    H    VAL  11           H        VAL  11   7.217   6.734  -1.384
   81    HA   VAL  11           HA       VAL  11   5.464   8.162   0.484
   82    HB   VAL  11           HB       VAL  11   6.549   9.940  -0.717
   83   HG11  VAL  11          HG11      VAL  11   6.634  10.096  -3.105
   84   HG12  VAL  11          HG12      VAL  11   7.289   8.526  -2.635
   85   HG13  VAL  11          HG13      VAL  11   5.653   8.643  -3.285
   86   HG21  VAL  11          HG21      VAL  11   3.918   9.663  -2.120
   87   HG22  VAL  11          HG22      VAL  11   3.989   9.880  -0.371
   88   HG23  VAL  11          HG23      VAL  11   4.672  11.105  -1.440
   89    H    CYS  12           H        CYS  12   3.323   7.741   0.240
   90    HA   CYS  12           HA       CYS  12   2.473   6.207  -2.117
   91    HB2  CYS  12           HB2      CYS  12   0.955   5.174  -0.027
   92    HB3  CYS  12           HB3      CYS  12   2.283   4.366  -0.853
  Start of MODEL    4
    1    H1   ALA   1           H        ALA   1   2.406  -0.305  -2.480
    2    HA   ALA   1           HA       ALA   1   2.615  -0.423   0.454
    3    HB1  ALA   1           HB1      ALA   1   3.243  -2.576  -0.820
    4    HB2  ALA   1           HB2      ALA   1   4.689  -1.686  -1.299
    5    HB3  ALA   1           HB3      ALA   1   4.351  -1.966   0.409
    6    H    CYS   2           H        CYS   2   2.569   1.906  -1.196
    7    HA   CYS   2           HA       CYS   2   3.670   3.874  -1.487
    8    HB2  CYS   2           HB2      CYS   2   5.538   2.698   0.583
    9    HB3  CYS   2           HB3      CYS   2   5.512   4.386   0.083
   10    H    PHE   3           H        PHE   3   5.911   4.832  -2.060
   11    HA   PHE   3           HA       PHE   3   7.699   2.950  -3.355
   12    HB2  PHE   3           HB2      PHE   3   7.328   4.813  -5.382
   13    HB3  PHE   3           HB3      PHE   3   6.741   3.153  -5.373
   14    HD1  PHE   3           HD1      PHE   3   5.849   6.660  -5.044
   15    HD2  PHE   3           HD2      PHE   3   4.419   2.659  -4.793
   16    HE1  PHE   3           HE1      PHE   3   3.532   7.486  -5.129
   17    HE2  PHE   3           HE2      PHE   3   2.101   3.478  -4.879
   18    HZ   PHE   3           HZ       PHE   3   1.655   5.894  -5.048
   19    H    LEU   4           H        LEU   4   9.756   3.721  -3.579
   20    HA   LEU   4           HA       LEU   4  10.471   6.015  -2.061
   21    HB2  LEU   4           HB2      LEU   4  12.107   4.413  -1.997
   22    HB3  LEU   4           HB3      LEU   4  11.916   3.997  -3.699
   23    HG   LEU   4           HG       LEU   4  13.073   6.119  -4.287
   24   HD11  LEU   4          HD11      LEU   4  12.996   7.643  -2.626
   25   HD12  LEU   4          HD12      LEU   4  14.502   6.866  -2.140
   26   HD13  LEU   4          HD13      LEU   4  12.987   6.420  -1.354
   27   HD21  LEU   4          HD21      LEU   4  14.337   3.903  -2.761
   28   HD22  LEU   4          HD22      LEU   4  15.327   5.302  -3.180
   29   HD23  LEU   4          HD23      LEU   4  14.532   4.372  -4.451
   30    H    THR   5           H        THR   5  10.690   8.067  -2.667
   31    HA   THR   5           HA       THR   5  10.747   8.668  -5.553
   32    HB   THR   5           HB       THR   5   9.788  10.958  -4.683
   33    HG1  THR   5           HG1      THR   5   9.072  10.916  -2.695
   34   HG21  THR   5          HG21      THR   5   7.862   8.656  -4.683
   35   HG22  THR   5          HG22      THR   5   8.719   9.121  -6.153
   36   HG23  THR   5          HG23      THR   5   7.657  10.276  -5.348
   37    H    ARG   6           H        ARG   6  12.078  10.338  -6.273
   38    HA   ARG   6           HA       ARG   6  14.484  10.705  -4.804
   39    HB2  ARG   6           HB2      ARG   6  13.464  12.034  -7.320
   40    HB3  ARG   6           HB3      ARG   6  15.086  12.251  -6.675
   41    HG2  ARG   6           HG2      ARG   6  15.434  10.629  -8.256
   42    HG3  ARG   6           HG3      ARG   6  15.186   9.652  -6.807
   43    HD2  ARG   6           HD2      ARG   6  12.732  10.316  -8.270
   44    HD3  ARG   6           HD3      ARG   6  13.870   9.311  -9.167
   45    HE   ARG   6           HE       ARG   6  12.327   8.553  -6.856
   46   HH11  ARG   6          HH11      ARG   6  15.138   7.872  -8.794
   47   HH12  ARG   6          HH12      ARG   6  15.241   6.216  -8.296
   48   HH21  ARG   6          HH21      ARG   6  12.453   6.375  -6.192
   49   HH22  ARG   6          HH22      ARG   6  13.713   5.365  -6.816
   50    H    LEU   7           H        LEU   7  11.509  12.195  -4.568
   51    HA   LEU   7           HA       LEU   7  12.319  14.881  -4.063
   52    HB2  LEU   7           HB2      LEU   7   9.974  13.854  -4.634
   53    HB3  LEU   7           HB3      LEU   7   9.841  13.712  -2.883
   54    HG   LEU   7           HG       LEU   7  10.292  16.192  -2.765
   55   HD11  LEU   7          HD11      LEU   7  11.223  16.198  -5.152
   56   HD12  LEU   7          HD12      LEU   7  10.179  17.534  -4.668
   57   HD13  LEU   7          HD13      LEU   7   9.536  16.230  -5.666
   58   HD21  LEU   7          HD21      LEU   7   7.843  15.021  -4.037
   59   HD22  LEU   7          HD22      LEU   7   7.950  16.743  -3.670
   60   HD23  LEU   7          HD23      LEU   7   8.085  15.554  -2.373
   61    H    GLY   8           H        GLY   8  12.111  11.984  -2.149
   62    HA2  GLY   8           HA2      GLY   8  13.675  13.056  -0.059
   63    HA3  GLY   8           HA3      GLY   8  11.985  13.069   0.423
   64    H    THR   9           H        THR   9  10.828  10.925   0.067
   65    HA   THR   9           HA       THR   9  12.455   8.552   0.139
   66    HB   THR   9           HB       THR   9  10.903   8.367   2.529
   67    HG1  THR   9           HG1      THR   9  12.816  10.460   2.672
   68   HG21  THR   9          HG21      THR   9  12.711   6.958   2.468
   69   HG22  THR   9          HG22      THR   9  13.387   8.267   3.438
   70   HG23  THR   9          HG23      THR   9  13.760   8.160   1.718
   71    H    TYR  10           H        TYR  10  10.751   6.749   1.228
   72    HA   TYR  10           HA       TYR  10   8.966   6.148  -0.755
   73    HB2  TYR  10           HB2      TYR  10   9.435   5.251   1.975
   74    HB3  TYR  10           HB3      TYR  10   7.741   5.114   1.516
   75    HD1  TYR  10           HD1      TYR  10   7.414   2.822   1.223
   76    HD2  TYR  10           HD2      TYR  10  10.774   4.689  -0.601
   77    HE1  TYR  10           HE1      TYR  10   7.907   0.738   0.012
   78    HE2  TYR  10           HE2      TYR  10  11.275   2.612  -1.818
   79    HH   TYR  10           HH       TYR  10  10.338  -0.232  -1.064
   80    H    VAL  11           H        VAL  11   7.048   6.875  -1.406
   81    HA   VAL  11           HA       VAL  11   5.361   8.370   0.469
   82    HB   VAL  11           HB       VAL  11   6.536  10.105  -0.712
   83   HG11  VAL  11          HG11      VAL  11   5.597   8.846  -3.285
   84   HG12  VAL  11          HG12      VAL  11   6.605  10.284  -3.110
   85   HG13  VAL  11          HG13      VAL  11   7.231   8.703  -2.638
   86   HG21  VAL  11          HG21      VAL  11   4.720  11.366  -1.435
   87   HG22  VAL  11          HG22      VAL  11   3.894   9.967  -2.121
   88   HG23  VAL  11          HG23      VAL  11   3.977  10.172  -0.372
   89    H    CYS  12           H        CYS  12   3.203   8.058   0.212
   90    HA   CYS  12           HA       CYS  12   2.289   6.586  -2.160
   91    HB2  CYS  12           HB2      CYS  12   0.712   5.616  -0.083
   92    HB3  CYS  12           HB3      CYS  12   2.001   4.748  -0.911
  Start of MODEL    5
    1    H1   ALA   1           H        ALA   1   1.670   0.722   0.644
    2    HA   ALA   1           HA       ALA   1   2.803  -0.717  -1.432
    3    HB1  ALA   1           HB1      ALA   1   0.046   0.247  -2.011
    4    HB2  ALA   1           HB2      ALA   1   1.255   0.303  -3.295
    5    HB3  ALA   1           HB3      ALA   1   0.857  -1.233  -2.524
    6    H    CYS   2           H        CYS   2   4.270   0.889  -0.393
    7    HA   CYS   2           HA       CYS   2   3.965   3.605  -1.452
    8    HB2  CYS   2           HB2      CYS   2   5.872   2.509   0.626
    9    HB3  CYS   2           HB3      CYS   2   5.786   4.193   0.119
   10    H    PHE   3           H        PHE   3   6.153   4.655  -2.039
   11    HA   PHE   3           HA       PHE   3   8.027   2.844  -3.318
   12    HB2  PHE   3           HB2      PHE   3   7.573   4.677  -5.356
   13    HB3  PHE   3           HB3      PHE   3   7.064   2.991  -5.339
   14    HD1  PHE   3           HD1      PHE   3   4.768   2.392  -4.753
   15    HD2  PHE   3           HD2      PHE   3   6.008   6.454  -5.036
   16    HE1  PHE   3           HE1      PHE   3   2.414   3.101  -4.846
   17    HE2  PHE   3           HE2      PHE   3   3.656   7.170  -5.128
   18    HZ   PHE   3           HZ       PHE   3   1.855   5.492  -5.033
   19    H    LEU   4           H        LEU   4  10.048   3.702  -3.541
   20    HA   LEU   4           HA       LEU   4  10.660   6.036  -2.040
   21    HB2  LEU   4           HB2      LEU   4  12.365   4.509  -1.964
   22    HB3  LEU   4           HB3      LEU   4  12.193   4.071  -3.662
   23    HG   LEU   4           HG       LEU   4  13.255   6.238  -4.267
   24   HD11  LEU   4          HD11      LEU   4  14.650   7.072  -2.137
   25   HD12  LEU   4          HD12      LEU   4  13.169   6.552  -1.334
   26   HD13  LEU   4          HD13      LEU   4  13.099   7.765  -2.612
   27   HD21  LEU   4          HD21      LEU   4  15.545   5.534  -3.179
   28   HD22  LEU   4          HD22      LEU   4  14.777   4.536  -4.414
   29   HD23  LEU   4          HD23      LEU   4  14.626   4.104  -2.709
   30    H    THR   5           H        THR   5  10.787   8.091  -2.660
   31    HA   THR   5           HA       THR   5  10.822   8.674  -5.551
   32    HB   THR   5           HB       THR   5   9.760  10.924  -4.698
   33    HG1  THR   5           HG1      THR   5   9.826  10.422  -2.483
   34   HG21  THR   5          HG21      THR   5   7.664  10.144  -5.366
   35   HG22  THR   5          HG22      THR   5   7.938   8.540  -4.686
   36   HG23  THR   5          HG23      THR   5   8.778   9.030  -6.157
   37    H    ARG   6           H        ARG   6  12.075  10.402  -6.279
   38    HA   ARG   6           HA       ARG   6  14.461  10.885  -4.812
   39    HB2  ARG   6           HB2      ARG   6  13.381  12.155  -7.333
   40    HB3  ARG   6           HB3      ARG   6  14.991  12.451  -6.689
   41    HG2  ARG   6           HG2      ARG   6  15.414  10.840  -8.264
   42    HG3  ARG   6           HG3      ARG   6  15.215   9.859  -6.810
   43    HD2  ARG   6           HD2      ARG   6  12.731  10.398  -8.274
   44    HD3  ARG   6           HD3      ARG   6  13.914   9.443  -9.166
   45    HE   ARG   6           HE       ARG   6  12.410   8.627  -6.848
   46   HH11  ARG   6          HH11      ARG   6  15.248   8.067  -8.785
   47   HH12  ARG   6          HH12      ARG   6  15.430   6.421  -8.277
   48   HH21  ARG   6          HH21      ARG   6  12.639   6.461  -6.171
   49   HH22  ARG   6          HH22      ARG   6  13.945   5.508  -6.791
   50    H    LEU   7           H        LEU   7  11.421  12.239  -4.581
   51    HA   LEU   7           HA       LEU   7  12.107  14.961  -4.087
   52    HB2  LEU   7           HB2      LEU   7   9.796  13.707  -4.583
   53    HB3  LEU   7           HB3      LEU   7   9.694  13.798  -2.826
   54    HG   LEU   7           HG       LEU   7   8.509  15.645  -3.886
   55   HD11  LEU   7          HD11      LEU   7   9.354  17.376  -2.537
   56   HD12  LEU   7          HD12      LEU   7  10.998  16.741  -2.610
   57   HD13  LEU   7          HD13      LEU   7   9.761  15.881  -1.693
   58   HD21  LEU   7          HD21      LEU   7  10.712  15.651  -5.634
   59   HD22  LEU   7          HD22      LEU   7  10.743  17.195  -4.783
   60   HD23  LEU   7          HD23      LEU   7   9.298  16.705  -5.668
   61    H    GLY   8           H        GLY   8  12.021  12.066  -2.156
   62    HA2  GLY   8           HA2      GLY   8  13.544  13.216  -0.075
   63    HA3  GLY   8           HA3      GLY   8  11.856  13.158   0.409
   64    H    THR   9           H        THR   9  10.793  10.963   0.061
   65    HA   THR   9           HA       THR   9  12.522   8.664   0.147
   66    HB   THR   9           HB       THR   9  10.977   8.422   2.536
   67    HG1  THR   9           HG1      THR   9  11.952  10.121   3.741
   68   HG21  THR   9          HG21      THR   9  12.846   7.097   2.494
   69   HG22  THR   9          HG22      THR   9  13.467   8.446   3.445
   70   HG23  THR   9          HG23      THR   9  13.839   8.334   1.725
   71    H    TYR  10           H        TYR  10  10.899   6.793   1.243
   72    HA   TYR  10           HA       TYR  10   9.145   6.103  -0.739
   73    HB2  TYR  10           HB2      TYR  10   9.645   5.245   1.999
   74    HB3  TYR  10           HB3      TYR  10   7.961   5.028   1.534
   75    HD1  TYR  10           HD1      TYR  10   7.744   2.720   1.258
   76    HD2  TYR  10           HD2      TYR  10  11.016   4.732  -0.573
   77    HE1  TYR  10           HE1      TYR  10   8.338   0.654   0.061
   78    HE2  TYR  10           HE2      TYR  10  11.618   2.672  -1.775
   79    HH   TYR  10           HH       TYR  10   9.887  -0.359  -1.206
   80    H    VAL  11           H        VAL  11   7.198   6.743  -1.398
   81    HA   VAL  11           HA       VAL  11   5.445   8.176   0.466
   82    HB   VAL  11           HB       VAL  11   6.542   9.952  -0.727
   83   HG11  VAL  11          HG11      VAL  11   6.582  10.115  -3.136
   84   HG12  VAL  11          HG12      VAL  11   7.315   8.588  -2.640
   85   HG13  VAL  11          HG13      VAL  11   5.674   8.611  -3.285
   86   HG21  VAL  11          HG21      VAL  11   4.674  11.127  -1.449
   87   HG22  VAL  11          HG22      VAL  11   3.917   9.695  -2.147
   88   HG23  VAL  11          HG23      VAL  11   3.977   9.896  -0.396
   89    H    CYS  12           H        CYS  12   3.304   7.765   0.214
   90    HA   CYS  12           HA       CYS  12   2.455   6.239  -2.148
   91    HB2  CYS  12           HB2      CYS  12   0.925   5.210  -0.066
   92    HB3  CYS  12           HB3      CYS  12   2.252   4.397  -0.888
  Start of MODEL    6
