*HEADER    ANTIMICROBIAL PROTEIN                   20-JUL-20   7JHF              
*TITLE     SOLUTION NMR STRUCTURE OF PROTONECTIN-F, A DERIVED PEPTIDE FROM WASP  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTONECTIN-F DERIVED PEPTIDE ILE-PHE-GLY-THR-ILE-LEU-GLY- 
*COMPND   3 PHE-LEU-LYS-GLY-LEU-NH2;                                             
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: PARACHARTERGUS FRATERNUS;                       
*SOURCE   4 ORGANISM_TAXID: 91406                                                
*KEYWDS    ALPHA-HELICAL, ANTIMICROBIAL, NON-HAEMOLYTIC, ANTIMICROBIAL PROTEIN   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    J.A.I.MULLER,D.J.CRAIK,J.KOEHBACH                                     
*REVDAT   1   16-DEC-20 7JHF    0                                                
# Restraints file 1: protonectinF_pdb_restraints.txt
#distance restraints
  4 THR  HB      5 ILE  H       4.31  #peak 5 #plist 1 #SUP 0.90 #QF 0.82
  4 THR  H       4 THR  HB      4.00  #peak 6 #plist 1 #SUP 0.72 #QF 0.63
  8 PHE  H       8 PHE  HB2     3.56  #peak 33 #plist 1 #SUP 0.78 #QF 0.78
  8 PHE  H       8 PHE  HB3     3.56  #peak 36 #plist 1 #SUP 0.78 #QF 0.78
  5 ILE  H       5 ILE  HB      3.35  #peak 42 #plist 1 #SUP 0.69 #QF 0.69
  5 ILE  HB      6 LEU  H       4.07  #peak 43 #plist 1 #SUP 0.78 #QF 0.78
  6 LEU  HB2     7 GLY  H       4.43  #peak 49 #plist 1 #SUP 0.90 #QF 0.90
 12 LEU  H      12 LEU  HG      3.62  #peak 51 #plist 1 #SUP 0.80 #QF 0.80
  5 ILE  H       5 ILE  HG12    4.19  #peak 52 #plist 1 #SUP 0.82 #QF 0.82
  6 LEU  HB3     7 GLY  H       4.43  #peak 53 #plist 1 #SUP 0.90 #QF 0.90
  5 ILE  H       5 ILE  HG13    4.19  #peak 56 #plist 1 #SUP 0.84 #QF 0.84
  4 THR  H       4 THR  QG2     4.04  #peak 57 #plist 1 #SUP 0.79 #QF 0.79
  5 ILE  H       5 ILE  QG2     4.11  #peak 58 #plist 1 #SUP 0.88 #QF 0.88
  5 ILE  QG2     6 LEU  H       4.38  #peak 59 #plist 1 #SUP 0.86 #QF 0.86
  8 PHE  H       9 LEU  H       3.87  #peak 69 #plist 1 #SUP 0.66 #QF 0.66
 10 LYS  H      11 GLY  H       3.93  #peak 70 #plist 1 #SUP 0.83 #QF 0.83
  4 THR  HA      4 THR  QG2     3.31  #peak 88 #plist 1 #SUP 0.77 #QF 0.25
 12 LEU  HA     12 LEU  HG      4.01  #peak 90 #plist 1 #SUP 0.78 #QF 0.78
 12 LEU  HA     12 LEU  QD1     4.58  #peak 92 #plist 1 #SUP 1.00
 12 LEU  HA     12 LEU  QD2     4.58  #peak 93 #plist 1 #SUP 0.74 #QF 0.74
  6 LEU  HA      6 LEU  HG      3.86  #peak 95 #plist 1 #SUP 0.99 #QF 0.99
  6 LEU  HA      6 LEU  QD1     3.83  #peak 97 #plist 1 #SUP 0.69 #QF 0.69
  6 LEU  HA      6 LEU  QD2     3.83  #peak 99 #plist 1 #SUP 0.73 #QF 0.73
  5 ILE  HA      5 ILE  QG2     3.58  #peak 102 #plist 1 #SUP 0.96 #QF 0.96
  9 LEU  HA      9 LEU  HG      3.67  #peak 104 #plist 1 #SUP 0.43 #QF 0.43
  1 ILE  HA      1 ILE  QD1     5.31  #peak 115 #plist 1 #SUP 0.73 #QF 0.50
  5 ILE  HA      8 PHE  HB2     4.04  #peak 120 #plist 1 #SUP 0.59 #QF 0.59
  5 ILE  HA      8 PHE  HB3     4.04  #peak 121 #plist 1 #SUP 0.61 #QF 0.61
  5 ILE  H       5 ILE  QG1     3.62  #peak 52 #plist 1
  6 LEU  H       6 LEU  QB      3.22  #peak 50 #plist 1
  6 LEU  HA      6 LEU  QQD     3.08  #peak 99 #plist 1
  6 LEU  QQD     7 GLY  QA      4.47  #peak 113 #plist 1
  8 PHE  QB      9 LEU  H       4.00  #peak 32 #plist 1
  9 LEU  H       9 LEU  QB      3.06  #peak 45 #plist 1
  9 LEU  HA      9 LEU  QQD     3.02  #peak 107 #plist 1
  9 LEU  QB     10 LYS  H       4.03  #peak 55 #plist 1
 10 LYS  H      10 LYS  QB      3.07  #peak 46 #plist 1
 10 LYS  QB     11 GLY  H       3.96  #peak 47 #plist 1
 12 LEU  H      12 LEU  QB      3.28  #peak 48 #plist 1
 12 LEU  HA     12 LEU  QQD     3.49  #peak 93 #plist 1

#dihedral angle restraints


#    4 T  -67.842  -35.027    5.665    7.978    0.494 0.613 25 14 Strong
   4   THR  PHI     -87.8   -47.8
   4   THR  PSI     -55.0   -15.0

#    5 I  -64.922  -41.240    5.206    6.292    0.285 0.707 25 15 Strong
   5   ILE  PHI     -84.9   -44.9
   5   ILE  PSI     -61.2   -21.2

#    6 L  -65.856  -39.411    5.003    6.413    0.205 0.777 25 14 Strong
   6   LEU  PHI     -85.9   -45.9
   6   LEU  PSI     -59.4   -19.4

#    7 G  -64.934  -40.652    4.328    5.226    0.156 0.779 25 14 Strong
   7   GLY  PHI     -84.9   -44.9
   7   GLY  PSI     -60.7   -20.7

#    8 F  -64.960  -44.039    5.143    4.553    0.175 0.777 25 14 Strong
   8   PHE  PHI     -85.0   -45.0
   8   PHE  PSI     -64.0   -24.0

#    9 L  -64.909  -34.837    4.045    7.187    0.204 0.758 25 15 Strong
   9   LEU  PHI     -84.9   -44.9
   9   LEU  PSI     -54.8   -14.8

#   10 K  -72.198  -18.554    5.762   10.030    0.270 0.716 25 14 Strong
  10   LYS  PHI     -92.2   -52.2
  10   LYS  PSI     -38.6     1.5

#hbond restraints
7 GLY H 3 GLY O 2
7 GLY N 3 GLY O 3
8 PHE H 4 THR O 2
8 PHE N 4 THR O 3
11 GLY H 7 GLY O 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ILE   1           H        ILE   1   6.979   0.913  -4.265
    2    HA   ILE   1           HA       ILE   1   5.677   3.199  -2.939
    3    HB   ILE   1           HB       ILE   1   4.744   0.327  -2.980
    4   HG12  ILE   1          HG12      ILE   1   2.838   1.622  -4.335
    5   HG13  ILE   1          HG13      ILE   1   4.201   2.653  -4.756
    6   HG21  ILE   1          HG21      ILE   1   3.806   1.182  -1.069
    7   HG22  ILE   1          HG22      ILE   1   3.742   2.826  -1.705
    8   HG23  ILE   1          HG23      ILE   1   2.580   1.621  -2.258
    9   HD11  ILE   1          HD11      ILE   1   4.698   1.218  -6.360
   10   HD12  ILE   1          HD12      ILE   1   5.096   0.031  -5.117
   11   HD13  ILE   1          HD13      ILE   1   3.468   0.087  -5.793
   12    H    PHE   2           H        PHE   2   5.647   3.323  -0.708
   13    HA   PHE   2           HA       PHE   2   7.718   1.763   0.633