    1    H1   ALA   1           H        ALA   1   0.440   0.604  -1.477
    2    HA   ALA   1           HA       ALA   1   2.697  -0.528  -0.045
    3    HB1  ALA   1           HB1      ALA   1   3.852  -1.321  -2.009
    4    HB2  ALA   1           HB2      ALA   1   2.285  -2.123  -1.887
    5    HB3  ALA   1           HB3      ALA   1   2.516  -0.810  -3.042
    6    H    CYS   2           H        CYS   2   4.403   0.847   0.071
    7    HA   CYS   2           HA       CYS   2   4.018   3.501  -1.057
    8    HB2  CYS   2           HB2      CYS   2   5.938   2.388   0.989
    9    HB3  CYS   2           HB3      CYS   2   6.045   4.038   0.384
   10    H    PHE   3           H        PHE   3   6.090   4.644  -1.793
   11    HA   PHE   3           HA       PHE   3   7.945   2.901  -3.207
   12    HB2  PHE   3           HB2      PHE   3   7.326   4.823  -5.133
   13    HB3  PHE   3           HB3      PHE   3   6.896   3.116  -5.174
   14    HD1  PHE   3           HD1      PHE   3   4.671   2.386  -4.384
   15    HD2  PHE   3           HD2      PHE   3   5.698   6.500  -4.752
   16    HE1  PHE   3           HE1      PHE   3   2.285   2.984  -4.314
   17    HE2  PHE   3           HE2      PHE   3   3.314   7.105  -4.682
   18    HZ   PHE   3           HZ       PHE   3   1.604   5.346  -4.462
   19    H    LEU   4           H        LEU   4   9.892   3.908  -3.793
   20    HA   LEU   4           HA       LEU   4  10.551   6.206  -2.180
   21    HB2  LEU   4           HB2      LEU   4  12.273   4.695  -2.138
   22    HB3  LEU   4           HB3      LEU   4  12.053   4.237  -3.826
   23    HG   LEU   4           HG       LEU   4  13.049   6.455  -4.457
   24   HD11  LEU   4          HD11      LEU   4  13.760   7.951  -2.946
   25   HD12  LEU   4          HD12      LEU   4  14.352   6.710  -1.842
   26   HD13  LEU   4          HD13      LEU   4  12.639   7.129  -1.860
   27   HD21  LEU   4          HD21      LEU   4  15.401   5.710  -3.564
   28   HD22  LEU   4          HD22      LEU   4  14.539   4.739  -4.758
   29   HD23  LEU   4          HD23      LEU   4  14.515   4.271  -3.057
   30    H    THR   5           H        THR   5  10.470   8.244  -2.833
   31    HA   THR   5           HA       THR   5  10.356   8.793  -5.722
   32    HB   THR   5           HB       THR   5   9.604  11.141  -4.540
   33    HG1  THR   5           HG1      THR   5   8.453  10.728  -2.742
   34   HG21  THR   5          HG21      THR   5   8.514   9.814  -6.394
   35   HG22  THR   5          HG22      THR   5   7.406  10.638  -5.297
   36   HG23  THR   5          HG23      THR   5   7.676   8.903  -5.138
   37    H    ARG   6           H        ARG   6  11.371  10.792  -6.476
   38    HA   ARG   6           HA       ARG   6  14.060  10.984  -5.613
   39    HB2  ARG   6           HB2      ARG   6  12.389  12.627  -7.508
   40    HB3  ARG   6           HB3      ARG   6  14.073  13.009  -7.177
   41    HG2  ARG   6           HG2      ARG   6  14.065  11.745  -9.159
   42    HG3  ARG   6           HG3      ARG   6  14.621  10.652  -7.890
   43    HD2  ARG   6           HD2      ARG   6  11.710  10.719  -8.393
   44    HD3  ARG   6           HD3      ARG   6  12.709  10.013  -9.663
   45    HE   ARG   6           HE       ARG   6  12.124   8.880  -7.102
   46   HH11  ARG   6          HH11      ARG   6  14.474   9.012  -9.667
   47   HH12  ARG   6          HH12      ARG   6  15.152   7.460  -9.302
   48   HH21  ARG   6          HH21      ARG   6  13.007   6.835  -6.612
   49   HH22  ARG   6          HH22      ARG   6  14.316   6.222  -7.565
   50    H    LEU   7           H        LEU   7  11.259  12.291  -4.336
   51    HA   LEU   7           HA       LEU   7  12.183  14.846  -3.514
   52    HB2  LEU   7           HB2      LEU   7   9.833  13.210  -3.168
   53    HB3  LEU   7           HB3      LEU   7  10.286  13.988  -1.653
   54    HG   LEU   7           HG       LEU   7  10.237  16.179  -2.836
   55   HD11  LEU   7          HD11      LEU   7   8.910  16.163  -5.000
   56   HD12  LEU   7          HD12      LEU   7   9.278  14.441  -5.090
   57   HD13  LEU   7          HD13      LEU   7  10.587  15.623  -5.092
   58   HD21  LEU   7          HD21      LEU   7   7.869  16.407  -2.761
   59   HD22  LEU   7          HD22      LEU   7   8.321  15.234  -1.523
   60   HD23  LEU   7          HD23      LEU   7   7.632  14.684  -3.052
   61    H    GLY   8           H        GLY   8  12.478  11.623  -2.208
   62    HA2  GLY   8           HA2      GLY   8  14.409  11.206  -0.774
   63    HA3  GLY   8           HA3      GLY   8  14.082  12.748   0.002
   64    H    THR   9           H        THR   9  11.547  10.491  -0.827
   65    HA   THR   9           HA       THR   9  11.428   9.321   1.803
   66    HB   THR   9           HB       THR   9   8.834  10.367   1.577
   67    HG1  THR   9           HG1      THR   9   9.484  12.690   1.691
   68   HG21  THR   9          HG21      THR   9   9.717  11.773   3.593
   69   HG22  THR   9          HG22      THR   9  11.179  10.809   3.382
   70   HG23  THR   9          HG23      THR   9   9.640  10.016   3.718
   71    H    TYR  10           H        TYR  10   9.977   7.582   1.939
   72    HA   TYR  10           HA       TYR  10   9.374   6.351  -0.582
   73    HB2  TYR  10           HB2      TYR  10   9.943   5.405   1.937
   74    HB3  TYR  10           HB3      TYR  10   8.214   5.103   1.805
   75    HD1  TYR  10           HD1      TYR  10   7.842   2.878   1.325
   76    HD2  TYR  10           HD2      TYR  10  11.032   4.890  -0.645
   77    HE1  TYR  10           HE1      TYR  10   8.294   0.854   0.003
   78    HE2  TYR  10           HE2      TYR  10  11.493   2.872  -1.973
   79    HH   TYR  10           HH       TYR  10   9.557  -0.080  -1.561
   80    H    VAL  11           H        VAL  11   7.943   8.453  -0.895
   81    HA   VAL  11           HA       VAL  11   5.456   8.768   0.250
   82    HB   VAL  11           HB       VAL  11   6.531  10.268  -1.473
   83   HG11  VAL  11          HG11      VAL  11   7.015   8.525  -3.133
   84   HG12  VAL  11          HG12      VAL  11   5.284   8.314  -3.404
   85   HG13  VAL  11          HG13      VAL  11   6.063   9.841  -3.819
   86   HG21  VAL  11          HG21      VAL  11   4.028  10.179  -0.659
   87   HG22  VAL  11          HG22      VAL  11   4.526  11.266  -1.955
   88   HG23  VAL  11          HG23      VAL  11   3.733   9.739  -2.342
   89    H    CYS  12           H        CYS  12   3.376   8.035  -0.223
   90    HA   CYS  12           HA       CYS  12   3.262   5.527  -1.768
   91    HB2  CYS  12           HB2      CYS  12   1.317   6.107   0.432
   92    HB3  CYS  12           HB3      CYS  12   1.869   4.554  -0.189
  Start of MODEL    7
    1    H1   ALA   1           H        ALA   1   1.284   0.690   0.542
    2    HA   ALA   1           HA       ALA   1   3.061  -0.833  -0.791
    3    HB1  ALA   1           HB1      ALA   1   0.654  -0.379  -2.478
    4    HB2  ALA   1           HB2      ALA   1   2.241  -0.347  -3.248
    5    HB3  ALA   1           HB3      ALA   1   1.715  -1.785  -2.374
    6    H    CYS   2           H        CYS   2   4.372   0.830  -0.062
    7    HA   CYS   2           HA       CYS   2   3.989   3.507  -1.151
    8    HB2  CYS   2           HB2      CYS   2   5.889   2.371   0.902
    9    HB3  CYS   2           HB3      CYS   2   6.005   4.025   0.311
   10    H    PHE   3           H        PHE   3   6.067   4.649  -1.865
   11    HA   PHE   3           HA       PHE   3   7.931   2.910  -3.274
   12    HB2  PHE   3           HB2      PHE   3   7.331   4.848  -5.192
   13    HB3  PHE   3           HB3      PHE   3   6.899   3.142  -5.249
   14    HD1  PHE   3           HD1      PHE   3   4.666   2.409  -4.480
   15    HD2  PHE   3           HD2      PHE   3   5.702   6.524  -4.815
   16    HE1  PHE   3           HE1      PHE   3   2.281   3.010  -4.426
   17    HE2  PHE   3           HE2      PHE   3   3.318   7.132  -4.760
   18    HZ   PHE   3           HZ       PHE   3   1.604   5.374  -4.565
   19    H    LEU   4           H        LEU   4   9.883   3.919  -3.844
   20    HA   LEU   4           HA       LEU   4  10.536   6.203  -2.207
   21    HB2  LEU   4           HB2      LEU   4  12.254   4.688  -2.165
   22    HB3  LEU   4           HB3      LEU   4  12.046   4.243  -3.858
   23    HG   LEU   4           HG       LEU   4  13.050   6.464  -4.464
   24   HD11  LEU   4          HD11      LEU   4  14.350   6.706  -1.853
   25   HD12  LEU   4          HD12      LEU   4  12.632   7.101  -1.850
   26   HD13  LEU   4          HD13      LEU   4  13.731   7.952  -2.936
   27   HD21  LEU   4          HD21      LEU   4  14.539   4.749  -4.770
   28   HD22  LEU   4          HD22      LEU   4  14.500   4.263  -3.075
   29   HD23  LEU   4          HD23      LEU   4  15.395   5.704  -3.558
   30    H    THR   5           H        THR   5  10.479   8.247  -2.844
   31    HA   THR   5           HA       THR   5  10.380   8.818  -5.730
   32    HB   THR   5           HB       THR   5   9.626  11.159  -4.536
   33    HG1  THR   5           HG1      THR   5   9.435  10.389  -2.475
   34   HG21  THR   5          HG21      THR   5   7.431  10.666  -5.310
   35   HG22  THR   5          HG22      THR   5   7.698   8.929  -5.163
   36   HG23  THR   5          HG23      THR   5   8.545   9.850  -6.405
   37    H    ARG   6           H        ARG   6  11.406  10.821  -6.460
   38    HA   ARG   6           HA       ARG   6  14.090  10.998  -5.578
   39    HB2  ARG   6           HB2      ARG   6  12.436  12.663  -7.469
   40    HB3  ARG   6           HB3      ARG   6  14.120  13.036  -7.124
   41    HG2  ARG   6           HG2      ARG   6  14.121  11.789  -9.117
   42    HG3  ARG   6           HG3      ARG   6  14.663  10.682  -7.853
   43    HD2  ARG   6           HD2      ARG   6  11.756  10.767  -8.376
   44    HD3  ARG   6           HD3      ARG   6  12.760  10.069  -9.647
   45    HE   ARG   6           HE       ARG   6  12.159   8.917  -7.095
   46   HH11  ARG   6          HH11      ARG   6  14.505   9.050  -9.664
   47   HH12  ARG   6          HH12      ARG   6  15.169   7.488  -9.315
   48   HH21  ARG   6          HH21      ARG   6  13.024   6.859  -6.626
   49   HH22  ARG   6          HH22      ARG   6  14.324   6.242  -7.587
   50    H    LEU   7           H        LEU   7  11.284  12.302  -4.309
   51    HA   LEU   7           HA       LEU   7  12.208  14.848  -3.459
   52    HB2  LEU   7           HB2      LEU   7   9.833  13.299  -3.252
   53    HB3  LEU   7           HB3      LEU   7  10.282  13.835  -1.634
   54    HG   LEU   7           HG       LEU   7   8.688  15.354  -2.719
   55   HD11  LEU   7          HD11      LEU   7   9.615  17.166  -1.763
   56   HD12  LEU   7          HD12      LEU   7  11.120  17.009  -2.669
   57   HD13  LEU   7          HD13      LEU   7  10.844  16.014  -1.239
   58   HD21  LEU   7          HD21      LEU   7   9.423  14.980  -5.038
   59   HD22  LEU   7          HD22      LEU   7  10.908  15.868  -4.696
   60   HD23  LEU   7          HD23      LEU   7   9.350  16.693  -4.626
   61    H    GLY   8           H        GLY   8  12.467  11.614  -2.162
   62    HA2  GLY   8           HA2      GLY   8  14.401  11.184  -0.727
   63    HA3  GLY   8           HA3      GLY   8  14.067  12.718   0.062
   64    H    THR   9           H        THR   9  11.525  10.488  -0.804
   65    HA   THR   9           HA       THR   9  11.392   9.285   1.812
   66    HB   THR   9           HB       THR   9   8.801  10.334   1.581
   67    HG1  THR   9           HG1      THR   9   9.078  12.501   1.309
   68   HG21  THR   9          HG21      THR   9   9.677  11.727   3.611
   69   HG22  THR   9          HG22      THR   9  11.136  10.759   3.401
   70   HG23  THR   9          HG23      THR   9   9.592   9.970   3.724
   71    H    TYR  10           H        TYR  10   9.936   7.547   1.922
   72    HA   TYR  10           HA       TYR  10   9.352   6.340  -0.614
   73    HB2  TYR  10           HB2      TYR  10   9.898   5.370   1.900
   74    HB3  TYR  10           HB3      TYR  10   8.169   5.074   1.753
   75    HD1  TYR  10           HD1      TYR  10   7.793   2.856   1.250
   76    HD2  TYR  10           HD2      TYR  10  11.006   4.873  -0.677
   77    HE1  TYR  10           HE1      TYR  10   8.249   0.842  -0.086
   78    HE2  TYR  10           HE2      TYR  10  11.469   2.865  -2.019
   79    HH   TYR  10           HH       TYR  10  11.022   0.673  -2.268
   80    H    VAL  11           H        VAL  11   7.927   8.447  -0.921
   81    HA   VAL  11           HA       VAL  11   5.431   8.757   0.205
   82    HB   VAL  11           HB       VAL  11   6.522  10.271  -1.494
   83   HG11  VAL  11          HG11      VAL  11   5.294   8.333  -3.453
   84   HG12  VAL  11          HG12      VAL  11   6.076   9.864  -3.849
   85   HG13  VAL  11          HG13      VAL  11   7.021   8.541  -3.164
   86   HG21  VAL  11          HG21      VAL  11   4.522  11.272  -1.992
   87   HG22  VAL  11          HG22      VAL  11   3.731   9.748  -2.393
   88   HG23  VAL  11          HG23      VAL  11   4.011  10.179  -0.706
   89    H    CYS  12           H        CYS  12   3.355   8.028  -0.286
   90    HA   CYS  12           HA       CYS  12   3.249   5.533  -1.852
   91    HB2  CYS  12           HB2      CYS  12   1.283   6.106   0.331
   92    HB3  CYS  12           HB3      CYS  12   1.835   4.556  -0.295
  Start of MODEL    8
    1    H1   ALA   1           H        ALA   1   4.351  -1.401   0.522
    2    HA   ALA   1           HA       ALA   1   2.588  -0.604  -1.646
    3    HB1  ALA   1           HB1      ALA   1   2.053   0.507   1.093
    4    HB2  ALA   1           HB2      ALA   1   1.074   0.657  -0.367
    5    HB3  ALA   1           HB3      ALA   1   1.193  -0.897   0.460
    6    H    CYS   2           H        CYS   2   2.402   2.016  -1.368
    7    HA   CYS   2           HA       CYS   2   3.518   3.977  -1.650
    8    HB2  CYS   2           HB2      CYS   2   5.350   2.798   0.451
    9    HB3  CYS   2           HB3      CYS   2   5.339   4.485  -0.054
   10    H    PHE   3           H        PHE   3   5.784   4.917  -2.179
   11    HA   PHE   3           HA       PHE   3   7.563   3.014  -3.462
   12    HB2  PHE   3           HB2      PHE   3   7.271   4.902  -5.472
   13    HB3  PHE   3           HB3      PHE   3   6.631   3.262  -5.489
   14    HD1  PHE   3           HD1      PHE   3   4.285   2.841  -4.907
   15    HD2  PHE   3           HD2      PHE   3   5.848   6.791  -5.180
   16    HE1  PHE   3           HE1      PHE   3   1.996   3.736  -5.019
   17    HE2  PHE   3           HE2      PHE   3   3.562   7.692  -5.293
   18    HZ   PHE   3           HZ       PHE   3   1.632   6.164  -5.211
   19    H    LEU   4           H        LEU   4   9.639   3.751  -3.659
   20    HA   LEU   4           HA       LEU   4  10.370   6.015  -2.095
   21    HB2  LEU   4           HB2      LEU   4  11.962   4.366  -2.007
   22    HB3  LEU   4           HB3      LEU   4  11.810   3.980  -3.720
   23    HG   LEU   4           HG       LEU   4  13.029   6.085  -4.242
   24   HD11  LEU   4          HD11      LEU   4  14.409   6.721  -1.999
   25   HD12  LEU   4          HD12      LEU   4  12.815   6.374  -1.329
   26   HD13  LEU   4          HD13      LEU   4  12.995   7.598  -2.585
   27   HD21  LEU   4          HD21      LEU   4  14.180   3.794  -2.754
   28   HD22  LEU   4          HD22      LEU   4  15.226   5.186  -3.040
   29   HD23  LEU   4          HD23      LEU   4  14.483   4.346  -4.402
   30    H    THR   5           H        THR   5  10.687   8.062  -2.682
   31    HA   THR   5           HA       THR   5  10.812   8.678  -5.564
   32    HB   THR   5           HB       THR   5   9.879  10.980  -4.721
   33    HG1  THR   5           HG1      THR   5   9.481  10.886  -2.639
   34   HG21  THR   5          HG21      THR   5   8.795   9.139  -6.186
   35   HG22  THR   5          HG22      THR   5   7.752  10.342  -5.427
   36   HG23  THR   5          HG23      THR   5   7.897   8.730  -4.726
   37    H    ARG   6           H        ARG   6  12.169  10.365  -6.230
   38    HA   ARG   6           HA       ARG   6  14.556  10.657  -4.703
   39    HB2  ARG   6           HB2      ARG   6  13.628  12.026  -7.233
   40    HB3  ARG   6           HB3      ARG   6  15.239  12.199  -6.548
   41    HG2  ARG   6           HG2      ARG   6  15.580  10.582  -8.139
   42    HG3  ARG   6           HG3      ARG   6  15.287   9.602  -6.700
   43    HD2  ARG   6           HD2      ARG   6  12.873  10.324  -8.203
   44    HD3  ARG   6           HD3      ARG   6  14.006   9.299  -9.084
   45    HE   ARG   6           HE       ARG   6  12.411   8.565  -6.799
   46   HH11  ARG   6          HH11      ARG   6  15.226   7.828  -8.709
   47   HH12  ARG   6          HH12      ARG   6  15.283   6.166  -8.221
   48   HH21  ARG   6          HH21      ARG   6  12.475   6.380  -6.148
   49   HH22  ARG   6          HH22      ARG   6  13.717   5.344  -6.765
   50    H    LEU   7           H        LEU   7  11.609  12.188  -4.502
   51    HA   LEU   7           HA       LEU   7  12.462  14.859  -3.963
   52    HB2  LEU   7           HB2      LEU   7  10.114  13.899  -4.615
   53    HB3  LEU   7           HB3      LEU   7   9.926  13.727  -2.871
   54    HG   LEU   7           HG       LEU   7  10.731  16.373  -3.994
   55   HD11  LEU   7          HD11      LEU   7   8.138  16.778  -3.918
   56   HD12  LEU   7          HD12      LEU   7   8.079  15.054  -4.285
   57   HD13  LEU   7          HD13      LEU   7   8.919  16.159  -5.373
   58   HD21  LEU   7          HD21      LEU   7   9.966  15.294  -1.468
   59   HD22  LEU   7          HD22      LEU   7   8.781  16.505  -1.957
   60   HD23  LEU   7          HD23      LEU   7  10.491  16.931  -1.862
   61    H    GLY   8           H        GLY   8  12.196  11.946  -2.100
   62    HA2  GLY   8           HA2      GLY   8  13.699  12.975   0.049
   63    HA3  GLY   8           HA3      GLY   8  11.997  13.004   0.486
   64    H    THR   9           H        THR   9  10.828  10.869   0.032
   65    HA   THR   9           HA       THR   9  12.417   8.479   0.127
   66    HB   THR   9           HB       THR   9  12.539   9.359   2.491
   67    HG1  THR   9           HG1      THR   9  12.907   7.232   2.433
   68   HG21  THR   9          HG21      THR   9   9.844   9.814   2.167
   69   HG22  THR   9          HG22      THR   9  10.706   9.806   3.705
   70   HG23  THR   9          HG23      THR   9   9.879   8.351   3.150
   71    H    TYR  10           H        TYR  10  10.585   6.754   1.282
   72    HA   TYR  10           HA       TYR  10   8.857   6.173  -0.787
   73    HB2  TYR  10           HB2      TYR  10   9.262   5.248   1.941
   74    HB3  TYR  10           HB3      TYR  10   7.570   5.158   1.463
   75    HD1  TYR  10           HD1      TYR  10   7.202   2.869   1.170
   76    HD2  TYR  10           HD2      TYR  10  10.601   4.677  -0.642
   77    HE1  TYR  10           HE1      TYR  10   7.655   0.781  -0.048
   78    HE2  TYR  10           HE2      TYR  10  11.063   2.594  -1.867
   79    HH   TYR  10           HH       TYR  10   8.825   0.052  -2.080
   80    H    VAL  11           H        VAL  11   6.978   6.961  -1.477
   81    HA   VAL  11           HA       VAL  11   5.278   8.468   0.377
   82    HB   VAL  11           HB       VAL  11   6.512  10.195  -0.746
   83   HG11  VAL  11          HG11      VAL  11   5.633   8.990  -3.366
   84   HG12  VAL  11          HG12      VAL  11   6.669  10.400  -3.136
   85   HG13  VAL  11          HG13      VAL  11   7.241   8.799  -2.667
   86   HG21  VAL  11          HG21      VAL  11   3.915  10.118  -2.239
   87   HG22  VAL  11          HG22      VAL  11   3.946  10.307  -0.486
   88   HG23  VAL  11          HG23      VAL  11   4.742  11.497  -1.515
   89    H    CYS  12           H        CYS  12   3.132   8.157   0.094
   90    HA   CYS  12           HA       CYS  12   2.244   6.743  -2.326
   91    HB2  CYS  12           HB2      CYS  12   0.588   5.806  -0.295
   92    HB3  CYS  12           HB3      CYS  12   1.874   4.908  -1.095
  Start of MODEL    9
    1    H1   ALA   1           H        ALA   1   1.132  -0.669  -0.136
    2    HA   ALA   1           HA       ALA   1   3.692  -1.331  -0.169
    3    HB1  ALA   1           HB1      ALA   1   3.600  -0.790  -2.759
    4    HB2  ALA   1           HB2      ALA   1   2.643  -2.090  -2.045
    5    HB3  ALA   1           HB3      ALA   1   1.893  -0.532  -2.393
    6    H    CYS   2           H        CYS   2   2.579   1.831  -1.371
    7    HA   CYS   2           HA       CYS   2   3.648   3.819  -1.648
    8    HB2  CYS   2           HB2      CYS   2   5.521   2.668   0.432
    9    HB3  CYS   2           HB3      CYS   2   5.469   4.357  -0.062
   10    H    PHE   3           H        PHE   3   5.889   4.815  -2.185
   11    HA   PHE   3           HA       PHE   3   7.702   2.962  -3.494
   12    HB2  PHE   3           HB2      PHE   3   7.353   4.852  -5.491
   13    HB3  PHE   3           HB3      PHE   3   6.746   3.200  -5.511
   14    HD1  PHE   3           HD1      PHE   3   5.895   6.710  -5.176
   15    HD2  PHE   3           HD2      PHE   3   4.413   2.728  -4.915
   16    HE1  PHE   3           HE1      PHE   3   3.590   7.565  -5.266
   17    HE2  PHE   3           HE2      PHE   3   2.106   3.577  -5.005
   18    HZ   PHE   3           HZ       PHE   3   1.691   5.998  -5.182
   19    H    LEU   4           H        LEU   4   9.758   3.748  -3.699
   20    HA   LEU   4           HA       LEU   4  10.447   6.020  -2.128
   21    HB2  LEU   4           HB2      LEU   4  12.079   4.409  -2.062
   22    HB3  LEU   4           HB3      LEU   4  11.923   4.029  -3.776
   23    HG   LEU   4           HG       LEU   4  13.089   6.164  -4.295
   24   HD11  LEU   4          HD11      LEU   4  13.073   7.678  -2.648
   25   HD12  LEU   4          HD12      LEU   4  14.463   6.790  -2.025
   26   HD13  LEU   4          HD13      LEU   4  12.850   6.457  -1.395
   27   HD21  LEU   4          HD21      LEU   4  14.290   3.879  -2.853
   28   HD22  LEU   4          HD22      LEU   4  15.308   5.301  -3.080
   29   HD23  LEU   4          HD23      LEU   4  14.602   4.489  -4.478
   30    H    THR   5           H        THR   5  10.773   8.075  -2.704
   31    HA   THR   5           HA       THR   5  10.850   8.711  -5.582
   32    HB   THR   5           HB       THR   5   9.853  10.980  -4.742
   33    HG1  THR   5           HG1      THR   5   9.155   9.157  -2.670
   34   HG21  THR   5          HG21      THR   5   8.803   9.111  -6.187
   35   HG22  THR   5          HG22      THR   5   7.731  10.276  -5.410
   36   HG23  THR   5          HG23      THR   5   7.941   8.669  -4.714
   37    H    ARG   6           H        ARG   6  12.158  10.443  -6.238
   38    HA   ARG   6           HA       ARG   6  14.540  10.783  -4.712
   39    HB2  ARG   6           HB2      ARG   6  13.575  12.149  -7.230
   40    HB3  ARG   6           HB3      ARG   6  15.182  12.353  -6.546
   41    HG2  ARG   6           HG2      ARG   6  15.559  10.757  -8.150
   42    HG3  ARG   6           HG3      ARG   6  15.288   9.759  -6.719
   43    HD2  ARG   6           HD2      ARG   6  12.858  10.440  -8.215
   44    HD3  ARG   6           HD3      ARG   6  14.013   9.449  -9.106
   45    HE   ARG   6           HE       ARG   6  12.435   8.659  -6.828
   46   HH11  ARG   6          HH11      ARG   6  15.267   8.002  -8.743
   47   HH12  ARG   6          HH12      ARG   6  15.362   6.338  -8.269
   48   HH21  ARG   6          HH21      ARG   6  12.548   6.470  -6.197
   49   HH22  ARG   6          HH22      ARG   6  13.814   5.467  -6.822
   50    H    LEU   7           H        LEU   7  11.555  12.235  -4.492
   51    HA   LEU   7           HA       LEU   7  12.340  14.924  -3.937
   52    HB2  LEU   7           HB2      LEU   7  10.017  13.910  -4.596
   53    HB3  LEU   7           HB3      LEU   7   9.834  13.719  -2.853
   54    HG   LEU   7           HG       LEU   7  10.654  16.368  -3.230
   55   HD11  LEU   7          HD11      LEU   7   8.628  17.041  -4.723
   56   HD12  LEU   7          HD12      LEU   7   8.824  15.419  -5.389
   57   HD13  LEU   7          HD13      LEU   7  10.157  16.572  -5.468
   58   HD21  LEU   7          HD21      LEU   7   9.187  16.096  -1.518
   59   HD22  LEU   7          HD22      LEU   7   8.210  14.916  -2.393
   60   HD23  LEU   7          HD23      LEU   7   8.049  16.636  -2.752
   61    H    GLY   8           H        GLY   8  12.159  11.991  -2.099
   62    HA2  GLY   8           HA2      GLY   8  13.633  13.039   0.058
   63    HA3  GLY   8           HA3      GLY   8  11.931  13.025   0.496
   64    H    THR   9           H        THR   9  10.813  10.866   0.028
   65    HA   THR   9           HA       THR   9  12.455   8.513   0.100
   66    HB   THR   9           HB       THR   9  12.571   9.379   2.471
   67    HG1  THR   9           HG1      THR   9  12.666   7.335   3.104
   68   HG21  THR   9          HG21      THR   9   9.906   9.845   2.196
   69   HG22  THR   9          HG22      THR   9  10.738   9.701   3.744
   70   HG23  THR   9          HG23      THR   9   9.897   8.310   3.062
   71    H    TYR  10           H        TYR  10  10.669   6.739   1.253
   72    HA   TYR  10           HA       TYR  10   8.942   6.134  -0.809
   73    HB2  TYR  10           HB2      TYR  10   9.382   5.200   1.911
   74    HB3  TYR  10           HB3      TYR  10   7.691   5.075   1.440
   75    HD1  TYR  10           HD1      TYR  10   7.377   2.778   1.136
   76    HD2  TYR  10           HD2      TYR  10  10.720   4.678  -0.685
   77    HE1  TYR  10           HE1      TYR  10   7.872   0.709  -0.098
   78    HE2  TYR  10           HE2      TYR  10  11.224   2.615  -1.925
   79    HH   TYR  10           HH       TYR  10  10.306   0.601  -2.599
   80    H    VAL  11           H        VAL  11   7.038   6.878  -1.480
   81    HA   VAL  11           HA       VAL  11   5.318   8.338   0.393
   82    HB   VAL  11           HB       VAL  11   6.510  10.095  -0.735
   83   HG11  VAL  11          HG11      VAL  11   5.604   8.928  -3.361
   84   HG12  VAL  11          HG12      VAL  11   6.670  10.312  -3.109
   85   HG13  VAL  11          HG13      VAL  11   7.213   8.689  -2.680
   86   HG21  VAL  11          HG21      VAL  11   3.948  10.153  -0.439
   87   HG22  VAL  11          HG22      VAL  11   4.705  11.368  -1.469
   88   HG23  VAL  11          HG23      VAL  11   3.895   9.979  -2.194
   89    H    CYS  12           H        CYS  12   3.177   7.982   0.122
   90    HA   CYS  12           HA       CYS  12   2.304   6.561  -2.298
   91    HB2  CYS  12           HB2      CYS  12   0.686   5.572  -0.260
   92    HB3  CYS  12           HB3      CYS  12   1.986   4.710  -1.076
  Start of MODEL   10
    1    H1   ALA   1           H        ALA   1   3.056  -1.987  -1.771
    2    HA   ALA   1           HA       ALA   1   2.016  -0.083  -1.085
    3    HB1  ALA   1           HB1      ALA   1   3.238  -0.184   1.613
    4    HB2  ALA   1           HB2      ALA   1   1.561   0.083   1.136
    5    HB3  ALA   1           HB3      ALA   1   2.233  -1.548   1.121
    6    H    CYS   2           H        CYS   2   2.407   2.072  -1.210
    7    HA   CYS   2           HA       CYS   2   3.566   4.007  -1.501
    8    HB2  CYS   2           HB2      CYS   2   5.372   2.786   0.597
    9    HB3  CYS   2           HB3      CYS   2   5.417   4.468   0.081
   10    H    PHE   3           H        PHE   3   5.809   4.908  -2.093
   11    HA   PHE   3           HA       PHE   3   7.577   2.973  -3.340
   12    HB2  PHE   3           HB2      PHE   3   7.253   4.795  -5.406
   13    HB3  PHE   3           HB3      PHE   3   6.624   3.151  -5.364
   14    HD1  PHE   3           HD1      PHE   3   4.288   2.731  -4.759
   15    HD2  PHE   3           HD2      PHE   3   5.819   6.684  -5.142
   16    HE1  PHE   3           HE1      PHE   3   1.991   3.606  -4.875
   17    HE2  PHE   3           HE2      PHE   3   3.525   7.565  -5.258
   18    HZ   PHE   3           HZ       PHE   3   1.607   6.026  -5.123
   19    H    LEU   4           H        LEU   4   9.647   3.708  -3.572
   20    HA   LEU   4           HA       LEU   4  10.375   6.041  -2.105
   21    HB2  LEU   4           HB2      LEU   4  11.959   4.384  -1.941
   22    HB3  LEU   4           HB3      LEU   4  11.826   3.943  -3.642
   23    HG   LEU   4           HG       LEU   4  13.036   6.056  -4.206
   24   HD11  LEU   4          HD11      LEU   4  14.421   6.672  -1.938
   25   HD12  LEU   4          HD12      LEU   4  12.796   6.396  -1.312
   26   HD13  LEU   4          HD13      LEU   4  13.060   7.592  -2.581