   14    HB2  PHE   2           HB2      PHE   2   6.187   4.205   1.554
   15    HB3  PHE   2           HB3      PHE   2   7.503   3.437   2.437
   16    HD1  PHE   2           HD1      PHE   2   6.741   6.126   0.453
   17    HD2  PHE   2           HD2      PHE   2   9.665   3.054   0.819
   18    HE1  PHE   2           HE1      PHE   2   8.361   7.528  -0.757
   19    HE2  PHE   2           HE2      PHE   2  11.289   4.452  -0.388
   20    HZ   PHE   2           HZ       PHE   2  10.639   6.692  -1.177
   21    H    GLY   3           H        GLY   3   6.281  -0.160   0.554
   22    HA2  GLY   3           HA2      GLY   3   5.417  -1.547   2.358
   23    HA3  GLY   3           HA3      GLY   3   4.493  -0.156   2.903
   24    H    THR   4           H        THR   4   4.813  -2.486   0.261
   25    HA   THR   4           HA       THR   4   2.556  -1.864  -1.207
   26    HB   THR   4           HB       THR   4   2.518  -4.246  -1.912
   27    HG1  THR   4           HG1      THR   4   3.465  -5.714  -0.717
   28   HG21  THR   4          HG21      THR   4   5.401  -3.747  -1.944
   29   HG22  THR   4          HG22      THR   4   4.260  -3.881  -3.282
   30   HG23  THR   4          HG23      THR   4   4.434  -2.351  -2.422
   31    H    ILE   5           H        ILE   5   2.829  -3.826   1.718
   32    HA   ILE   5           HA       ILE   5   0.248  -4.872   1.794
   33    HB   ILE   5           HB       ILE   5   1.950  -4.046   4.148
   34   HG12  ILE   5          HG12      ILE   5   1.715  -6.776   2.876
   35   HG13  ILE   5          HG13      ILE   5   2.994  -5.635   2.473
   36   HG21  ILE   5          HG21      ILE   5  -0.350  -5.988   3.966
   37   HG22  ILE   5          HG22      ILE   5   0.656  -5.719   5.389
   38   HG23  ILE   5          HG23      ILE   5  -0.368  -4.422   4.775
   39   HD11  ILE   5          HD11      ILE   5   3.499  -5.622   4.982
   40   HD12  ILE   5          HD12      ILE   5   2.507  -7.079   5.045
   41   HD13  ILE   5          HD13      ILE   5   3.959  -7.043   4.044
   42    H    LEU   6           H        LEU   6   1.489  -1.866   3.242
   43    HA   LEU   6           HA       LEU   6  -1.014  -1.032   4.276
   44    HB2  LEU   6           HB2      LEU   6   1.443  -0.261   4.792
   45    HB3  LEU   6           HB3      LEU   6   1.109   0.926   3.532
   46    HG   LEU   6           HG       LEU   6  -0.989   1.472   4.971
   47   HD11  LEU   6          HD11      LEU   6   0.173  -0.546   6.542
   48   HD12  LEU   6          HD12      LEU   6   0.431   0.970   7.405
   49   HD13  LEU   6          HD13      LEU   6  -1.201   0.484   6.943
   50   HD21  LEU   6          HD21      LEU   6   0.137   3.282   5.805
   51   HD22  LEU   6          HD22      LEU   6   1.547   2.332   6.271
   52   HD23  LEU   6          HD23      LEU   6   1.281   2.742   4.576
   53    H    GLY   7           H        GLY   7   0.784  -0.156   1.336
   54    HA2  GLY   7           HA2      GLY   7  -0.962   1.768   0.338
   55    HA3  GLY   7           HA3      GLY   7   0.076   0.750  -0.649
   56    H    PHE   8           H        PHE   8  -1.116  -1.746   0.089
   57    HA   PHE   8           HA       PHE   8  -3.056  -2.014  -1.866
   58    HB2  PHE   8           HB2      PHE   8  -1.887  -3.939  -0.969
   59    HB3  PHE   8           HB3      PHE   8  -2.615  -3.687   0.615
   60    HD1  PHE   8           HD1      PHE   8  -4.657  -4.671   1.157
   61    HD2  PHE   8           HD2      PHE   8  -3.417  -4.505  -2.912
   62    HE1  PHE   8           HE1      PHE   8  -6.530  -6.138   0.530
   63    HE2  PHE   8           HE2      PHE   8  -5.287  -5.972  -3.546
   64    HZ   PHE   8           HZ       PHE   8  -6.847  -6.790  -1.824
   65    H    LEU   9           H        LEU   9  -3.424  -1.283   1.559
   66    HA   LEU   9           HA       LEU   9  -6.148  -1.618   1.876
   67    HB2  LEU   9           HB2      LEU   9  -4.522   0.628   3.053
   68    HB3  LEU   9           HB3      LEU   9  -6.017  -0.048   3.695
   69    HG   LEU   9           HG       LEU   9  -3.362  -1.474   3.541
   70   HD11  LEU   9          HD11      LEU   9  -3.051  -1.042   5.777
   71   HD12  LEU   9          HD12      LEU   9  -3.777   0.469   5.229
   72   HD13  LEU   9          HD13      LEU   9  -4.763  -0.730   6.066
   73   HD21  LEU   9          HD21      LEU   9  -6.111  -2.322   4.320
   74   HD22  LEU   9          HD22      LEU   9  -4.865  -3.205   3.437
   75   HD23  LEU   9          HD23      LEU   9  -4.726  -2.994   5.182
   76    H    LYS  10           H        LYS  10  -4.414   1.257   0.713
   77    HA   LYS  10           HA       LYS  10  -6.861   2.685   0.188
   78    HB2  LYS  10           HB2      LYS  10  -3.946   3.249  -0.260
   79    HB3  LYS  10           HB3      LYS  10  -5.173   4.265  -1.003
   80    HG2  LYS  10           HG2      LYS  10  -6.085   4.791   1.193
   81    HG3  LYS  10           HG3      LYS  10  -4.878   3.748   1.949
   82    HD2  LYS  10           HD2      LYS  10  -3.975   5.943   0.140
   83    HD3  LYS  10           HD3      LYS  10  -4.499   6.341   1.779
   84    HE2  LYS  10           HE2      LYS  10  -2.475   4.190   1.226
   85    HE3  LYS  10           HE3      LYS  10  -2.013   5.881   1.412
   86    HZ1  LYS  10           HZ1      LYS  10  -3.644   5.349   3.551
   87    HZ2  LYS  10           HZ2      LYS  10  -2.678   3.967   3.411
   88    HZ3  LYS  10           HZ3      LYS  10  -1.958   5.489   3.580
   89    H    GLY  11           H        GLY  11  -4.485   0.865  -1.669
   90    HA2  GLY  11           HA2      GLY  11  -5.897  -0.204  -3.616
   91    HA3  GLY  11           HA3      GLY  11  -5.899   1.467  -4.160