   27   HD21  LEU   4          HD21      LEU   4  14.438   4.252  -4.342
   28   HD22  LEU   4          HD22      LEU   4  14.217   3.810  -2.649
   29   HD23  LEU   4          HD23      LEU   4  15.245   5.178  -3.076
   30    H    THR   5           H        THR   5  10.898   8.039  -2.789
   31    HA   THR   5           HA       THR   5  11.028   8.520  -5.691
   32    HB   THR   5           HB       THR   5   9.980  10.836  -5.002
   33    HG1  THR   5           HG1      THR   5   9.036  10.859  -3.104
   34   HG21  THR   5          HG21      THR   5   7.903  10.094  -5.796
   35   HG22  THR   5          HG22      THR   5   8.106   8.489  -5.093
   36   HG23  THR   5          HG23      THR   5   9.058   8.963  -6.500
   37    H    ARG   6           H        ARG   6  12.191  10.454  -6.312
   38    HA   ARG   6           HA       ARG   6  14.571  10.804  -4.759
   39    HB2  ARG   6           HB2      ARG   6  13.861  12.565  -7.076
   40    HB3  ARG   6           HB3      ARG   6  15.434  11.947  -6.590
   41    HG2  ARG   6           HG2      ARG   6  13.213  10.436  -7.942
   42    HG3  ARG   6           HG3      ARG   6  14.797  10.848  -8.601
   43    HD2  ARG   6           HD2      ARG   6  15.528   8.878  -7.878
   44    HD3  ARG   6           HD3      ARG   6  15.324   9.474  -6.231
   45    HE   ARG   6           HE       ARG   6  12.861   8.606  -6.793
   46   HH11  ARG   6          HH11      ARG   6  15.980   7.130  -7.261
   47   HH12  ARG   6          HH12      ARG   6  15.386   5.513  -7.080
   48   HH21  ARG   6          HH21      ARG   6  12.068   6.481  -6.552
   49   HH22  ARG   6          HH22      ARG   6  13.161   5.144  -6.678
   50    H    LEU   7           H        LEU   7  11.562  12.107  -4.461
   51    HA   LEU   7           HA       LEU   7  12.214  14.841  -3.940
   52    HB2  LEU   7           HB2      LEU   7   9.925  13.651  -4.505
   53    HB3  LEU   7           HB3      LEU   7   9.811  13.549  -2.749
   54    HG   LEU   7           HG       LEU   7  10.491  16.216  -3.358
   55   HD11  LEU   7          HD11      LEU   7   8.274  15.149  -5.096
   56   HD12  LEU   7          HD12      LEU   7   9.777  15.898  -5.632
   57   HD13  LEU   7          HD13      LEU   7   8.570  16.858  -4.778
   58   HD21  LEU   7          HD21      LEU   7   9.130  15.301  -1.474
   59   HD22  LEU   7          HD22      LEU   7   7.796  15.097  -2.609
   60   HD23  LEU   7          HD23      LEU   7   8.424  16.709  -2.267
   61    H    GLY   8           H        GLY   8  12.222  11.906  -2.088
   62    HA2  GLY   8           HA2      GLY   8  13.760  12.942  -0.006
   63    HA3  GLY   8           HA3      GLY   8  12.081  13.029   0.504
   64    H    THR   9           H        THR   9  10.853  10.876   0.000
   65    HA   THR   9           HA       THR   9  12.398   8.470   0.163
   66    HB   THR   9           HB       THR   9  10.788   8.370   2.531
   67    HG1  THR   9           HG1      THR   9  11.295  10.168   3.529
   68   HG21  THR   9          HG21      THR   9  12.500   6.861   2.549
   69   HG22  THR   9          HG22      THR   9  13.279   8.159   3.454
   70   HG23  THR   9          HG23      THR   9  13.619   7.955   1.736
   71    H    TYR  10           H        TYR  10  10.612   6.732   1.243
   72    HA   TYR  10           HA       TYR  10   8.849   6.167  -0.770
   73    HB2  TYR  10           HB2      TYR  10   9.216   5.297   1.990
   74    HB3  TYR  10           HB3      TYR  10   7.539   5.190   1.469
   75    HD1  TYR  10           HD1      TYR  10  10.575   4.707  -0.614
   76    HD2  TYR  10           HD2      TYR  10   7.238   2.868   1.279
   77    HE1  TYR  10           HE1      TYR  10  11.079   2.603  -1.783
   78    HE2  TYR  10           HE2      TYR  10   7.733   0.758   0.116
   79    HH   TYR  10           HH       TYR  10   8.895  -0.087  -1.748
   80    H    VAL  11           H        VAL  11   6.989   6.978  -1.481
   81    HA   VAL  11           HA       VAL  11   5.316   8.553   0.347
   82    HB   VAL  11           HB       VAL  11   6.555  10.226  -0.846
   83   HG11  VAL  11          HG11      VAL  11   7.269   8.767  -2.716
   84   HG12  VAL  11          HG12      VAL  11   5.656   8.924  -3.413
   85   HG13  VAL  11          HG13      VAL  11   6.688  10.345  -3.248
   86   HG21  VAL  11          HG21      VAL  11   3.948  10.118  -2.319
   87   HG22  VAL  11          HG22      VAL  11   3.995  10.377  -0.575
   88   HG23  VAL  11          HG23      VAL  11   4.794  11.517  -1.657
   89    H    CYS  12           H        CYS  12   3.187   8.170   0.155
   90    HA   CYS  12           HA       CYS  12   2.235   6.740  -2.234
   91    HB2  CYS  12           HB2      CYS  12   0.632   5.823  -0.154
   92    HB3  CYS  12           HB3      CYS  12   1.908   4.921  -0.966
  Start of MODEL   11
    1    H1   ALA   1           H        ALA   1   2.081   0.202  -2.165
    2    HA   ALA   1           HA       ALA   1   2.391  -0.250   0.410
    3    HB1  ALA   1           HB1      ALA   1   3.187  -2.559  -0.226
    4    HB2  ALA   1           HB2      ALA   1   4.675  -1.797  -0.790
    5    HB3  ALA   1           HB3      ALA   1   4.211  -1.677   0.908
    6    H    CYS   2           H        CYS   2   2.541   1.939  -1.127
    7    HA   CYS   2           HA       CYS   2   3.663   3.893  -1.433
    8    HB2  CYS   2           HB2      CYS   2   5.509   2.711   0.653
    9    HB3  CYS   2           HB3      CYS   2   5.519   4.393   0.132
   10    H    PHE   3           H        PHE   3   5.886   4.831  -2.045
   11    HA   PHE   3           HA       PHE   3   7.677   2.924  -3.301
   12    HB2  PHE   3           HB2      PHE   3   7.304   4.734  -5.370
   13    HB3  PHE   3           HB3      PHE   3   6.705   3.080  -5.318
   14    HD1  PHE   3           HD1      PHE   3   5.839   6.598  -5.096
   15    HD2  PHE   3           HD2      PHE   3   4.381   2.619  -4.696
   16    HE1  PHE   3           HE1      PHE   3   3.529   7.439  -5.195
   17    HE2  PHE   3           HE2      PHE   3   2.069   3.453  -4.795
   18    HZ   PHE   3           HZ       PHE   3   1.640   5.865  -5.046
   19    H    LEU   4           H        LEU   4   9.732   3.696  -3.555
   20    HA   LEU   4           HA       LEU   4  10.431   6.044  -2.099
   21    HB2  LEU   4           HB2      LEU   4  12.049   4.419  -1.948
   22    HB3  LEU   4           HB3      LEU   4  11.905   3.970  -3.647
   23    HG   LEU   4           HG       LEU   4  13.071   6.101  -4.231
   24   HD11  LEU   4          HD11      LEU   4  14.080   7.450  -2.619
   25   HD12  LEU   4          HD12      LEU   4  13.856   6.255  -1.342
   26   HD13  LEU   4          HD13      LEU   4  12.468   7.143  -1.970
   27   HD21  LEU   4          HD21      LEU   4  14.507   4.326  -4.374
   28   HD22  LEU   4          HD22      LEU   4  14.306   3.882  -2.679
   29   HD23  LEU   4          HD23      LEU   4  15.306   5.268  -3.116
   30    H    THR   5           H        THR   5  10.920   8.050  -2.790
   31    HA   THR   5           HA       THR   5  11.004   8.530  -5.694
   32    HB   THR   5           HB       THR   5   9.931  10.831  -4.992
   33    HG1  THR   5           HG1      THR   5   9.239   9.057  -2.891
   34   HG21  THR   5          HG21      THR   5   7.855  10.057  -5.758
   35   HG22  THR   5          HG22      THR   5   8.093   8.455  -5.059
   36   HG23  THR   5          HG23      THR   5   9.018   8.945  -6.478
   37    H    ARG   6           H        ARG   6  12.128  10.482  -6.331
   38    HA   ARG   6           HA       ARG   6  14.524  10.869  -4.809
   39    HB2  ARG   6           HB2      ARG   6  13.759  12.615  -7.119
   40    HB3  ARG   6           HB3      ARG   6  15.347  12.021  -6.653
   41    HG2  ARG   6           HG2      ARG   6  13.131  10.475  -7.973
   42    HG3  ARG   6           HG3      ARG   6  14.700  10.910  -8.655
   43    HD2  ARG   6           HD2      ARG   6  15.470   8.952  -7.938
   44    HD3  ARG   6           HD3      ARG   6  15.278   9.547  -6.289
   45    HE   ARG   6           HE       ARG   6  12.822   8.641  -6.821
   46   HH11  ARG   6          HH11      ARG   6  15.958   7.213  -7.322
   47   HH12  ARG   6          HH12      ARG   6  15.392   5.587  -7.131
   48   HH21  ARG   6          HH21      ARG   6  12.065   6.504  -6.568
   49   HH22  ARG   6          HH22      ARG   6  13.178   5.184  -6.703
   50    H    LEU   7           H        LEU   7  11.501  12.124  -4.470
   51    HA   LEU   7           HA       LEU   7  12.118  14.870  -3.963
   52    HB2  LEU   7           HB2      LEU   7   9.841  13.651  -4.501
   53    HB3  LEU   7           HB3      LEU   7   9.750  13.540  -2.744
   54    HG   LEU   7           HG       LEU   7  10.371  16.229  -3.694
   55   HD11  LEU   7          HD11      LEU   7   8.103  16.694  -4.516
   56   HD12  LEU   7          HD12      LEU   7   7.742  14.969  -4.465
   57   HD13  LEU   7          HD13      LEU   7   8.977  15.579  -5.566
   58   HD21  LEU   7          HD21      LEU   7   8.542  14.894  -1.750
   59   HD22  LEU   7          HD22      LEU   7   8.243  16.568  -2.218
   60   HD23  LEU   7          HD23      LEU   7   9.778  16.121  -1.473
   61    H    GLY   8           H        GLY   8  12.187  11.938  -2.106
   62    HA2  GLY   8           HA2      GLY   8  13.738  12.999  -0.045
   63    HA3  GLY   8           HA3      GLY   8  12.064  13.064   0.485
   64    H    THR   9           H        THR   9  10.861  10.892  -0.008
   65    HA   THR   9           HA       THR   9  12.443   8.509   0.146
   66    HB   THR   9           HB       THR   9  10.855   8.388   2.527
   67    HG1  THR   9           HG1      THR   9  11.158  10.341   3.277
   68   HG21  THR   9          HG21      THR   9  12.592   6.906   2.530
   69   HG22  THR   9          HG22      THR   9  13.353   8.216   3.433
   70   HG23  THR   9          HG23      THR   9  13.687   8.020   1.713
   71    H    TYR  10           H        TYR  10  10.693   6.746   1.244
   72    HA   TYR  10           HA       TYR  10   8.922   6.151  -0.754
   73    HB2  TYR  10           HB2      TYR  10   9.322   5.293   2.006
   74    HB3  TYR  10           HB3      TYR  10   7.644   5.157   1.495
   75    HD1  TYR  10           HD1      TYR  10  10.674   4.719  -0.606
   76    HD2  TYR  10           HD2      TYR  10   7.380   2.830   1.312
   77    HE1  TYR  10           HE1      TYR  10  11.205   2.621  -1.774
   78    HE2  TYR  10           HE2      TYR  10   7.902   0.727   0.151
   79    HH   TYR  10           HH       TYR  10  10.586   0.524  -2.166
   80    H    VAL  11           H        VAL  11   7.030   6.911  -1.442
   81    HA   VAL  11           HA       VAL  11   5.353   8.470   0.393
   82    HB   VAL  11           HB       VAL  11   6.553  10.163  -0.810
   83   HG11  VAL  11          HG11      VAL  11   5.654   8.859  -3.375
   84   HG12  VAL  11          HG12      VAL  11   6.688  10.279  -3.205
   85   HG13  VAL  11          HG13      VAL  11   7.269   8.697  -2.685
   86   HG21  VAL  11          HG21      VAL  11   3.998  10.278  -0.521
   87   HG22  VAL  11          HG22      VAL  11   4.766  11.422  -1.622
   88   HG23  VAL  11          HG23      VAL  11   3.935  10.004  -2.262
   89    H    CYS  12           H        CYS  12   3.230   8.049   0.221
   90    HA   CYS  12           HA       CYS  12   2.283   6.602  -2.160
   91    HB2  CYS  12           HB2      CYS  12   0.710   5.663  -0.067
   92    HB3  CYS  12           HB3      CYS  12   1.995   4.780  -0.886
  Start of MODEL   12
    1    H1   ALA   1           H        ALA   1   2.083  -0.372  -2.290
    2    HA   ALA   1           HA       ALA   1   2.116  -0.057   0.093
    3    HB1  ALA   1           HB1      ALA   1   3.548  -1.232   1.502
    4    HB2  ALA   1           HB2      ALA   1   3.111  -2.422   0.275
    5    HB3  ALA   1           HB3      ALA   1   4.675  -1.612   0.199
    6    H    CYS   2           H        CYS   2   2.500   1.979  -1.118
    7    HA   CYS   2           HA       CYS   2   3.631   3.927  -1.428
    8    HB2  CYS   2           HB2      CYS   2   5.469   2.742   0.662
    9    HB3  CYS   2           HB3      CYS   2   5.488   4.422   0.137
   10    H    PHE   3           H        PHE   3   5.860   4.854  -2.040
   11    HA   PHE   3           HA       PHE   3   7.642   2.936  -3.291
   12    HB2  PHE   3           HB2      PHE   3   7.280   4.743  -5.364
   13    HB3  PHE   3           HB3      PHE   3   6.671   3.092  -5.308
   14    HD1  PHE   3           HD1      PHE   3   5.826   6.616  -5.096
   15    HD2  PHE   3           HD2      PHE   3   4.344   2.647  -4.685
   16    HE1  PHE   3           HE1      PHE   3   3.521   7.470  -5.198
   17    HE2  PHE   3           HE2      PHE   3   2.037   3.494  -4.788
   18    HZ   PHE   3           HZ       PHE   3   1.623   5.908  -5.046
   19    H    LEU   4           H        LEU   4   9.701   3.697  -3.543
   20    HA   LEU   4           HA       LEU   4  10.411   6.043  -2.091
   21    HB2  LEU   4           HB2      LEU   4  12.021   4.410  -1.938
   22    HB3  LEU   4           HB3      LEU   4  11.875   3.960  -3.636
   23    HG   LEU   4           HG       LEU   4  13.053   6.082  -4.224
   24   HD11  LEU   4          HD11      LEU   4  12.449   7.122  -1.954
   25   HD12  LEU   4          HD12      LEU   4  14.049   7.443  -2.622
   26   HD13  LEU   4          HD13      LEU   4  13.852   6.246  -1.341
   27   HD21  LEU   4          HD21      LEU   4  14.480   4.299  -4.357
   28   HD22  LEU   4          HD22      LEU   4  14.277   3.865  -2.660
   29   HD23  LEU   4          HD23      LEU   4  15.282   5.245  -3.103
   30    H    THR   5           H        THR   5  10.913   8.045  -2.784
   31    HA   THR   5           HA       THR   5  10.997   8.521  -5.689
   32    HB   THR   5           HB       THR   5   9.940  10.830  -4.987
   33    HG1  THR   5           HG1      THR   5   9.910  10.184  -2.717
   34   HG21  THR   5          HG21      THR   5   7.860  10.071  -5.755
   35   HG22  THR   5          HG22      THR   5   8.085   8.468  -5.055
   36   HG23  THR   5          HG23      THR   5   9.015   8.949  -6.473
   37    H    ARG   6           H        ARG   6  12.132  10.466  -6.329
   38    HA   ARG   6           HA       ARG   6  14.531  10.841  -4.809
   39    HB2  ARG   6           HB2      ARG   6  13.779  12.586  -7.124