   92    H    LEU  12           H        LEU  12  -4.054   2.354  -5.039
   93    HA   LEU  12           HA       LEU  12  -1.790   0.504  -5.401
   94    HB2  LEU  12           HB2      LEU  12  -3.079   2.370  -7.374
   95    HB3  LEU  12           HB3      LEU  12  -1.470   1.692  -7.618
   96    HG   LEU  12           HG       LEU  12  -3.993   0.063  -7.331
   97   HD11  LEU  12          HD11      LEU  12  -4.285   0.084  -9.563
   98   HD12  LEU  12          HD12      LEU  12  -3.441   1.628  -9.451
   99   HD13  LEU  12          HD13      LEU  12  -2.556   0.170  -9.898
  100   HD21  LEU  12          HD21      LEU  12  -2.122  -1.225  -6.644
  101   HD22  LEU  12          HD22      LEU  12  -2.501  -1.717  -8.295
  102   HD23  LEU  12          HD23      LEU  12  -1.139  -0.638  -7.986
  103    HN1  NH2  13           HN1      NH2  13  -1.885   2.314  -3.294
  104    HN2  NH2  13           HN2      NH2  13  -0.726   3.551  -3.502
  Start of MODEL    2
    1    H1   ILE   1           H        ILE   1   8.137   6.620   3.024
    2    HA   ILE   1           HA       ILE   1   9.305   5.111   0.921
    3    HB   ILE   1           HB       ILE   1   9.540   3.855   3.655
    4   HG12  ILE   1          HG12      ILE   1  11.178   5.683   3.358
    5   HG13  ILE   1          HG13      ILE   1  11.954   4.105   3.424
    6   HG21  ILE   1          HG21      ILE   1   9.225   2.134   2.119
    7   HG22  ILE   1          HG22      ILE   1  10.164   2.950   0.868
    8   HG23  ILE   1          HG23      ILE   1  10.981   2.243   2.262
    9   HD11  ILE   1          HD11      ILE   1  12.390   4.112   1.116
   10   HD12  ILE   1          HD12      ILE   1  11.296   5.467   0.834
   11   HD13  ILE   1          HD13      ILE   1  12.815   5.723   1.693
   12    H    PHE   2           H        PHE   2   7.955   3.486   0.187
   13    HA   PHE   2           HA       PHE   2   5.334   3.364   1.516
   14    HB2  PHE   2           HB2      PHE   2   6.170   3.042  -1.359
   15    HB3  PHE   2           HB3      PHE   2   4.603   2.478  -0.787
   16    HD1  PHE   2           HD1      PHE   2   6.363   5.188  -2.157
   17    HD2  PHE   2           HD2      PHE   2   3.196   4.254   0.529
   18    HE1  PHE   2           HE1      PHE   2   5.450   7.453  -2.452
   19    HE2  PHE   2           HE2      PHE   2   2.276   6.518   0.237
   20    HZ   PHE   2           HZ       PHE   2   3.403   8.120  -1.256
   21    H    GLY   3           H        GLY   3   4.183   1.319   1.493
   22    HA2  GLY   3           HA2      GLY   3   5.982  -1.018   1.362
   23    HA3  GLY   3           HA3      GLY   3   4.907  -0.770   2.730
   24    H    THR   4           H        THR   4   5.072  -2.981   0.777
   25    HA   THR   4           HA       THR   4   3.007  -2.930  -1.092
   26    HB   THR   4           HB       THR   4   3.786  -5.381   0.487
   27    HG1  THR   4           HG1      THR   4   5.692  -5.234  -0.402
   28   HG21  THR   4          HG21      THR   4   2.273  -4.841  -1.971
   29   HG22  THR   4          HG22      THR   4   3.483  -6.115  -2.119
   30   HG23  THR   4          HG23      THR   4   2.223  -6.235  -0.892
   31    H    ILE   5           H        ILE   5   2.938  -4.027   2.293
   32    HA   ILE   5           HA       ILE   5   0.285  -4.840   2.410
   33    HB   ILE   5           HB       ILE   5   1.876  -3.528   4.617
   34   HG12  ILE   5          HG12      ILE   5   1.514  -6.477   4.084
   35   HG13  ILE   5          HG13      ILE   5   2.897  -5.563   3.493
   36   HG21  ILE   5          HG21      ILE   5   0.119  -5.449   5.646
   37   HG22  ILE   5          HG22      ILE   5   0.021  -3.696   5.824
   38   HG23  ILE   5          HG23      ILE   5  -0.824  -4.498   4.499
   39   HD11  ILE   5          HD11      ILE   5   3.918  -5.742   5.444
   40   HD12  ILE   5          HD12      ILE   5   2.513  -5.111   6.303
   41   HD13  ILE   5          HD13      ILE   5   2.631  -6.835   5.952
   42    H    LEU   6           H        LEU   6   1.674  -1.619   2.893
   43    HA   LEU   6           HA       LEU   6  -0.769  -0.366   3.614
   44    HB2  LEU   6           HB2      LEU   6   1.735   0.395   3.859
   45    HB3  LEU   6           HB3      LEU   6   1.437   1.140   2.290
   46    HG   LEU   6           HG       LEU   6  -0.639   2.167   3.550
   47   HD11  LEU   6          HD11      LEU   6   1.128   2.341   5.880
   48   HD12  LEU   6          HD12      LEU   6  -0.625   2.174   5.790
   49   HD13  LEU   6          HD13      LEU   6   0.405   0.753   5.624
   50   HD21  LEU   6          HD21      LEU   6   2.189   3.154   3.909
   51   HD22  LEU   6          HD22      LEU   6   1.160   3.439   2.506
   52   HD23  LEU   6          HD23      LEU   6   0.727   4.127   4.071
   53    H    GLY   7           H        GLY   7   1.096  -0.350   0.570
   54    HA2  GLY   7           HA2      GLY   7  -0.647   1.155  -0.972
   55    HA3  GLY   7           HA3      GLY   7   0.415  -0.093  -1.607
   56    H    PHE   8           H        PHE   8  -0.776  -2.288  -0.214
   57    HA   PHE   8           HA       PHE   8  -2.683  -3.114  -2.042
   58    HB2  PHE   8           HB2      PHE   8  -1.388  -4.556  -0.418
   59    HB3  PHE   8           HB3      PHE   8  -2.545  -4.072   0.819
   60    HD1  PHE   8           HD1      PHE   8  -4.549  -5.221   1.075
   61    HD2  PHE   8           HD2      PHE   8  -2.297  -5.708  -2.503
   62    HE1  PHE   8           HE1      PHE   8  -6.056  -7.036   0.378
   63    HE2  PHE   8           HE2      PHE   8  -3.801  -7.524  -3.207
   64    HZ   PHE   8           HZ       PHE   8  -5.683  -8.189  -1.766
   65    H    LEU   9           H        LEU   9  -3.127  -1.553   1.096
   66    HA   LEU   9           HA       LEU   9  -5.909  -1.782   1.277