   40    HB3  ARG   6           HB3      ARG   6  15.362  11.980  -6.656
   41    HG2  ARG   6           HG2      ARG   6  13.135  10.448  -7.971
   42    HG3  ARG   6           HG3      ARG   6  14.706  10.870  -8.656
   43    HD2  ARG   6           HD2      ARG   6  15.466   8.910  -7.934
   44    HD3  ARG   6           HD3      ARG   6  15.275   9.509  -6.286
   45    HE   ARG   6           HE       ARG   6  12.815   8.616  -6.819
   46   HH11  ARG   6          HH11      ARG   6  15.943   7.169  -7.312
   47   HH12  ARG   6          HH12      ARG   6  15.368   5.547  -7.119
   48   HH21  ARG   6          HH21      ARG   6  12.045   6.484  -6.563
   49   HH22  ARG   6          HH22      ARG   6  13.150   5.158  -6.693
   50    H    LEU   7           H        LEU   7  11.517  12.114  -4.471
   51    HA   LEU   7           HA       LEU   7  12.153  14.858  -3.972
   52    HB2  LEU   7           HB2      LEU   7   9.854  13.522  -4.428
   53    HB3  LEU   7           HB3      LEU   7   9.780  13.683  -2.674
   54    HG   LEU   7           HG       LEU   7   8.550  15.467  -3.806
   55   HD11  LEU   7          HD11      LEU   7   9.268  17.173  -2.432
   56   HD12  LEU   7          HD12      LEU   7  10.972  16.774  -2.647
   57   HD13  LEU   7          HD13      LEU   7   9.949  15.754  -1.636
   58   HD21  LEU   7          HD21      LEU   7  10.311  15.401  -5.761
   59   HD22  LEU   7          HD22      LEU   7  11.087  16.663  -4.804
   60   HD23  LEU   7          HD23      LEU   7   9.432  16.880  -5.375
   61    H    GLY   8           H        GLY   8  12.197  11.929  -2.108
   62    HA2  GLY   8           HA2      GLY   8  13.753  12.986  -0.046
   63    HA3  GLY   8           HA3      GLY   8  12.078  13.059   0.481
   64    H    THR   9           H        THR   9  10.864  10.894  -0.007
   65    HA   THR   9           HA       THR   9  12.434   8.503   0.151
   66    HB   THR   9           HB       THR   9  10.843   8.394   2.531
   67    HG1  THR   9           HG1      THR   9  11.684  10.057   3.703
   68   HG21  THR   9          HG21      THR   9  12.575   6.902   2.526
   69   HG22  THR   9          HG22      THR   9  13.332   8.203   3.445
   70   HG23  THR   9          HG23      THR   9  13.680   8.019   1.726
   71    H    TYR  10           H        TYR  10  10.674   6.751   1.250
   72    HA   TYR  10           HA       TYR  10   8.903   6.162  -0.749
   73    HB2  TYR  10           HB2      TYR  10   9.296   5.306   2.012
   74    HB3  TYR  10           HB3      TYR  10   7.617   5.178   1.500
   75    HD1  TYR  10           HD1      TYR  10   7.342   2.852   1.323
   76    HD2  TYR  10           HD2      TYR  10  10.648   4.720  -0.596
   77    HE1  TYR  10           HE1      TYR  10   7.853   0.743   0.165
   78    HE2  TYR  10           HE2      TYR  10  11.168   2.617  -1.760
   79    HH   TYR  10           HH       TYR  10  10.393  -0.168  -0.960
   80    H    VAL  11           H        VAL  11   7.015   6.930  -1.440
   81    HA   VAL  11           HA       VAL  11   5.344   8.501   0.390
   82    HB   VAL  11           HB       VAL  11   6.554  10.185  -0.815
   83   HG11  VAL  11          HG11      VAL  11   7.283   8.739  -2.684
   84   HG12  VAL  11          HG12      VAL  11   5.661   8.852  -3.369
   85   HG13  VAL  11          HG13      VAL  11   6.661  10.298  -3.223
   86   HG21  VAL  11          HG21      VAL  11   4.005  10.322  -0.524
   87   HG22  VAL  11          HG22      VAL  11   4.773  11.449  -1.641
   88   HG23  VAL  11          HG23      VAL  11   3.931  10.029  -2.262
   89    H    CYS  12           H        CYS  12   3.218   8.093   0.215
   90    HA   CYS  12           HA       CYS  12   2.266   6.644  -2.162
   91    HB2  CYS  12           HB2      CYS  12   0.687   5.718  -0.068
   92    HB3  CYS  12           HB3      CYS  12   1.967   4.826  -0.885
  Start of MODEL   13
    1    H1   ALA   1           H        ALA   1   0.089   0.028  -0.572
    2    HA   ALA   1           HA       ALA   1   2.800  -0.590  -0.854
    3    HB1  ALA   1           HB1      ALA   1   1.994   0.146  -3.388
    4    HB2  ALA   1           HB2      ALA   1   1.848  -1.460  -2.672
    5    HB3  ALA   1           HB3      ALA   1   0.492  -0.335  -2.598
    6    H    CYS   2           H        CYS   2   4.321   0.869  -0.313
    7    HA   CYS   2           HA       CYS   2   4.080   3.613  -1.317
    8    HB2  CYS   2           HB2      CYS   2   5.948   2.413   0.738
    9    HB3  CYS   2           HB3      CYS   2   5.954   4.103   0.244
   10    H    PHE   3           H        PHE   3   6.193   4.639  -2.010
   11    HA   PHE   3           HA       PHE   3   8.074   2.818  -3.273
   12    HB2  PHE   3           HB2      PHE   3   7.575   4.615  -5.333
   13    HB3  PHE   3           HB3      PHE   3   7.080   2.926  -5.281
   14    HD1  PHE   3           HD1      PHE   3   6.002   6.379  -5.073
   15    HD2  PHE   3           HD2      PHE   3   4.798   2.325  -4.594
   16    HE1  PHE   3           HE1      PHE   3   3.643   7.076  -5.140
   17    HE2  PHE   3           HE2      PHE   3   2.437   3.015  -4.662
   18    HZ   PHE   3           HZ       PHE   3   1.857   5.392  -4.936
   19    H    LEU   4           H        LEU   4  10.088   3.674  -3.494
   20    HA   LEU   4           HA       LEU   4  10.679   6.069  -2.076
   21    HB2  LEU   4           HB2      LEU   4  12.369   4.517  -1.918
   22    HB3  LEU   4           HB3      LEU   4  12.246   4.056  -3.614
   23    HG   LEU   4           HG       LEU   4  13.310   6.238  -4.206
   24   HD11  LEU   4          HD11      LEU   4  12.982   6.649  -1.362
   25   HD12  LEU   4          HD12      LEU   4  13.365   7.808  -2.635
   26   HD13  LEU   4          HD13      LEU   4  14.655   6.881  -1.869
   27   HD21  LEU   4          HD21      LEU   4  14.656   4.095  -2.634
   28   HD22  LEU   4          HD22      LEU   4  15.584   5.520  -3.102
   29   HD23  LEU   4          HD23      LEU   4  14.821   4.519  -4.338
   30    H    THR   5           H        THR   5  11.039   8.091  -2.784
   31    HA   THR   5           HA       THR   5  11.114   8.549  -5.692
   32    HB   THR   5           HB       THR   5   9.915  10.796  -5.010
   33    HG1  THR   5           HG1      THR   5   9.343  10.740  -2.973
   34   HG21  THR   5          HG21      THR   5   7.893   9.908  -5.792
   35   HG22  THR   5          HG22      THR   5   8.204   8.328  -5.075
   36   HG23  THR   5          HG23      THR   5   9.117   8.849  -6.490
   37    H    ARG   6           H        ARG   6  12.139  10.547  -6.345
   38    HA   ARG   6           HA       ARG   6  14.498  11.083  -4.811
   39    HB2  ARG   6           HB2      ARG   6  13.662  12.754  -7.151
   40    HB3  ARG   6           HB3      ARG   6  15.274  12.249  -6.665
   41    HG2  ARG   6           HG2      ARG   6  13.152  10.572  -7.978
   42    HG3  ARG   6           HG3      ARG   6  14.699  11.081  -8.657
   43    HD2  ARG   6           HD2      ARG   6  15.576   9.182  -7.905
   44    HD3  ARG   6           HD3      ARG   6  15.326   9.780  -6.265
   45    HE   ARG   6           HE       ARG   6  12.933   8.730  -6.822
   46   HH11  ARG   6          HH11      ARG   6  16.151   7.479  -7.268
   47   HH12  ARG   6          HH12      ARG   6  15.676   5.825  -7.069
   48   HH21  ARG   6          HH21      ARG   6  12.295   6.556  -6.559
   49   HH22  ARG   6          HH22      ARG   6  13.482   5.301  -6.667
   50    H    LEU   7           H        LEU   7  11.408  12.179  -4.515
   51    HA   LEU   7           HA       LEU   7  11.903  14.959  -4.019
   52    HB2  LEU   7           HB2      LEU   7   9.679  13.513  -4.547
   53    HB3  LEU   7           HB3      LEU   7   9.537  13.698  -2.801
   54    HG   LEU   7           HG       LEU   7   8.275  15.411  -4.005
   55   HD11  LEU   7          HD11      LEU   7   8.854  17.147  -2.617
   56   HD12  LEU   7          HD12      LEU   7  10.584  16.865  -2.802
   57   HD13  LEU   7          HD13      LEU   7   9.619  15.785  -1.796
   58   HD21  LEU   7          HD21      LEU   7  10.316  17.117  -4.926
   59   HD22  LEU   7          HD22      LEU   7   9.085  16.284  -5.877
   60   HD23  LEU   7          HD23      LEU   7  10.651  15.520  -5.596
   61    H    GLY   8           H        GLY   8  12.042  12.036  -2.163
   62    HA2  GLY   8           HA2      GLY   8  13.438  13.198  -0.034
   63    HA3  GLY   8           HA3      GLY   8  11.743  13.112   0.425
   64    H    THR   9           H        THR   9  10.723  10.895   0.023
   65    HA   THR   9           HA       THR   9  12.470   8.621   0.115
   66    HB   THR   9           HB       THR   9  10.932   8.386   2.523
   67    HG1  THR   9           HG1      THR   9  11.143  10.702   2.565
   68   HG21  THR   9          HG21      THR   9  12.796   7.332   3.202
   69   HG22  THR   9          HG22      THR   9  13.829   8.698   2.782
   70   HG23  THR   9          HG23      THR   9  13.349   7.541   1.542
   71    H    TYR  10           H        TYR  10  10.860   6.740   1.239
   72    HA   TYR  10           HA       TYR  10   9.105   6.026  -0.733
   73    HB2  TYR  10           HB2      TYR  10   9.591   5.205   2.027
   74    HB3  TYR  10           HB3      TYR  10   7.923   4.948   1.526
   75    HD1  TYR  10           HD1      TYR  10   7.829   2.606   1.355
   76    HD2  TYR  10           HD2      TYR  10  10.963   4.725  -0.593
   77    HE1  TYR  10           HE1      TYR  10   8.494   0.543   0.194
   78    HE2  TYR  10           HE2      TYR  10  11.636   2.667  -1.761
   79    HH   TYR  10           HH       TYR  10   9.978   0.241  -2.318
   80    H    VAL  11           H        VAL  11   7.302   6.899  -1.481
   81    HA   VAL  11           HA       VAL  11   5.509   8.285   0.400
   82    HB   VAL  11           HB       VAL  11   6.596  10.018  -0.853
   83   HG11  VAL  11          HG11      VAL  11   6.640  10.100  -3.267
   84   HG12  VAL  11          HG12      VAL  11   7.373   8.592  -2.717
   85   HG13  VAL  11          HG13      VAL  11   5.733   8.592  -3.366
   86   HG21  VAL  11          HG21      VAL  11   3.967   9.703  -2.255
   87   HG22  VAL  11          HG22      VAL  11   4.039   9.996  -0.517
   88   HG23  VAL  11          HG23      VAL  11   4.730  11.168  -1.639
   89    H    CYS  12           H        CYS  12   3.420   7.717   0.294
   90    HA   CYS  12           HA       CYS  12   2.497   6.207  -2.056
   91    HB2  CYS  12           HB2      CYS  12   1.044   5.185   0.086
   92    HB3  CYS  12           HB3      CYS  12   2.351   4.376  -0.772
  Start of MODEL   14
    1    H1   ALA   1           H        ALA   1   0.960  -0.835  -0.415
    2    HA   ALA   1           HA       ALA   1   3.037  -0.481   0.972
    3    HB1  ALA   1           HB1      ALA   1   4.907  -1.551   0.408
    4    HB2  ALA   1           HB2      ALA   1   3.920  -2.481  -0.720
    5    HB3  ALA   1           HB3      ALA   1   4.779  -1.045  -1.277
    6    H    CYS   2           H        CYS   2   4.894   1.086   0.099
    7    HA   CYS   2           HA       CYS   2   3.518   3.054  -1.601
    8    HB2  CYS   2           HB2      CYS   2   5.482   3.357   0.661
    9    HB3  CYS   2           HB3      CYS   2   5.192   4.664  -0.484
   10    H    PHE   3           H        PHE   3   5.418   4.694  -2.415
   11    HA   PHE   3           HA       PHE   3   7.429   3.013  -3.757
   12    HB2  PHE   3           HB2      PHE   3   7.026   5.015  -5.561
   13    HB3  PHE   3           HB3      PHE   3   6.252   3.436  -5.641
   14    HD1  PHE   3           HD1      PHE   3   5.793   6.979  -5.007
   15    HD2  PHE   3           HD2      PHE   3   3.930   3.154  -4.912
   16    HE1  PHE   3           HE1      PHE   3   3.587   8.061  -4.868
   17    HE2  PHE   3           HE2      PHE   3   1.721   4.229  -4.774
   18    HZ   PHE   3           HZ       PHE   3   1.548   6.686  -4.752
   19    H    LEU   4           H        LEU   4   9.449   3.912  -4.086
   20    HA   LEU   4           HA       LEU   4  10.136   6.075  -2.306
   21    HB2  LEU   4           HB2      LEU   4  11.734   4.413  -2.271
   22    HB3  LEU   4           HB3      LEU   4  11.646   4.149  -4.011
   23    HG   LEU   4           HG       LEU   4  12.839   6.309  -4.338
   24   HD11  LEU   4          HD11      LEU   4  13.141   7.730  -2.666
   25   HD12  LEU   4          HD12      LEU   4  13.996   6.502  -1.733
   26   HD13  LEU   4          HD13      LEU   4  12.243   6.642  -1.606
   27   HD21  LEU   4          HD21      LEU   4  14.165   4.146  -2.715
   28   HD22  LEU   4          HD22      LEU   4  15.046   5.455  -3.503
   29   HD23  LEU   4          HD23      LEU   4  14.119   4.307  -4.471
   30    H    THR   5           H        THR   5  10.971   8.072  -2.860
   31    HA   THR   5           HA       THR   5  10.936   8.801  -5.706
   32    HB   THR   5           HB       THR   5   9.946  11.044  -4.968
   33    HG1  THR   5           HG1      THR   5   9.814  11.091  -2.831
   34   HG21  THR   5          HG21      THR   5   8.018   8.769  -4.622
   35   HG22  THR   5          HG22      THR   5   8.777   9.094  -6.181
   36   HG23  THR   5          HG23      THR   5   7.768  10.322  -5.418
   37    H    ARG   6           H        ARG   6  12.264  10.577  -6.271
   38    HA   ARG   6           HA       ARG   6  14.628  10.796  -4.667
   39    HB2  ARG   6           HB2      ARG   6  13.817  12.220  -7.208
   40    HB3  ARG   6           HB3      ARG   6  15.411  12.313  -6.472
   41    HG2  ARG   6           HG2      ARG   6  15.736  10.716  -8.086
   42    HG3  ARG   6           HG3      ARG   6  15.357   9.719  -6.679
   43    HD2  ARG   6           HD2      ARG   6  13.017  10.568  -8.223
   44    HD3  ARG   6           HD3      ARG   6  14.137   9.540  -9.116
   45    HE   ARG   6           HE       ARG   6  12.419   8.756  -6.965
   46   HH11  ARG   6          HH11      ARG   6  15.425   8.068  -8.582
   47   HH12  ARG   6          HH12      ARG   6  15.457   6.406  -8.094
   48   HH21  ARG   6          HH21      ARG   6  12.450   6.569  -6.317
   49   HH22  ARG   6          HH22      ARG   6  13.764   5.554  -6.807
   50    H    LEU   7           H        LEU   7  11.698  12.260  -4.421
   51    HA   LEU   7           HA       LEU   7  12.529  14.955  -3.885
   52    HB2  LEU   7           HB2      LEU   7  10.205  14.021  -4.624
   53    HB3  LEU   7           HB3      LEU   7   9.961  13.797  -2.893