   67    HB2  LEU   9           HB2      LEU   9  -4.116   0.415   2.299
   68    HB3  LEU   9           HB3      LEU   9  -5.782   0.144   2.805
   69    HG   LEU   9           HG       LEU   9  -3.482  -1.756   3.260
   70   HD11  LEU   9          HD11      LEU   9  -4.929  -0.353   5.447
   71   HD12  LEU   9          HD12      LEU   9  -3.272  -0.953   5.388
   72   HD13  LEU   9          HD13      LEU   9  -3.702   0.533   4.542
   73   HD21  LEU   9          HD21      LEU   9  -5.027  -3.012   4.622
   74   HD22  LEU   9          HD22      LEU   9  -6.310  -1.843   4.306
   75   HD23  LEU   9          HD23      LEU   9  -5.686  -2.845   2.995
   76    H    LYS  10           H        LYS  10  -3.899   0.757  -0.169
   77    HA   LYS  10           HA       LYS  10  -6.060   2.424  -0.935
   78    HB2  LYS  10           HB2      LYS  10  -3.156   2.259  -1.576
   79    HB3  LYS  10           HB3      LYS  10  -4.180   3.195  -2.658
   80    HG2  LYS  10           HG2      LYS  10  -3.525   4.817  -1.196
   81    HG3  LYS  10           HG3      LYS  10  -5.017   4.278  -0.422
   82    HD2  LYS  10           HD2      LYS  10  -3.416   2.614   0.814
   83    HD3  LYS  10           HD3      LYS  10  -2.178   3.791   0.371
   84    HE2  LYS  10           HE2      LYS  10  -3.522   5.558   1.453
   85    HE3  LYS  10           HE3      LYS  10  -4.691   4.335   1.951
   86    HZ1  LYS  10           HZ1      LYS  10  -2.329   3.344   2.840
   87    HZ2  LYS  10           HZ2      LYS  10  -2.147   5.006   3.098
   88    HZ3  LYS  10           HZ3      LYS  10  -3.456   4.182   3.783
   89    H    GLY  11           H        GLY  11  -4.304  -0.173  -2.555
   90    HA2  GLY  11           HA2      GLY  11  -4.991  -1.508  -4.312
   91    HA3  GLY  11           HA3      GLY  11  -6.509  -0.623  -4.339
   92    H    LEU  12           H        LEU  12  -6.577  -0.420  -6.566
   93    HA   LEU  12           HA       LEU  12  -4.358   0.750  -7.998
   94    HB2  LEU  12           HB2      LEU  12  -7.161   0.152  -8.933
   95    HB3  LEU  12           HB3      LEU  12  -5.786   0.561  -9.958
   96    HG   LEU  12           HG       LEU  12  -6.041  -1.940  -8.287
   97   HD11  LEU  12          HD11      LEU  12  -6.568  -3.110 -10.233
   98   HD12  LEU  12          HD12      LEU  12  -7.554  -1.651 -10.337
   99   HD13  LEU  12          HD13      LEU  12  -6.070  -1.781 -11.280
  100   HD21  LEU  12          HD21      LEU  12  -3.751  -1.502  -8.461
  101   HD22  LEU  12          HD22      LEU  12  -4.081  -2.608  -9.796
  102   HD23  LEU  12          HD23      LEU  12  -3.901  -0.881 -10.105
  103    HN1  NH2  13           HN1      NH2  13  -5.001   2.576  -9.616
  104    HN2  NH2  13           HN2      NH2  13  -5.769   3.951  -8.959
  Start of MODEL    3
    1    H1   ILE   1           H        ILE   1   7.395   4.718  -0.860
    2    HA   ILE   1           HA       ILE   1   5.253   5.372   1.055
    3    HB   ILE   1           HB       ILE   1   5.266   3.036  -0.860
    4   HG12  ILE   1          HG12      ILE   1   4.833   5.183  -1.989
    5   HG13  ILE   1          HG13      ILE   1   3.397   4.166  -1.963
    6   HG21  ILE   1          HG21      ILE   1   3.917   2.130   0.672
    7   HG22  ILE   1          HG22      ILE   1   3.739   3.653   1.544
    8   HG23  ILE   1          HG23      ILE   1   2.724   3.315   0.141
    9   HD11  ILE   1          HD11      ILE   1   3.969   6.552  -0.228
   10   HD12  ILE   1          HD12      ILE   1   2.747   6.407  -1.492
   11   HD13  ILE   1          HD13      ILE   1   2.594   5.470  -0.006
   12    H    PHE   2           H        PHE   2   7.603   2.918   0.027
   13    HA   PHE   2           HA       PHE   2   8.718   1.295   1.170
   14    HB2  PHE   2           HB2      PHE   2   8.472   3.484   3.216
   15    HB3  PHE   2           HB3      PHE   2   9.273   1.966   3.611
   16    HD1  PHE   2           HD1      PHE   2   9.596   5.172   2.066
   17    HD2  PHE   2           HD2      PHE   2  11.243   1.250   2.192
   18    HE1  PHE   2           HE1      PHE   2  11.677   6.018   1.063
   19    HE2  PHE   2           HE2      PHE   2  13.328   2.088   1.189
   20    HZ   PHE   2           HZ       PHE   2  13.547   4.476   0.624
   21    H    GLY   3           H        GLY   3   6.224   0.501   0.856
   22    HA2  GLY   3           HA2      GLY   3   5.778  -1.292   2.980
   23    HA3  GLY   3           HA3      GLY   3   4.657   0.052   3.136
   24    H    THR   4           H        THR   4   5.423  -2.841   1.454
   25    HA   THR   4           HA       THR   4   3.836  -2.569  -0.837
   26    HB   THR   4           HB       THR   4   3.659  -5.142  -0.649
   27    HG1  THR   4           HG1      THR   4   5.736  -4.810   1.245
   28   HG21  THR   4          HG21      THR   4   6.224  -5.304  -1.067
   29   HG22  THR   4          HG22      THR   4   5.223  -4.373  -2.182
   30   HG23  THR   4          HG23      THR   4   6.174  -3.544  -0.950
   31    H    ILE   5           H        ILE   5   3.035  -3.977   2.334
   32    HA   ILE   5           HA       ILE   5   0.413  -4.717   1.803
   33    HB   ILE   5           HB       ILE   5   1.490  -3.662   4.420
   34   HG12  ILE   5          HG12      ILE   5   2.826  -5.528   3.529
   35   HG13  ILE   5          HG13      ILE   5   1.931  -6.009   4.966
   36   HG21  ILE   5          HG21      ILE   5  -1.114  -4.562   3.624
   37   HG22  ILE   5          HG22      ILE   5  -0.441  -5.654   4.835
   38   HG23  ILE   5          HG23      ILE   5  -0.578  -3.930   5.181
   39   HD11  ILE   5          HD11      ILE   5   1.910  -7.161   2.362
   40   HD12  ILE   5          HD12      ILE   5   1.113  -7.717   3.833
   41   HD13  ILE   5          HD13      ILE   5   0.290  -6.588   2.758