   54    HG   LEU   7           HG       LEU   7  10.585  16.310  -2.732
   55   HD11  LEU   7          HD11      LEU   7   9.693  17.479  -4.838
   56   HD12  LEU   7          HD12      LEU   7  10.035  15.955  -5.656
   57   HD13  LEU   7          HD13      LEU   7  11.338  16.845  -4.868
   58   HD21  LEU   7          HD21      LEU   7   8.031  16.521  -3.869
   59   HD22  LEU   7          HD22      LEU   7   8.439  16.306  -2.166
   60   HD23  LEU   7          HD23      LEU   7   8.127  14.899  -3.184
   61    H    GLY   8           H        GLY   8  12.134  12.026  -2.047
   62    HA2  GLY   8           HA2      GLY   8  13.584  13.052   0.161
   63    HA3  GLY   8           HA3      GLY   8  11.867  13.027   0.535
   64    H    THR   9           H        THR   9  10.786  10.856  -0.059
   65    HA   THR   9           HA       THR   9  12.374   8.498  -0.010
   66    HB   THR   9           HB       THR   9  12.637   9.319   2.363
   67    HG1  THR   9           HG1      THR   9  12.966   7.153   2.032
   68   HG21  THR   9          HG21      THR   9  10.865   9.418   3.840
   69   HG22  THR   9          HG22      THR   9   9.854   8.353   2.863
   70   HG23  THR   9          HG23      THR   9  10.114  10.024   2.365
   71    H    TYR  10           H        TYR  10  10.613   6.744   1.227
   72    HA   TYR  10           HA       TYR  10   8.757   6.220  -0.757
   73    HB2  TYR  10           HB2      TYR  10   9.399   5.163   1.861
   74    HB3  TYR  10           HB3      TYR  10   7.663   5.120   1.573
   75    HD1  TYR  10           HD1      TYR  10   7.255   2.833   1.254
   76    HD2  TYR  10           HD2      TYR  10  10.393   4.717  -0.916
   77    HE1  TYR  10           HE1      TYR  10   7.528   0.800  -0.104
   78    HE2  TYR  10           HE2      TYR  10  10.674   2.690  -2.280
   79    HH   TYR  10           HH       TYR  10   8.518  -0.091  -1.906
   80    H    VAL  11           H        VAL  11   7.091   7.413  -1.380
   81    HA   VAL  11           HA       VAL  11   5.312   8.535   0.670
   82    HB   VAL  11           HB       VAL  11   6.509  10.461   0.036
   83   HG11  VAL  11          HG11      VAL  11   6.156   9.670  -2.854
   84   HG12  VAL  11          HG12      VAL  11   7.016  11.087  -2.248
   85   HG13  VAL  11          HG13      VAL  11   7.637   9.469  -1.918
   86   HG21  VAL  11          HG21      VAL  11   4.091  10.440  -1.764
   87   HG22  VAL  11          HG22      VAL  11   4.030  10.672  -0.017
   88   HG23  VAL  11          HG23      VAL  11   4.864  11.847  -1.034
   89    H    CYS  12           H        CYS  12   3.631   7.167   0.355
   90    HA   CYS  12           HA       CYS  12   2.775   5.987  -1.981
   91    HB2  CYS  12           HB2      CYS  12   1.509   6.653   0.613
   92    HB3  CYS  12           HB3      CYS  12   0.409   6.306  -0.716
  Start of MODEL   15
    1    H1   ALA   1           H        ALA   1   0.735   1.429  -0.234
    2    HA   ALA   1           HA       ALA   1   2.726  -0.391  -1.068
    3    HB1  ALA   1           HB1      ALA   1   2.435  -0.201  -3.510
    4    HB2  ALA   1           HB2      ALA   1   1.113  -1.074  -2.733
    5    HB3  ALA   1           HB3      ALA   1   0.886   0.599  -3.242
    6    H    CYS   2           H        CYS   2   4.290   0.972  -0.409
    7    HA   CYS   2           HA       CYS   2   4.237   3.756  -1.311
    8    HB2  CYS   2           HB2      CYS   2   6.031   2.375   0.697
    9    HB3  CYS   2           HB3      CYS   2   6.069   4.093   0.314
   10    H    PHE   3           H        PHE   3   6.368   4.706  -1.973
   11    HA   PHE   3           HA       PHE   3   8.232   2.867  -3.222
   12    HB2  PHE   3           HB2      PHE   3   7.727   4.712  -5.275
   13    HB3  PHE   3           HB3      PHE   3   7.337   2.995  -5.269
   14    HD1  PHE   3           HD1      PHE   3   5.087   2.231  -4.762
   15    HD2  PHE   3           HD2      PHE   3   6.039   6.378  -4.889
   16    HE1  PHE   3           HE1      PHE   3   2.690   2.775  -4.863
   17    HE2  PHE   3           HE2      PHE   3   3.643   6.928  -4.990
   18    HZ   PHE   3           HZ       PHE   3   1.965   5.126  -4.976
   19    H    LEU   4           H        LEU   4  10.256   3.679  -3.312
   20    HA   LEU   4           HA       LEU   4  10.833   6.097  -1.944
   21    HB2  LEU   4           HB2      LEU   4  12.497   4.532  -1.701
   22    HB3  LEU   4           HB3      LEU   4  12.421   4.034  -3.390
   23    HG   LEU   4           HG       LEU   4  13.545   6.166  -4.007
   24   HD11  LEU   4          HD11      LEU   4  13.106   7.666  -2.295
   25   HD12  LEU   4          HD12      LEU   4  14.792   7.233  -2.017
   26   HD13  LEU   4          HD13      LEU   4  13.522   6.506  -1.033
   27   HD21  LEU   4          HD21      LEU   4  15.771   5.497  -3.162
   28   HD22  LEU   4          HD22      LEU   4  14.846   4.146  -3.818
   29   HD23  LEU   4          HD23      LEU   4  14.984   4.356  -2.072
   30    H    THR   5           H        THR   5  10.535   8.057  -2.756
   31    HA   THR   5           HA       THR   5  10.828   8.473  -5.647
   32    HB   THR   5           HB       THR   5   9.851  10.834  -4.794
   33    HG1  THR   5           HG1      THR   5   8.778  10.659  -2.956
   34   HG21  THR   5          HG21      THR   5   8.953   8.855  -6.360
   35   HG22  THR   5          HG22      THR   5   7.951  10.227  -5.887
   36   HG23  THR   5          HG23      THR   5   7.814   8.695  -5.024
   37    H    ARG   6           H        ARG   6  11.808  10.544  -6.345
   38    HA   ARG   6           HA       ARG   6  14.325  10.934  -4.976
   39    HB2  ARG   6           HB2      ARG   6  13.560  12.610  -7.313
   40    HB3  ARG   6           HB3      ARG   6  15.100  11.852  -6.930
   41    HG2  ARG   6           HG2      ARG   6  12.651  10.530  -8.068
   42    HG3  ARG   6           HG3      ARG   6  14.202  10.793  -8.867
   43    HD2  ARG   6           HD2      ARG   6  14.905   8.825  -8.118
   44    HD3  ARG   6           HD3      ARG   6  14.718   9.401  -6.462
   45    HE   ARG   6           HE       ARG   6  12.724   8.245  -6.303
   46   HH11  ARG   6          HH11      ARG   6  13.896   8.193  -9.580
   47   HH12  ARG   6          HH12      ARG   6  12.776   6.977 -10.099
   48   HH21  ARG   6          HH21      ARG   6  11.245   6.644  -6.974
   49   HH22  ARG   6          HH22      ARG   6  11.268   6.097  -8.616
   50    H    LEU   7           H        LEU   7  11.386  12.106  -4.379
   51    HA   LEU   7           HA       LEU   7  12.049  14.911  -4.084
   52    HB2  LEU   7           HB2      LEU   7   9.746  13.812  -4.658
   53    HB3  LEU   7           HB3      LEU   7   9.611  13.651  -2.908
   54    HG   LEU   7           HG       LEU   7  10.274  16.335  -3.991
   55   HD11  LEU   7          HD11      LEU   7   7.961  16.843  -4.472
   56   HD12  LEU   7          HD12      LEU   7   7.489  15.185  -4.099
   57   HD13  LEU   7          HD13      LEU   7   8.507  15.518  -5.500
   58   HD21  LEU   7          HD21      LEU   7   9.308  17.089  -2.051
   59   HD22  LEU   7          HD22      LEU   7   9.919  15.520  -1.523
   60   HD23  LEU   7          HD23      LEU   7   8.213  15.712  -1.930
   61    H    GLY   8           H        GLY   8  11.877  12.034  -2.119
   62    HA2  GLY   8           HA2      GLY   8  13.402  13.210  -0.035
   63    HA3  GLY   8           HA3      GLY   8  11.710  13.116   0.433
   64    H    THR   9           H        THR   9  10.704  10.885   0.013
   65    HA   THR   9           HA       THR   9  12.456   8.621   0.103
   66    HB   THR   9           HB       THR   9  10.956   8.387   2.534
   67    HG1  THR   9           HG1      THR   9  12.406  10.078   3.593
   68   HG21  THR   9          HG21      THR   9  13.491   8.372   3.354
   69   HG22  THR   9          HG22      THR   9  13.775   8.196   1.622
   70   HG23  THR   9          HG23      THR   9  12.780   7.018   2.476
   71    H    TYR  10           H        TYR  10  10.866   6.740   1.258
   72    HA   TYR  10           HA       TYR  10   9.093   6.001  -0.681
   73    HB2  TYR  10           HB2      TYR  10   9.560   5.243   2.111
   74    HB3  TYR  10           HB3      TYR  10   7.913   4.942   1.570
   75    HD1  TYR  10           HD1      TYR  10   7.864   2.598   1.430
   76    HD2  TYR  10           HD2      TYR  10  11.023   4.739  -0.450
   77    HE1  TYR  10           HE1      TYR  10   8.603   0.527   0.328
   78    HE2  TYR  10           HE2      TYR  10  11.770   2.675  -1.559
   79    HH   TYR  10           HH       TYR  10  10.598   0.430  -2.253
   80    H    VAL  11           H        VAL  11   7.205   6.726  -1.389
   81    HA   VAL  11           HA       VAL  11   5.452   8.192   0.461
   82    HB   VAL  11           HB       VAL  11   6.550   9.893  -0.852
   83   HG11  VAL  11          HG11      VAL  11   6.535   9.941  -3.252
   84   HG12  VAL  11          HG12      VAL  11   7.206   8.396  -2.727
   85   HG13  VAL  11          HG13      VAL  11   5.546   8.483  -3.320
   86   HG21  VAL  11          HG21      VAL  11   4.671  11.061  -1.567
   87   HG22  VAL  11          HG22      VAL  11   3.863   9.604  -2.146
   88   HG23  VAL  11          HG23      VAL  11   4.005   9.904  -0.414
   89    H    CYS  12           H        CYS  12   3.343   7.670   0.342
   90    HA   CYS  12           HA       CYS  12   2.383   6.170  -1.988
   91    HB2  CYS  12           HB2      CYS  12   1.055   4.955   0.099
   92    HB3  CYS  12           HB3      CYS  12   2.426   4.278  -0.774
  Start of MODEL   16
    1    H1   ALA   1           H        ALA   1   0.293   1.386  -1.025
    2    HA   ALA   1           HA       ALA   1   2.317  -0.066  -0.377
    3    HB1  ALA   1           HB1      ALA   1   2.928  -1.545  -1.910
    4    HB2  ALA   1           HB2      ALA   1   1.699  -0.931  -3.016
    5    HB3  ALA   1           HB3      ALA   1   3.318  -0.230  -3.019
    6    H    CYS   2           H        CYS   2   4.328   0.970  -0.300
    7    HA   CYS   2           HA       CYS   2   4.260   3.746  -1.225
    8    HB2  CYS   2           HB2      CYS   2   6.072   2.387   0.782
    9    HB3  CYS   2           HB3      CYS   2   6.102   4.102   0.385
   10    H    PHE   3           H        PHE   3   6.384   4.697  -1.909
   11    HA   PHE   3           HA       PHE   3   8.246   2.854  -3.155
   12    HB2  PHE   3           HB2      PHE   3   7.722   4.679  -5.220
   13    HB3  PHE   3           HB3      PHE   3   7.337   2.961  -5.197
   14    HD1  PHE   3           HD1      PHE   3   5.092   2.195  -4.670
   15    HD2  PHE   3           HD2      PHE   3   6.031   6.343  -4.836
   16    HE1  PHE   3           HE1      PHE   3   2.693   2.731  -4.760
   17    HE2  PHE   3           HE2      PHE   3   3.633   6.886  -4.925
   18    HZ   PHE   3           HZ       PHE   3   1.960   5.079  -4.887
   19    H    LEU   4           H        LEU   4  10.267   3.671  -3.266
   20    HA   LEU   4           HA       LEU   4  10.845   6.102  -1.921
   21    HB2  LEU   4           HB2      LEU   4  12.517   4.545  -1.678
   22    HB3  LEU   4           HB3      LEU   4  12.429   4.033  -3.362
   23    HG   LEU   4           HG       LEU   4  13.541   6.164  -4.005
   24   HD11  LEU   4          HD11      LEU   4  12.805   7.170  -1.678
   25   HD12  LEU   4          HD12      LEU   4  14.260   7.723  -2.506
   26   HD13  LEU   4          HD13      LEU   4  14.386   6.561  -1.185
   27   HD21  LEU   4          HD21      LEU   4  15.777   5.512  -2.882
   28   HD22  LEU   4          HD22      LEU   4  14.992   4.357  -3.959
   29   HD23  LEU   4          HD23      LEU   4  14.859   4.164  -2.210
   30    H    THR   5           H        THR   5  10.538   8.055  -2.745
   31    HA   THR   5           HA       THR   5  10.807   8.450  -5.641
   32    HB   THR   5           HB       THR   5   9.828  10.814  -4.800
   33    HG1  THR   5           HG1      THR   5   9.699  10.165  -2.616
   34   HG21  THR   5          HG21      THR   5   7.920  10.191  -5.872
   35   HG22  THR   5          HG22      THR   5   7.796   8.666  -4.996
   36   HG23  THR   5          HG23      THR   5   8.925   8.821  -6.343
   37    H    ARG   6           H        ARG   6  11.775  10.520  -6.362
   38    HA   ARG   6           HA       ARG   6  14.301  10.928  -5.015
   39    HB2  ARG   6           HB2      ARG   6  13.512  12.584  -7.358
   40    HB3  ARG   6           HB3      ARG   6  15.057  11.835  -6.981
   41    HG2  ARG   6           HG2      ARG   6  12.604  10.496  -8.092
   42    HG3  ARG   6           HG3      ARG   6  14.149  10.758  -8.903
   43    HD2  ARG   6           HD2      ARG   6  14.864   8.799  -8.145
   44    HD3  ARG   6           HD3      ARG   6  14.687   9.386  -6.492
   45    HE   ARG   6           HE       ARG   6  12.697   8.225  -6.310
   46   HH11  ARG   6          HH11      ARG   6  13.848   8.150  -9.595
   47   HH12  ARG   6          HH12      ARG   6  12.730   6.926 -10.096
   48   HH21  ARG   6          HH21      ARG   6  11.220   6.613  -6.958
   49   HH22  ARG   6          HH22      ARG   6  11.235   6.052  -8.596
   50    H    LEU   7           H        LEU   7  11.361  12.094  -4.405
   51    HA   LEU   7           HA       LEU   7  12.017  14.904  -4.134
   52    HB2  LEU   7           HB2      LEU   7   9.586  13.510  -3.051
   53    HB3  LEU   7           HB3      LEU   7   9.779  15.218  -3.439
   54    HG   LEU   7           HG       LEU   7   9.663  12.966  -5.444
   55   HD11  LEU   7          HD11      LEU   7   7.625  14.878  -4.386
   56   HD12  LEU   7          HD12      LEU   7   7.487  13.147  -4.691
   57   HD13  LEU   7          HD13      LEU   7   7.511  14.281  -6.042
   58   HD21  LEU   7          HD21      LEU   7   9.381  14.919  -7.034
   59   HD22  LEU   7          HD22      LEU   7  10.998  14.673  -6.374
   60   HD23  LEU   7          HD23      LEU   7   9.962  15.945  -5.723
   61    H    GLY   8           H        GLY   8  11.878  12.039  -2.150
   62    HA2  GLY   8           HA2      GLY   8  13.413  13.235  -0.086
   63    HA3  GLY   8           HA3      GLY   8  11.725  13.142   0.397
   64    H    THR   9           H        THR   9  10.720  10.905   0.000
   65    HA   THR   9           HA       THR   9  12.478   8.646   0.094
   66    HB   THR   9           HB       THR   9  10.994   8.426   2.538