   42    H    LEU   6           H        LEU   6   1.592  -1.651   3.180
   43    HA   LEU   6           HA       LEU   6  -0.898  -0.395   3.399
   44    HB2  LEU   6           HB2      LEU   6   1.524   0.266   4.208
   45    HB3  LEU   6           HB3      LEU   6   1.519   1.204   2.716
   46    HG   LEU   6           HG       LEU   6  -0.683   2.205   3.610
   47   HD11  LEU   6          HD11      LEU   6  -0.106   0.392   5.692
   48   HD12  LEU   6          HD12      LEU   6   0.126   2.017   6.337
   49   HD13  LEU   6          HD13      LEU   6  -1.414   1.572   5.602
   50   HD21  LEU   6          HD21      LEU   6   0.543   3.911   4.837
   51   HD22  LEU   6          HD22      LEU   6   1.934   2.835   4.972
   52   HD23  LEU   6          HD23      LEU   6   1.429   3.430   3.390
   53    H    GLY   7           H        GLY   7   1.442  -0.445   0.736
   54    HA2  GLY   7           HA2      GLY   7   0.084   1.377  -0.937
   55    HA3  GLY   7           HA3      GLY   7   1.253   0.177  -1.466
   56    H    PHE   8           H        PHE   8  -0.188  -2.119  -0.558
   57    HA   PHE   8           HA       PHE   8  -1.811  -2.585  -2.815
   58    HB2  PHE   8           HB2      PHE   8  -0.555  -4.285  -1.341
   59    HB3  PHE   8           HB3      PHE   8  -1.960  -4.207  -0.284
   60    HD1  PHE   8           HD1      PHE   8  -4.102  -5.097  -0.991
   61    HD2  PHE   8           HD2      PHE   8  -0.676  -5.330  -3.506
   62    HE1  PHE   8           HE1      PHE   8  -5.248  -6.764  -2.391
   63    HE2  PHE   8           HE2      PHE   8  -1.816  -6.998  -4.910
   64    HZ   PHE   8           HZ       PHE   8  -4.106  -7.716  -4.354
   65    H    LEU   9           H        LEU   9  -2.572  -1.779   0.536
   66    HA   LEU   9           HA       LEU   9  -5.346  -2.143   0.421
   67    HB2  LEU   9           HB2      LEU   9  -3.633  -0.314   2.083
   68    HB3  LEU   9           HB3      LEU   9  -5.376  -0.452   2.303
   69    HG   LEU   9           HG       LEU   9  -3.625  -2.876   2.473
   70   HD11  LEU   9          HD11      LEU   9  -4.332  -1.358   4.934
   71   HD12  LEU   9          HD12      LEU   9  -3.014  -2.493   4.646
   72   HD13  LEU   9          HD13      LEU   9  -2.926  -0.856   3.997
   73   HD21  LEU   9          HD21      LEU   9  -6.362  -2.433   2.618
   74   HD22  LEU   9          HD22      LEU   9  -5.499  -3.889   3.112
   75   HD23  LEU   9          HD23      LEU   9  -5.857  -2.632   4.296
   76    H    LYS  10           H        LYS  10  -3.448   0.845   0.014
   77    HA   LYS  10           HA       LYS  10  -5.666   2.454  -0.697
   78    HB2  LYS  10           HB2      LYS  10  -3.999   4.098  -1.411
   79    HB3  LYS  10           HB3      LYS  10  -3.576   3.408   0.150
   80    HG2  LYS  10           HG2      LYS  10  -1.984   1.902  -0.983
   81    HG3  LYS  10           HG3      LYS  10  -2.366   2.696  -2.513
   82    HD2  LYS  10           HD2      LYS  10  -1.436   4.276  -0.141
   83    HD3  LYS  10           HD3      LYS  10  -0.281   3.468  -1.204
   84    HE2  LYS  10           HE2      LYS  10  -1.059   4.714  -3.096
   85    HE3  LYS  10           HE3      LYS  10  -2.393   5.392  -2.165
   86    HZ1  LYS  10           HZ1      LYS  10   0.425   5.855  -1.400
   87    HZ2  LYS  10           HZ2      LYS  10  -0.361   6.846  -2.523
   88    HZ3  LYS  10           HZ3      LYS  10  -0.949   6.731  -0.941
   89    H    GLY  11           H        GLY  11  -3.363   0.552  -2.569
   90    HA2  GLY  11           HA2      GLY  11  -3.936   1.501  -5.126
   91    HA3  GLY  11           HA3      GLY  11  -3.390  -0.130  -4.761
   92    H    LEU  12           H        LEU  12  -5.865   1.682  -6.051
   93    HA   LEU  12           HA       LEU  12  -7.766  -0.549  -5.744
   94    HB2  LEU  12           HB2      LEU  12  -8.195   2.409  -5.808
   95    HB3  LEU  12           HB3      LEU  12  -9.474   1.319  -6.339
   96    HG   LEU  12           HG       LEU  12  -8.216   1.052  -3.626
   97   HD11  LEU  12          HD11      LEU  12 -10.755   2.369  -3.531
   98   HD12  LEU  12          HD12      LEU  12  -9.207   2.880  -2.859
   99   HD13  LEU  12          HD13      LEU  12  -9.633   3.308  -4.516
  100   HD21  LEU  12          HD21      LEU  12  -9.503  -0.834  -4.212
  101   HD22  LEU  12          HD22      LEU  12 -10.536   0.139  -3.165
  102   HD23  LEU  12          HD23      LEU  12 -10.783   0.158  -4.912
  103    HN1  NH2  13           HN1      NH2  13  -9.480  -0.416  -7.604
  104    HN2  NH2  13           HN2      NH2  13  -8.870  -0.286  -9.194
  Start of MODEL    4
    1    H1   ILE   1           H        ILE   1   5.776   6.613   4.412
    2    HA   ILE   1           HA       ILE   1   6.821   7.615   2.076
    3    HB   ILE   1           HB       ILE   1   8.274   5.842   4.044
    4   HG12  ILE   1          HG12      ILE   1   7.202   7.740   5.149
    5   HG13  ILE   1          HG13      ILE   1   8.948   7.958   5.112
    6   HG21  ILE   1          HG21      ILE   1   9.146   7.485   1.738
    7   HG22  ILE   1          HG22      ILE   1  10.156   7.513   3.183
    8   HG23  ILE   1          HG23      ILE   1   9.812   5.982   2.378
    9   HD11  ILE   1          HD11      ILE   1   7.913  10.044   4.617
   10   HD12  ILE   1          HD12      ILE   1   8.652   9.434   3.136
   11   HD13  ILE   1          HD13      ILE   1   6.908   9.309   3.368
   12    H    PHE   2           H        PHE   2   6.716   4.210   3.090
   13    HA   PHE   2           HA       PHE   2   6.534   3.333   0.363
   14    HB2  PHE   2           HB2      PHE   2   8.983   3.714   0.622
   15    HB3  PHE   2           HB3      PHE   2   8.994   2.545   1.938