   67    HG1  THR   9           HG1      THR   9  11.158  10.445   3.181
   68   HG21  THR   9          HG21      THR   9  13.805   8.229   1.604
   69   HG22  THR   9          HG22      THR   9  12.820   7.061   2.485
   70   HG23  THR   9          HG23      THR   9  13.539   8.427   3.336
   71    H    TYR  10           H        TYR  10  10.900   6.770   1.275
   72    HA   TYR  10           HA       TYR  10   9.116   6.011  -0.647
   73    HB2  TYR  10           HB2      TYR  10   9.602   5.277   2.148
   74    HB3  TYR  10           HB3      TYR  10   7.953   4.967   1.619
   75    HD1  TYR  10           HD1      TYR  10   7.910   2.622   1.498
   76    HD2  TYR  10           HD2      TYR  10  11.052   4.758  -0.418
   77    HE1  TYR  10           HE1      TYR  10   8.648   0.545   0.408
   78    HE2  TYR  10           HE2      TYR  10  11.798   2.687  -1.514
   79    HH   TYR  10           HH       TYR  10   9.950  -0.287  -1.280
   80    H    VAL  11           H        VAL  11   7.217   6.718  -1.345
   81    HA   VAL  11           HA       VAL  11   5.474   8.197   0.504
   82    HB   VAL  11           HB       VAL  11   6.559   9.891  -0.829
   83   HG11  VAL  11          HG11      VAL  11   5.566   8.411  -3.262
   84   HG12  VAL  11          HG12      VAL  11   6.479   9.922  -3.248
   85   HG13  VAL  11          HG13      VAL  11   7.235   8.427  -2.695
   86   HG21  VAL  11          HG21      VAL  11   3.866   9.585  -2.105
   87   HG22  VAL  11          HG22      VAL  11   4.015   9.896  -0.375
   88   HG23  VAL  11          HG23      VAL  11   4.671  11.049  -1.538
   89    H    CYS  12           H        CYS  12   3.365   7.671   0.402
   90    HA   CYS  12           HA       CYS  12   2.394   6.150  -1.911
   91    HB2  CYS  12           HB2      CYS  12   1.083   4.947   0.193
   92    HB3  CYS  12           HB3      CYS  12   2.450   4.267  -0.682
  Start of MODEL   17
    1    H1   ALA   1           H        ALA   1   0.485  -0.271  -0.241
    2    HA   ALA   1           HA       ALA   1   2.732  -0.399  -1.113
    3    HB1  ALA   1           HB1      ALA   1   0.554   0.343  -2.992
    4    HB2  ALA   1           HB2      ALA   1   2.202   0.266  -3.617
    5    HB3  ALA   1           HB3      ALA   1   1.479  -1.154  -2.862
    6    H    CYS   2           H        CYS   2   4.286   0.974  -0.413
    7    HA   CYS   2           HA       CYS   2   4.235   3.759  -1.314
    8    HB2  CYS   2           HB2      CYS   2   6.028   2.375   0.693
    9    HB3  CYS   2           HB3      CYS   2   6.066   4.094   0.311
   10    H    PHE   3           H        PHE   3   6.367   4.707  -1.975
   11    HA   PHE   3           HA       PHE   3   8.231   2.868  -3.225
   12    HB2  PHE   3           HB2      PHE   3   7.727   4.712  -5.277
   13    HB3  PHE   3           HB3      PHE   3   7.336   2.996  -5.271
   14    HD1  PHE   3           HD1      PHE   3   5.085   2.234  -4.765
   15    HD2  PHE   3           HD2      PHE   3   6.040   6.380  -4.891
   16    HE1  PHE   3           HE1      PHE   3   2.688   2.780  -4.867
   17    HE2  PHE   3           HE2      PHE   3   3.645   6.932  -4.992
   18    HZ   PHE   3           HZ       PHE   3   1.965   5.131  -4.980
   19    H    LEU   4           H        LEU   4  10.255   3.678  -3.313
   20    HA   LEU   4           HA       LEU   4  10.832   6.097  -1.945
   21    HB2  LEU   4           HB2      LEU   4  12.495   4.530  -1.701
   22    HB3  LEU   4           HB3      LEU   4  12.420   4.033  -3.390
   23    HG   LEU   4           HG       LEU   4  13.545   6.166  -4.005
   24   HD11  LEU   4          HD11      LEU   4  13.575   7.803  -2.506
   25   HD12  LEU   4          HD12      LEU   4  14.779   6.875  -1.613
   26   HD13  LEU   4          HD13      LEU   4  13.069   6.714  -1.214
   27   HD21  LEU   4          HD21      LEU   4  14.774   4.043  -3.706
   28   HD22  LEU   4          HD22      LEU   4  15.072   4.482  -2.023
   29   HD23  LEU   4          HD23      LEU   4  15.750   5.462  -3.324
   30    H    THR   5           H        THR   5  10.538   8.057  -2.757
   31    HA   THR   5           HA       THR   5  10.833   8.472  -5.648
   32    HB   THR   5           HB       THR   5   9.853  10.832  -4.798
   33    HG1  THR   5           HG1      THR   5   9.083  10.661  -2.844
   34   HG21  THR   5          HG21      THR   5   7.821   8.686  -5.032
   35   HG22  THR   5          HG22      THR   5   8.959   8.860  -6.368
   36   HG23  THR   5          HG23      THR   5   7.950  10.223  -5.887
   37    H    ARG   6           H        ARG   6  11.813  10.545  -6.344
   38    HA   ARG   6           HA       ARG   6  14.328  10.935  -4.973
   39    HB2  ARG   6           HB2      ARG   6  13.564  12.612  -7.310
   40    HB3  ARG   6           HB3      ARG   6  15.104  11.856  -6.925
   41    HG2  ARG   6           HG2      ARG   6  12.657  10.532  -8.067
   42    HG3  ARG   6           HG3      ARG   6  14.210  10.796  -8.863
   43    HD2  ARG   6           HD2      ARG   6  14.913   8.829  -8.114
   44    HD3  ARG   6           HD3      ARG   6  14.724   9.404  -6.458
   45    HE   ARG   6           HE       ARG   6  12.730   8.248  -6.302
   46   HH11  ARG   6          HH11      ARG   6  13.908   8.194  -9.577
   47   HH12  ARG   6          HH12      ARG   6  12.791   6.976 -10.097
   48   HH21  ARG   6          HH21      ARG   6  11.254   6.644  -6.974
   49   HH22  ARG   6          HH22      ARG   6  11.282   6.096  -8.616
   50    H    LEU   7           H        LEU   7  11.386  12.106  -4.380
   51    HA   LEU   7           HA       LEU   7  12.047  14.911  -4.081
   52    HB2  LEU   7           HB2      LEU   7   9.603  13.514  -3.029
   53    HB3  LEU   7           HB3      LEU   7   9.804  15.225  -3.401
   54    HG   LEU   7           HG       LEU   7   9.842  13.066  -5.501
   55   HD11  LEU   7          HD11      LEU   7   7.688  13.055  -4.323
   56   HD12  LEU   7          HD12      LEU   7   7.536  13.638  -5.980
   57   HD13  LEU   7          HD13      LEU   7   7.518  14.783  -4.638
   58   HD21  LEU   7          HD21      LEU   7   8.962  15.725  -6.244
   59   HD22  LEU   7          HD22      LEU   7  10.209  14.705  -6.963
   60   HD23  LEU   7          HD23      LEU   7  10.596  15.729  -5.579
   61    H    GLY   8           H        GLY   8  11.877  12.032  -2.118
   62    HA2  GLY   8           HA2      GLY   8  13.400  13.208  -0.032
   63    HA3  GLY   8           HA3      GLY   8  11.708  13.114   0.435
   64    H    THR   9           H        THR   9  10.702  10.883   0.012
   65    HA   THR   9           HA       THR   9  12.454   8.619   0.101
   66    HB   THR   9           HB       THR   9  10.954   8.385   2.533
   67    HG1  THR   9           HG1      THR   9  11.139  10.679   2.617
   68   HG21  THR   9          HG21      THR   9  12.777   7.014   2.476
   69   HG22  THR   9          HG22      THR   9  13.490   8.369   3.351
   70   HG23  THR   9          HG23      THR   9  13.772   8.191   1.619
   71    H    TYR  10           H        TYR  10  10.864   6.738   1.257
   72    HA   TYR  10           HA       TYR  10   9.091   5.999  -0.682
   73    HB2  TYR  10           HB2      TYR  10   9.559   5.241   2.109
   74    HB3  TYR  10           HB3      TYR  10   7.911   4.940   1.569
   75    HD1  TYR  10           HD1      TYR  10   7.860   2.597   1.428
   76    HD2  TYR  10           HD2      TYR  10  11.021   4.737  -0.452
   77    HE1  TYR  10           HE1      TYR  10   8.599   0.526   0.325
   78    HE2  TYR  10           HE2      TYR  10  11.767   2.673  -1.561
   79    HH   TYR  10           HH       TYR  10   9.878  -0.200  -1.561
   80    H    VAL  11           H        VAL  11   7.205   6.729  -1.392
   81    HA   VAL  11           HA       VAL  11   5.452   8.193   0.460
   82    HB   VAL  11           HB       VAL  11   6.551   9.894  -0.852
   83   HG11  VAL  11          HG11      VAL  11   5.568   8.441  -3.305
   84   HG12  VAL  11          HG12      VAL  11   6.491   9.945  -3.269
   85   HG13  VAL  11          HG13      VAL  11   7.233   8.439  -2.726
   86   HG21  VAL  11          HG21      VAL  11   4.672  11.062  -1.569
   87   HG22  VAL  11          HG22      VAL  11   3.863   9.605  -2.146
   88   HG23  VAL  11          HG23      VAL  11   4.006   9.907  -0.415
   89    H    CYS  12           H        CYS  12   3.342   7.674   0.339
   90    HA   CYS  12           HA       CYS  12   2.382   6.175  -1.992
   91    HB2  CYS  12           HB2      CYS  12   1.053   4.959   0.094
   92    HB3  CYS  12           HB3      CYS  12   2.423   4.281  -0.779
  Start of MODEL   18
    1    H1   ALA   1           H        ALA   1   0.657  -0.103   0.026
    2    HA   ALA   1           HA       ALA   1   2.704  -0.368  -0.971
    3    HB1  ALA   1           HB1      ALA   1   2.107  -1.184  -2.944
    4    HB2  ALA   1           HB2      ALA   1   0.633  -0.216  -2.929
    5    HB3  ALA   1           HB3      ALA   1   2.119   0.451  -3.604
    6    H    CYS   2           H        CYS   2   4.296   0.970  -0.396
    7    HA   CYS   2           HA       CYS   2   4.241   3.753  -1.302
    8    HB2  CYS   2           HB2      CYS   2   6.037   2.375   0.706
    9    HB3  CYS   2           HB3      CYS   2   6.074   4.092   0.321
   10    H    PHE   3           H        PHE   3   6.372   4.703  -1.966
   11    HA   PHE   3           HA       PHE   3   8.237   2.864  -3.214
   12    HB2  PHE   3           HB2      PHE   3   7.730   4.705  -5.269
   13    HB3  PHE   3           HB3      PHE   3   7.340   2.988  -5.261
   14    HD1  PHE   3           HD1      PHE   3   6.042   6.371  -4.881
   15    HD2  PHE   3           HD2      PHE   3   5.090   2.225  -4.754
   16    HE1  PHE   3           HE1      PHE   3   3.646   6.922  -4.981
   17    HE2  PHE   3           HE2      PHE   3   2.693   2.768  -4.854
   18    HZ   PHE   3           HZ       PHE   3   1.968   5.119  -4.969
   19    H    LEU   4           H        LEU   4  10.260   3.677  -3.307
   20    HA   LEU   4           HA       LEU   4  10.836   6.098  -1.941
   21    HB2  LEU   4           HB2      LEU   4  12.502   4.534  -1.699
   22    HB3  LEU   4           HB3      LEU   4  12.424   4.035  -3.388
   23    HG   LEU   4           HG       LEU   4  13.545   6.169  -4.008
   24   HD11  LEU   4          HD11      LEU   4  13.962   6.462  -1.037
   25   HD12  LEU   4          HD12      LEU   4  12.865   7.443  -2.008
   26   HD13  LEU   4          HD13      LEU   4  14.602   7.509  -2.304
   27   HD21  LEU   4          HD21      LEU   4  14.951   4.299  -3.936
   28   HD22  LEU   4          HD22      LEU   4  14.881   4.201  -2.176
   29   HD23  LEU   4          HD23      LEU   4  15.778   5.507  -2.952
   30    H    THR   5           H        THR   5  10.539   8.057  -2.754
   31    HA   THR   5           HA       THR   5  10.828   8.471  -5.646
   32    HB   THR   5           HB       THR   5   9.847  10.831  -4.796
   33    HG1  THR   5           HG1      THR   5   9.782   9.900  -2.593
   34   HG21  THR   5          HG21      THR   5   7.944  10.218  -5.884
   35   HG22  THR   5          HG22      THR   5   7.814   8.686  -5.020
   36   HG23  THR   5          HG23      THR   5   8.951   8.851  -6.358
   37    H    ARG   6           H        ARG   6  11.806  10.542  -6.346
   38    HA   ARG   6           HA       ARG   6  14.322  10.937  -4.979
   39    HB2  ARG   6           HB2      ARG   6  13.551  12.611  -7.316
   40    HB3  ARG   6           HB3      ARG   6  15.094  11.858  -6.933
   41    HG2  ARG   6           HG2      ARG   6  12.647  10.530  -8.070
   42    HG3  ARG   6           HG3      ARG   6  14.198  10.795  -8.869
   43    HD2  ARG   6           HD2      ARG   6  14.904   8.830  -8.119
   44    HD3  ARG   6           HD3      ARG   6  14.717   9.406  -6.464
   45    HE   ARG   6           HE       ARG   6  12.724   8.248  -6.304
   46   HH11  ARG   6          HH11      ARG   6  13.899   8.191  -9.580
   47   HH12  ARG   6          HH12      ARG   6  12.783   6.971 -10.097
   48   HH21  ARG   6          HH21      ARG   6  11.249   6.641  -6.973
   49   HH22  ARG   6          HH22      ARG   6  11.275   6.091  -8.614
   50    H    LEU   7           H        LEU   7  11.379  12.106  -4.385
   51    HA   LEU   7           HA       LEU   7  12.038  14.912  -4.088
   52    HB2  LEU   7           HB2      LEU   7   9.598  13.513  -3.031
   53    HB3  LEU   7           HB3      LEU   7   9.796  15.224  -3.403
   54    HG   LEU   7           HG       LEU   7   9.697  12.992  -5.432
   55   HD11  LEU   7          HD11      LEU   7   7.636  14.678  -4.182
   56   HD12  LEU   7          HD12      LEU   7   7.502  13.098  -4.953
   57   HD13  LEU   7          HD13      LEU   7   7.561  14.558  -5.940
   58   HD21  LEU   7          HD21      LEU   7   9.865  15.987  -5.726
   59   HD22  LEU   7          HD22      LEU   7   9.491  14.874  -7.043
   60   HD23  LEU   7          HD23      LEU   7  11.059  14.795  -6.239
   61    H    GLY   8           H        GLY   8  11.881  12.034  -2.124
   62    HA2  GLY   8           HA2      GLY   8  13.405  13.213  -0.042
   63    HA3  GLY   8           HA3      GLY   8  11.714  13.119   0.429
   64    H    THR   9           H        THR   9  10.708  10.887   0.011
   65    HA   THR   9           HA       THR   9  12.461   8.624   0.100
   66    HB   THR   9           HB       THR   9  10.962   8.391   2.533
   67    HG1  THR   9           HG1      THR   9  11.339  10.798   2.347
   68   HG21  THR   9          HG21      THR   9  13.499   8.377   3.350
   69   HG22  THR   9          HG22      THR   9  13.780   8.198   1.618
   70   HG23  THR   9          HG23      THR   9  12.786   7.022   2.477
   71    H    TYR  10           H        TYR  10  10.872   6.744   1.260
   72    HA   TYR  10           HA       TYR  10   9.098   6.002  -0.678
   73    HB2  TYR  10           HB2      TYR  10   9.568   5.247   2.114
   74    HB3  TYR  10           HB3      TYR  10   7.920   4.943   1.575
   75    HD1  TYR  10           HD1      TYR  10   7.871   2.600   1.435
   76    HD2  TYR  10           HD2      TYR  10  11.030   4.742  -0.447
   77    HE1  TYR  10           HE1      TYR  10   8.611   0.529   0.334
   78    HE2  TYR  10           HE2      TYR  10  11.777   2.677  -1.554
   79    HH   TYR  10           HH       TYR  10  11.459   0.495  -1.792