   16    HD1  PHE   2           HD1      PHE   2   8.218   2.914  -1.671
   17    HD2  PHE   2           HD2      PHE   2   9.257   0.275   1.503
   18    HE1  PHE   2           HE1      PHE   2   8.553   1.096  -3.296
   19    HE2  PHE   2           HE2      PHE   2   9.594  -1.546  -0.116
   20    HZ   PHE   2           HZ       PHE   2   9.241  -1.137  -2.519
   21    H    GLY   3           H        GLY   3   5.687   1.291   0.190
   22    HA2  GLY   3           HA2      GLY   3   5.784  -0.858   1.823
   23    HA3  GLY   3           HA3      GLY   3   4.606   0.169   2.628
   24    H    THR   4           H        THR   4   5.198  -1.994   0.029
   25    HA   THR   4           HA       THR   4   3.037  -1.431  -1.656
   26    HB   THR   4           HB       THR   4   3.287  -3.652  -2.548
   27    HG1  THR   4           HG1      THR   4   3.598  -5.163  -1.096
   28   HG21  THR   4          HG21      THR   4   6.033  -2.763  -1.670
   29   HG22  THR   4          HG22      THR   4   5.601  -3.645  -3.136
   30   HG23  THR   4          HG23      THR   4   5.110  -1.962  -2.943
   31    H    ILE   5           H        ILE   5   3.250  -3.456   1.234
   32    HA   ILE   5           HA       ILE   5   0.673  -4.581   1.070
   33    HB   ILE   5           HB       ILE   5   2.306  -4.028   3.551
   34   HG12  ILE   5          HG12      ILE   5   2.122  -6.599   1.979
   35   HG13  ILE   5          HG13      ILE   5   3.399  -5.414   1.727
   36   HG21  ILE   5          HG21      ILE   5   0.342  -4.602   4.508
   37   HG22  ILE   5          HG22      ILE   5  -0.250  -5.418   3.060
   38   HG23  ILE   5          HG23      ILE   5   0.892  -6.234   4.128
   39   HD11  ILE   5          HD11      ILE   5   4.419  -5.893   3.708
   40   HD12  ILE   5          HD12      ILE   5   2.923  -6.416   4.481
   41   HD13  ILE   5          HD13      ILE   5   3.731  -7.469   3.320
   42    H    LEU   6           H        LEU   6   1.877  -1.675   2.710
   43    HA   LEU   6           HA       LEU   6  -0.618  -0.977   3.874
   44    HB2  LEU   6           HB2      LEU   6   1.576  -0.185   4.692
   45    HB3  LEU   6           HB3      LEU   6   1.736   0.796   3.237
   46    HG   LEU   6           HG       LEU   6  -0.125   2.179   3.917
   47   HD11  LEU   6          HD11      LEU   6  -1.719   1.226   5.145
   48   HD12  LEU   6          HD12      LEU   6  -0.633  -0.040   5.718
   49   HD13  LEU   6          HD13      LEU   6  -0.677   1.521   6.538
   50   HD21  LEU   6          HD21      LEU   6   0.844   2.901   6.231
   51   HD22  LEU   6          HD22      LEU   6   2.105   1.728   5.850
   52   HD23  LEU   6          HD23      LEU   6   1.812   3.089   4.769
   53    H    GLY   7           H        GLY   7   0.985  -0.164   0.845
   54    HA2  GLY   7           HA2      GLY   7  -0.873   1.860   0.076
   55    HA3  GLY   7           HA3      GLY   7   0.279   1.053  -0.978
   56    H    PHE   8           H        PHE   8  -0.698  -1.615  -0.426
   57    HA   PHE   8           HA       PHE   8  -2.514  -1.940  -2.481
   58    HB2  PHE   8           HB2      PHE   8  -1.238  -3.807  -1.600
   59    HB3  PHE   8           HB3      PHE   8  -2.077  -3.693  -0.057
   60    HD1  PHE   8           HD1      PHE   8  -3.671  -5.287   0.319
   61    HD2  PHE   8           HD2      PHE   8  -2.986  -3.968  -3.670
   62    HE1  PHE   8           HE1      PHE   8  -5.375  -6.866  -0.492
   63    HE2  PHE   8           HE2      PHE   8  -4.689  -5.544  -4.487
   64    HZ   PHE   8           HZ       PHE   8  -5.885  -6.997  -2.898
   65    H    LEU   9           H        LEU   9  -3.108  -1.348   0.931
   66    HA   LEU   9           HA       LEU   9  -5.796  -1.939   1.129
   67    HB2  LEU   9           HB2      LEU   9  -3.977  -0.021   2.473
   68    HB3  LEU   9           HB3      LEU   9  -5.708   0.205   2.708
   69    HG   LEU   9           HG       LEU   9  -4.758  -1.067   4.539
   70   HD11  LEU   9          HD11      LEU   9  -6.994  -1.736   3.096
   71   HD12  LEU   9          HD12      LEU   9  -6.151  -3.278   3.253
   72   HD13  LEU   9          HD13      LEU   9  -6.573  -2.353   4.694
   73   HD21  LEU   9          HD21      LEU   9  -4.055  -3.242   2.589
   74   HD22  LEU   9          HD22      LEU   9  -2.890  -2.020   3.096
   75   HD23  LEU   9          HD23      LEU   9  -3.609  -3.101   4.289
   76    H    LYS  10           H        LYS  10  -4.374   1.217   0.272
   77    HA   LYS  10           HA       LYS  10  -6.918   2.327  -0.448
   78    HB2  LYS  10           HB2      LYS  10  -5.575   4.257  -1.241
   79    HB3  LYS  10           HB3      LYS  10  -5.202   3.793   0.414
   80    HG2  LYS  10           HG2      LYS  10  -3.194   2.652  -0.336
   81    HG3  LYS  10           HG3      LYS  10  -3.577   3.052  -2.012
   82    HD2  LYS  10           HD2      LYS  10  -3.644   5.509  -1.015
   83    HD3  LYS  10           HD3      LYS  10  -2.562   4.786   0.178
   84    HE2  LYS  10           HE2      LYS  10  -2.179   4.845  -2.812
   85    HE3  LYS  10           HE3      LYS  10  -1.267   5.761  -1.614
   86    HZ1  LYS  10           HZ1      LYS  10  -0.060   3.802  -2.377
   87    HZ2  LYS  10           HZ2      LYS  10  -0.407   3.699  -0.725
   88    HZ3  LYS  10           HZ3      LYS  10  -1.311   2.800  -1.836
   89    H    GLY  11           H        GLY  11  -4.204   0.893  -2.169
   90    HA2  GLY  11           HA2      GLY  11  -5.059   1.613  -4.780
   91    HA3  GLY  11           HA3      GLY  11  -3.914   0.342  -4.382
   92    H    LEU  12           H        LEU  12  -5.074  -0.637  -6.279
   93    HA   LEU  12           HA       LEU  12  -7.505  -2.033  -5.368
   94    HB2  LEU  12           HB2      LEU  12  -6.695  -0.966  -8.034
   95    HB3  LEU  12           HB3      LEU  12  -7.745  -2.380  -7.957
   96    HG   LEU  12           HG       LEU  12  -8.480   0.107  -6.466
   97   HD11  LEU  12          HD11      LEU  12  -9.144   1.258  -8.276
   98   HD12  LEU  12          HD12      LEU  12  -7.921   0.295  -9.106
   99   HD13  LEU  12          HD13      LEU  12  -9.615  -0.195  -9.158
  100   HD21  LEU  12          HD21      LEU  12 -10.325  -1.746  -7.908
  101   HD22  LEU  12          HD22      LEU  12  -9.626  -2.234  -6.364
  102   HD23  LEU  12          HD23      LEU  12 -10.610  -0.773  -6.464
  103    HN1  NH2  13           HN1      NH2  13  -4.465  -2.336  -7.142
  104    HN2  NH2  13           HN2      NH2  13  -4.304  -4.034  -7.056
  Start of MODEL    5
    1    H1   ILE   1           H        ILE   1   7.398   5.653   3.004
    2    HA   ILE   1           HA       ILE   1   7.218   7.430   0.661
    3    HB   ILE   1           HB       ILE   1   9.562   6.613   0.166
    4   HG12  ILE   1          HG12      ILE   1   9.373   5.680   3.039
    5   HG13  ILE   1          HG13      ILE   1   9.525   4.638   1.628
    6   HG21  ILE   1          HG21      ILE   1  10.493   8.369   1.322
    7   HG22  ILE   1          HG22      ILE   1   8.781   8.791   1.384
    8   HG23  ILE   1          HG23      ILE   1   9.556   8.046   2.782
    9   HD11  ILE   1          HD11      ILE   1  11.558   6.522   2.771
   10   HD12  ILE   1          HD12      ILE   1  11.667   4.772   2.580
   11   HD13  ILE   1          HD13      ILE   1  11.707   5.820   1.160
   12    H    PHE   2           H        PHE   2   7.467   4.090   1.737
   13    HA   PHE   2           HA       PHE   2   6.236   3.191  -0.717
   14    HB2  PHE   2           HB2      PHE   2   8.539   3.136  -1.423
   15    HB3  PHE   2           HB3      PHE   2   9.021   2.311   0.055
   16    HD1  PHE   2           HD1      PHE   2   7.100   1.932  -3.079
   17    HD2  PHE   2           HD2      PHE   2   8.927  -0.031   0.227
   18    HE1  PHE   2           HE1      PHE   2   6.776  -0.237  -4.193
   19    HE2  PHE   2           HE2      PHE   2   8.607  -2.203  -0.883
   20    HZ   PHE   2           HZ       PHE   2   7.531  -2.309  -3.095
   21    H    GLY   3           H        GLY   3   4.716   1.802  -0.123
   22    HA2  GLY   3           HA2      GLY   3   5.315  -0.235   1.880
   23    HA3  GLY   3           HA3      GLY   3   4.007   0.877   2.260
   24    H    THR   4           H        THR   4   4.762  -2.056   0.892
   25    HA   THR   4           HA       THR   4   2.915  -2.227  -1.235
   26    HB   THR   4           HB       THR   4   3.034  -4.745  -0.735
   27    HG1  THR   4           HG1      THR   4   5.221  -3.990   0.904
   28   HG21  THR   4          HG21      THR   4   4.626  -4.677  -2.291
   29   HG22  THR   4          HG22      THR   4   4.842  -2.957  -1.964
   30   HG23  THR   4          HG23      THR   4   5.810  -4.149  -1.096
   31    H    ILE   5           H        ILE   5   2.662  -3.167   2.186
   32    HA   ILE   5           HA       ILE   5   0.046  -4.174   2.073
   33    HB   ILE   5           HB       ILE   5   1.352  -2.837   4.443
   34   HG12  ILE   5          HG12      ILE   5   2.813  -4.576   3.555
   35   HG13  ILE   5          HG13      ILE   5   2.088  -5.115   5.066
   36   HG21  ILE   5          HG21      ILE   5  -0.176  -4.850   5.423
   37   HG22  ILE   5          HG22      ILE   5  -0.703  -3.173   5.287
   38   HG23  ILE   5          HG23      ILE   5  -1.137  -4.338   4.037
   39   HD11  ILE   5          HD11      ILE   5   0.524  -6.497   3.872
   40   HD12  ILE   5          HD12      ILE   5   1.113  -5.883   2.328
   41   HD13  ILE   5          HD13      ILE   5   2.165  -6.867   3.345
   42    H    LEU   6           H        LEU   6   1.264  -0.914   2.709
   43    HA   LEU   6           HA       LEU   6  -1.221   0.251   3.360
   44    HB2  LEU   6           HB2      LEU   6   1.454   1.248   2.545
   45    HB3  LEU   6           HB3      LEU   6   0.093   2.362   2.427
   46    HG   LEU   6           HG       LEU   6   1.389   2.582   4.528
   47   HD11  LEU   6          HD11      LEU   6  -1.433   2.362   4.201
   48   HD12  LEU   6          HD12      LEU   6  -0.996   1.788   5.809
   49   HD13  LEU   6          HD13      LEU   6  -0.520   3.404   5.291
   50   HD21  LEU   6          HD21      LEU   6   1.624  -0.061   4.560
   51   HD22  LEU   6          HD22      LEU   6   1.673   0.903   6.036
   52   HD23  LEU   6          HD23      LEU   6   0.185   0.079   5.569
   53    H    GLY   7           H        GLY   7   0.659   0.483   0.328
   54    HA2  GLY   7           HA2      GLY   7  -1.303   1.774  -1.180
   55    HA3  GLY   7           HA3      GLY   7  -0.016   0.779  -1.844
   56    H    PHE   8           H        PHE   8  -0.793  -1.671  -0.606
   57    HA   PHE   8           HA       PHE   8  -2.695  -2.567  -2.509
   58    HB2  PHE   8           HB2      PHE   8  -0.846  -3.950  -1.489
   59    HB3  PHE   8           HB3      PHE   8  -1.811  -4.031  -0.018
   60    HD1  PHE   8           HD1      PHE   8  -3.264  -5.792   0.268
   61    HD2  PHE   8           HD2      PHE   8  -2.067  -4.713  -3.672
   62    HE1  PHE   8           HE1      PHE   8  -4.467  -7.742  -0.628
   63    HE2  PHE   8           HE2      PHE   8  -3.270  -6.661  -4.574
   64    HZ   PHE   8           HZ       PHE   8  -4.473  -8.178  -3.053
   65    H    LEU   9           H        LEU   9  -2.861  -2.257   1.036
   66    HA   LEU   9           HA       LEU   9  -5.485  -3.054   1.401
   67    HB2  LEU   9           HB2      LEU   9  -4.066  -2.733   3.283
   68    HB3  LEU   9           HB3      LEU   9  -3.823  -1.033   2.885
   69    HG   LEU   9           HG       LEU   9  -6.097  -0.518   3.518