   80    H    VAL  11           H        VAL  11   7.206   6.722  -1.384
   81    HA   VAL  11           HA       VAL  11   5.455   8.188   0.467
   82    HB   VAL  11           HB       VAL  11   6.551   9.890  -0.846
   83   HG11  VAL  11          HG11      VAL  11   5.558   8.455  -3.305
   84   HG12  VAL  11          HG12      VAL  11   6.511   9.940  -3.256
   85   HG13  VAL  11          HG13      VAL  11   7.221   8.416  -2.720
   86   HG21  VAL  11          HG21      VAL  11   4.007   9.898  -0.407
   87   HG22  VAL  11          HG22      VAL  11   4.670  11.058  -1.558
   88   HG23  VAL  11          HG23      VAL  11   3.865   9.601  -2.139
   89    H    CYS  12           H        CYS  12   3.345   7.668   0.347
   90    HA   CYS  12           HA       CYS  12   2.385   6.166  -1.982
   91    HB2  CYS  12           HB2      CYS  12   1.058   4.951   0.104
   92    HB3  CYS  12           HB3      CYS  12   2.430   4.274  -0.768
  Start of MODEL   19
    1    H1   ALA   1           H        ALA   1   2.851   0.042  -2.863
    2    HA   ALA   1           HA       ALA   1   1.939   0.272  -0.159
    3    HB1  ALA   1           HB1      ALA   1   2.404  -2.027   0.046
    4    HB2  ALA   1           HB2      ALA   1   3.907  -1.887  -0.867
    5    HB3  ALA   1           HB3      ALA   1   3.793  -1.201   0.754
    6    H    CYS   2           H        CYS   2   2.610   2.396  -1.278
    7    HA   CYS   2           HA       CYS   2   3.991   4.202  -1.299
    8    HB2  CYS   2           HB2      CYS   2   5.628   2.572   0.655
    9    HB3  CYS   2           HB3      CYS   2   5.792   4.301   0.368
   10    H    PHE   3           H        PHE   3   6.158   4.965  -1.974
   11    HA   PHE   3           HA       PHE   3   7.904   3.005  -3.201
   12    HB2  PHE   3           HB2      PHE   3   7.507   4.860  -5.276
   13    HB3  PHE   3           HB3      PHE   3   7.047   3.161  -5.260
   14    HD1  PHE   3           HD1      PHE   3   5.885   6.598  -4.878
   15    HD2  PHE   3           HD2      PHE   3   4.765   2.492  -4.799
   16    HE1  PHE   3           HE1      PHE   3   3.515   7.246  -5.000
   17    HE2  PHE   3           HE2      PHE   3   2.393   3.134  -4.921
   18    HZ   PHE   3           HZ       PHE   3   1.765   5.513  -5.023
   19    H    LEU   4           H        LEU   4   9.972   3.687  -3.258
   20    HA   LEU   4           HA       LEU   4  10.694   6.071  -1.919
   21    HB2  LEU   4           HB2      LEU   4  12.275   4.421  -1.693
   22    HB3  LEU   4           HB3      LEU   4  12.150   3.923  -3.378
   23    HG   LEU   4           HG       LEU   4  13.385   5.985  -4.019
   24   HD11  LEU   4          HD11      LEU   4  12.812   6.758  -1.400
   25   HD12  LEU   4          HD12      LEU   4  13.819   7.608  -2.571
   26   HD13  LEU   4          HD13      LEU   4  14.553   6.476  -1.435
   27   HD21  LEU   4          HD21      LEU   4  14.818   4.214  -4.031
   28   HD22  LEU   4          HD22      LEU   4  14.514   3.811  -2.341
   29   HD23  LEU   4          HD23      LEU   4  15.563   5.169  -2.750
   30    H    THR   5           H        THR   5  10.398   8.030  -2.748
   31    HA   THR   5           HA       THR   5  10.729   8.444  -5.630
   32    HB   THR   5           HB       THR   5   9.872  10.848  -4.764
   33    HG1  THR   5           HG1      THR   5   8.584  10.651  -3.003
   34   HG21  THR   5          HG21      THR   5   7.723   8.825  -4.987
   35   HG22  THR   5          HG22      THR   5   8.870   8.906  -6.324
   36   HG23  THR   5          HG23      THR   5   7.951  10.339  -5.862
   37    H    ARG   6           H        ARG   6  11.805  10.464  -6.333
   38    HA   ARG   6           HA       ARG   6  14.345  10.732  -4.978
   39    HB2  ARG   6           HB2      ARG   6  13.649  12.442  -7.312
   40    HB3  ARG   6           HB3      ARG   6  15.153  11.612  -6.936
   41    HG2  ARG   6           HG2      ARG   6  12.637  10.408  -8.061
   42    HG3  ARG   6           HG3      ARG   6  14.196  10.596  -8.867
   43    HD2  ARG   6           HD2      ARG   6  14.806   8.597  -8.121
   44    HD3  ARG   6           HD3      ARG   6  14.658   9.183  -6.465
   45    HE   ARG   6           HE       ARG   6  12.611   8.126  -6.291
   46   HH11  ARG   6          HH11      ARG   6  13.761   8.009  -9.575
   47   HH12  ARG   6          HH12      ARG   6  12.583   6.846 -10.084
   48   HH21  ARG   6          HH21      ARG   6  11.053   6.595  -6.950
   49   HH22  ARG   6          HH22      ARG   6  11.042   6.043  -8.591
   50    H    LEU   7           H        LEU   7  11.466  12.046  -4.370
   51    HA   LEU   7           HA       LEU   7  12.271  14.815  -4.074
   52    HB2  LEU   7           HB2      LEU   7   9.758  13.543  -3.028
   53    HB3  LEU   7           HB3      LEU   7  10.047  15.244  -3.388
   54    HG   LEU   7           HG       LEU   7   9.750  13.006  -5.390
   55   HD11  LEU   7          HD11      LEU   7   7.986  15.305  -4.585
   56   HD12  LEU   7          HD12      LEU   7   7.625  13.581  -4.511
   57   HD13  LEU   7          HD13      LEU   7   7.766  14.386  -6.074
   58   HD21  LEU   7          HD21      LEU   7  11.322  14.501  -6.317
   59   HD22  LEU   7          HD22      LEU   7  10.449  15.913  -5.720
   60   HD23  LEU   7          HD23      LEU   7   9.767  14.940  -7.025
   61    H    GLY   8           H        GLY   8  11.997  11.943  -2.127
   62    HA2  GLY   8           HA2      GLY   8  13.561  13.041  -0.036
   63    HA3  GLY   8           HA3      GLY   8  11.868  13.028   0.433
   64    H    THR   9           H        THR   9  10.756  10.847  -0.002
   65    HA   THR   9           HA       THR   9  12.395   8.502   0.083
   66    HB   THR   9           HB       THR   9  10.890   8.333   2.518
   67    HG1  THR   9           HG1      THR   9  11.113  10.426   3.011
   68   HG21  THR   9          HG21      THR   9  13.412   8.180   3.341
   69   HG22  THR   9          HG22      THR   9  13.704   8.023   1.608
   70   HG23  THR   9          HG23      THR   9  12.649   6.876   2.433
   71    H    TYR  10           H        TYR  10  10.720   6.694   1.233
   72    HA   TYR  10           HA       TYR  10   8.908   6.050  -0.703
   73    HB2  TYR  10           HB2      TYR  10   9.341   5.262   2.088
   74    HB3  TYR  10           HB3      TYR  10   7.683   5.035   1.542
   75    HD1  TYR  10           HD1      TYR  10   7.491   2.713   1.338
   76    HD2  TYR  10           HD2      TYR  10  10.827   4.687  -0.417
   77    HE1  TYR  10           HE1      TYR  10   8.141   0.616   0.229
   78    HE2  TYR  10           HE2      TYR  10  11.485   2.596  -1.532
   79    HH   TYR  10           HH       TYR  10  11.082   0.418  -1.747
   80    H    VAL  11           H        VAL  11   7.017   6.810  -1.378
   81    HA   VAL  11           HA       VAL  11   5.348   8.359   0.477
   82    HB   VAL  11           HB       VAL  11   6.521  10.029  -0.807
   83   HG11  VAL  11          HG11      VAL  11   7.102   8.503  -2.701
   84   HG12  VAL  11          HG12      VAL  11   5.462   8.730  -3.311
   85   HG13  VAL  11          HG13      VAL  11   6.559  10.107  -3.193
   86   HG21  VAL  11          HG21      VAL  11   4.698  11.286  -1.515
   87   HG22  VAL  11          HG22      VAL  11   3.833   9.874  -2.121
   88   HG23  VAL  11          HG23      VAL  11   3.976  10.142  -0.384
   89    H    CYS  12           H        CYS  12   3.210   7.960   0.331
   90    HA   CYS  12           HA       CYS  12   2.196   6.520  -2.015
   91    HB2  CYS  12           HB2      CYS  12   0.791   5.353   0.043
   92    HB3  CYS  12           HB3      CYS  12   2.148   4.621  -0.808
  Start of MODEL   20
    1    H1   ALA   1           H        ALA   1   2.353  -1.873  -1.179
    2    HA   ALA   1           HA       ALA   1   2.125   0.263  -2.080
    3    HB1  ALA   1           HB1      ALA   1   1.571   0.555   0.867
    4    HB2  ALA   1           HB2      ALA   1   1.112   1.744  -0.352
    5    HB3  ALA   1           HB3      ALA   1   0.424   0.121  -0.401
    6    H    CYS   2           H        CYS   2   2.543   2.735  -1.465
    7    HA   CYS   2           HA       CYS   2   4.071   4.412  -1.302
    8    HB2  CYS   2           HB2      CYS   2   5.536   2.534   0.564
    9    HB3  CYS   2           HB3      CYS   2   5.782   4.273   0.430
   10    H    PHE   3           H        PHE   3   6.156   5.082  -2.066
   11    HA   PHE   3           HA       PHE   3   7.891   3.072  -3.236
   12    HB2  PHE   3           HB2      PHE   3   7.521   4.933  -5.327
   13    HB3  PHE   3           HB3      PHE   3   7.087   3.227  -5.316
   14    HD1  PHE   3           HD1      PHE   3   4.809   2.525  -4.839
   15    HD2  PHE   3           HD2      PHE   3   5.869   6.645  -4.992
   16    HE1  PHE   3           HE1      PHE   3   2.428   3.129  -4.990
   17    HE2  PHE   3           HE2      PHE   3   3.491   7.255  -5.141
   18    HZ   PHE   3           HZ       PHE   3   1.766   5.496  -5.140
   19    H    LEU   4           H        LEU   4   9.967   3.710  -3.240
   20    HA   LEU   4           HA       LEU   4  10.727   6.089  -1.931
   21    HB2  LEU   4           HB2      LEU   4  12.282   4.417  -1.700
   22    HB3  LEU   4           HB3      LEU   4  12.150   3.917  -3.385
   23    HG   LEU   4           HG       LEU   4  13.419   5.955  -4.030
   24   HD11  LEU   4          HD11      LEU   4  12.997   7.434  -2.231
   25   HD12  LEU   4          HD12      LEU   4  14.717   7.051  -2.172
   26   HD13  LEU   4          HD13      LEU   4  13.603   6.278  -1.045
   27   HD21  LEU   4          HD21      LEU   4  14.807   4.140  -4.025
   28   HD22  LEU   4          HD22      LEU   4  14.525   3.787  -2.320
   29   HD23  LEU   4          HD23      LEU   4  15.587   5.118  -2.782
   30    H    THR   5           H        THR   5  10.452   8.050  -2.765
   31    HA   THR   5           HA       THR   5  10.829   8.455  -5.646
   32    HB   THR   5           HB       THR   5   9.935  10.852  -4.834
   33    HG1  THR   5           HG1      THR   5   8.767   8.990  -3.015
   34   HG21  THR   5          HG21      THR   5   8.017  10.303  -5.924
   35   HG22  THR   5          HG22      THR   5   7.806   8.802  -5.022
   36   HG23  THR   5          HG23      THR   5   8.957   8.875  -6.357
   37    H    ARG   6           H        ARG   6  11.899  10.495  -6.320
   38    HA   ARG   6           HA       ARG   6  14.417  10.765  -4.928
   39    HB2  ARG   6           HB2      ARG   6  13.738  12.501  -7.248
   40    HB3  ARG   6           HB3      ARG   6  15.244  11.678  -6.863
   41    HG2  ARG   6           HG2      ARG   6  12.753  10.470  -8.038
   42    HG3  ARG   6           HG3      ARG   6  14.322  10.678  -8.818
   43    HD2  ARG   6           HD2      ARG   6  14.934   8.674  -8.088
   44    HD3  ARG   6           HD3      ARG   6  14.758   9.238  -6.427
   45    HE   ARG   6           HE       ARG   6  12.714   8.168  -6.296
   46   HH11  ARG   6          HH11      ARG   6  13.915   8.095  -9.563
   47   HH12  ARG   6          HH12      ARG   6  12.752   6.931 -10.104
   48   HH21  ARG   6          HH21      ARG   6  11.177   6.635  -6.996
   49   HH22  ARG   6          HH22      ARG   6  11.194   6.102  -8.643
   50    H    LEU   7           H        LEU   7  11.517  12.061  -4.354
   51    HA   LEU   7           HA       LEU   7  12.305  14.827  -4.004
   52    HB2  LEU   7           HB2      LEU   7   9.783  13.534  -3.007
   53    HB3  LEU   7           HB3      LEU   7  10.070  15.238  -3.353
   54    HG   LEU   7           HG       LEU   7   9.988  13.079  -5.457
   55   HD11  LEU   7          HD11      LEU   7   7.790  14.809  -5.696
   56   HD12  LEU   7          HD12      LEU   7   7.847  14.309  -4.006
   57   HD13  LEU   7          HD13      LEU   7   7.779  13.094  -5.283
   58   HD21  LEU   7          HD21      LEU   7   9.678  15.047  -6.956
   59   HD22  LEU   7          HD22      LEU   7  11.259  14.975  -6.177
   60   HD23  LEU   7          HD23      LEU   7  10.030  16.090  -5.578
   61    H    GLY   8           H        GLY   8  12.029  11.927  -2.103
   62    HA2  GLY   8           HA2      GLY   8  13.557  12.996   0.023
   63    HA3  GLY   8           HA3      GLY   8  11.857  12.987   0.470
   64    H    THR   9           H        THR   9  10.738  10.821   0.017
   65    HA   THR   9           HA       THR   9  12.368   8.465   0.097
   66    HB   THR   9           HB       THR   9  10.821   8.273   2.500
   67    HG1  THR   9           HG1      THR   9  11.026  10.388   2.969
   68   HG21  THR   9          HG21      THR   9  12.587   6.820   2.428
   69   HG22  THR   9          HG22      THR   9  13.323   8.115   3.372
   70   HG23  THR   9          HG23      THR   9  13.654   7.985   1.645
   71    H    TYR  10           H        TYR  10  10.668   6.652   1.194
   72    HA   TYR  10           HA       TYR  10   8.891   6.030  -0.778
   73    HB2  TYR  10           HB2      TYR  10   9.253   5.228   2.021
   74    HB3  TYR  10           HB3      TYR  10   7.613   5.001   1.424
   75    HD1  TYR  10           HD1      TYR  10  10.823   4.667  -0.429
   76    HD2  TYR  10           HD2      TYR  10   7.424   2.684   1.189
   77    HE1  TYR  10           HE1      TYR  10  11.521   2.582  -1.533
   78    HE2  TYR  10           HE2      TYR  10   8.113   0.594   0.090
   79    HH   TYR  10           HH       TYR  10  10.481   0.478  -2.317
   80    H    VAL  11           H        VAL  11   6.970   6.734  -1.456
   81    HA   VAL  11           HA       VAL  11   5.305   8.327   0.362
   82    HB   VAL  11           HB       VAL  11   6.508   9.956  -0.972
   83   HG11  VAL  11          HG11      VAL  11   5.318   8.776  -3.463
   84   HG12  VAL  11          HG12      VAL  11   6.610   9.969  -3.313
   85   HG13  VAL  11          HG13      VAL  11   6.905   8.287  -2.868
   86   HG21  VAL  11          HG21      VAL  11   4.693  11.243  -1.609
   87   HG22  VAL  11          HG22      VAL  11   3.795   9.857  -2.230
   88   HG23  VAL  11          HG23      VAL  11   3.959  10.093  -0.490
   89    H    CYS  12           H        CYS  12   3.163   7.937   0.210
   90    HA   CYS  12           HA       CYS  12   2.143   6.478  -2.116
   91    HB2  CYS  12           HB2      CYS  12   0.766   5.263  -0.089
   92    HB3  CYS  12           HB3      CYS  12   2.168   4.575  -0.903