   70   HD11  LEU   9          HD11      LEU   9  -7.588  -2.151   3.168
   71   HD12  LEU   9          HD12      LEU   9  -6.389  -3.427   3.382
   72   HD13  LEU   9          HD13      LEU   9  -7.149  -2.685   4.791
   73   HD21  LEU   9          HD21      LEU   9  -4.936  -2.263   5.677
   74   HD22  LEU   9          HD22      LEU   9  -4.258  -0.693   5.242
   75   HD23  LEU   9          HD23      LEU   9  -5.908  -0.802   5.857
   76    H    LYS  10           H        LYS  10  -4.253   0.232   0.822
   77    HA   LYS  10           HA       LYS  10  -6.800   1.469   0.802
   78    HB2  LYS  10           HB2      LYS  10  -4.052   2.262  -0.070
   79    HB3  LYS  10           HB3      LYS  10  -5.421   3.246  -0.570
   80    HG2  LYS  10           HG2      LYS  10  -4.958   2.525   2.304
   81    HG3  LYS  10           HG3      LYS  10  -4.189   3.924   1.551
   82    HD2  LYS  10           HD2      LYS  10  -7.149   3.527   1.346
   83    HD3  LYS  10           HD3      LYS  10  -6.441   4.233   2.800
   84    HE2  LYS  10           HE2      LYS  10  -5.765   5.291   0.077
   85    HE3  LYS  10           HE3      LYS  10  -7.233   5.804   0.911
   86    HZ1  LYS  10           HZ1      LYS  10  -6.004   6.773   2.623
   87    HZ2  LYS  10           HZ2      LYS  10  -4.580   5.959   2.209
   88    HZ3  LYS  10           HZ3      LYS  10  -5.157   7.208   1.225
   89    H    GLY  11           H        GLY  11  -4.777   0.054  -1.713
   90    HA2  GLY  11           HA2      GLY  11  -5.914  -1.002  -3.592
   91    HA3  GLY  11           HA3      GLY  11  -7.058   0.332  -3.566
   92    H    LEU  12           H        LEU  12  -6.177  -0.042  -5.949
   93    HA   LEU  12           HA       LEU  12  -4.102   2.006  -6.346
   94    HB2  LEU  12           HB2      LEU  12  -3.281   0.750  -8.283
   95    HB3  LEU  12           HB3      LEU  12  -3.092  -0.140  -6.773
   96    HG   LEU  12           HG       LEU  12  -5.476  -0.679  -8.487
   97   HD11  LEU  12          HD11      LEU  12  -3.173  -2.401  -9.012
   98   HD12  LEU  12          HD12      LEU  12  -4.375  -1.736 -10.120
   99   HD13  LEU  12          HD13      LEU  12  -2.995  -0.756  -9.623
  100   HD21  LEU  12          HD21      LEU  12  -3.946  -1.995  -6.323
  101   HD22  LEU  12          HD22      LEU  12  -5.682  -1.966  -6.635
  102   HD23  LEU  12          HD23      LEU  12  -4.637  -3.041  -7.563
  103    HN1  NH2  13           HN1      NH2  13  -4.130   2.778  -8.713
  104    HN2  NH2  13           HN2      NH2  13  -5.649   3.112  -9.419
  Start of MODEL    6
    1    H1   ILE   1           H        ILE   1   9.279   2.522  -3.324
    2    HA   ILE   1           HA       ILE   1   8.690   4.294  -1.168
    3    HB   ILE   1           HB       ILE   1   6.784   2.405  -2.547
    4   HG12  ILE   1          HG12      ILE   1   7.515   5.247  -3.285
    5   HG13  ILE   1          HG13      ILE   1   7.998   3.808  -4.177
    6   HG21  ILE   1          HG21      ILE   1   5.073   3.974  -1.859
    7   HG22  ILE   1          HG22      ILE   1   5.979   3.418  -0.453
    8   HG23  ILE   1          HG23      ILE   1   6.291   5.018  -1.126
    9   HD11  ILE   1          HD11      ILE   1   5.300   5.061  -3.936
   10   HD12  ILE   1          HD12      ILE   1   6.196   4.599  -5.383
   11   HD13  ILE   1          HD13      ILE   1   5.468   3.358  -4.363
   12    H    PHE   2           H        PHE   2   8.124   3.876   0.900
   13    HA   PHE   2           HA       PHE   2   8.444   1.120   1.823
   14    HB2  PHE   2           HB2      PHE   2   8.510   3.787   3.228
   15    HB3  PHE   2           HB3      PHE   2   8.441   2.267   4.115
   16    HD1  PHE   2           HD1      PHE   2  10.470   4.309   1.818
   17    HD2  PHE   2           HD2      PHE   2  10.354   0.888   4.348
   18    HE1  PHE   2           HE1      PHE   2  12.916   4.108   1.654
   19    HE2  PHE   2           HE2      PHE   2  12.801   0.682   4.189
   20    HZ   PHE   2           HZ       PHE   2  14.085   2.294   2.841
   21    H    GLY   3           H        GLY   3   6.804  -0.077   2.573
   22    HA2  GLY   3           HA2      GLY   3   4.763  -0.332   3.812
   23    HA3  GLY   3           HA3      GLY   3   4.288   1.275   3.286
   24    H    THR   4           H        THR   4   5.452  -1.575   1.501
   25    HA   THR   4           HA       THR   4   3.857  -1.221  -0.736
   26    HB   THR   4           HB       THR   4   5.709  -2.781  -0.768
   27    HG1  THR   4           HG1      THR   4   3.443  -4.430  -1.119
   28   HG21  THR   4          HG21      THR   4   4.093  -4.681   0.918
   29   HG22  THR   4          HG22      THR   4   5.790  -4.799   0.452
   30   HG23  THR   4          HG23      THR   4   5.278  -3.577   1.617
   31    H    ILE   5           H        ILE   5   3.141  -2.889   2.283
   32    HA   ILE   5           HA       ILE   5   0.727  -4.100   1.464
   33    HB   ILE   5           HB       ILE   5   1.520  -3.234   4.246
   34   HG12  ILE   5          HG12      ILE   5   1.830  -5.957   2.976
   35   HG13  ILE   5          HG13      ILE   5   3.128  -4.770   3.040
   36   HG21  ILE   5          HG21      ILE   5  -0.029  -5.478   4.480
   37   HG22  ILE   5          HG22      ILE   5  -0.586  -3.822   4.717
   38   HG23  ILE   5          HG23      ILE   5  -0.811  -4.614   3.158
   39   HD11  ILE   5          HD11      ILE   5   3.406  -4.999   5.302
   40   HD12  ILE   5          HD12      ILE   5   1.756  -5.567   5.558
   41   HD13  ILE   5          HD13      ILE   5   2.955  -6.640   4.838
   42    H    LEU   6           H        LEU   6   1.358  -1.061   3.205
   43    HA   LEU   6           HA       LEU   6  -1.320  -0.265   3.463
   44    HB2  LEU   6           HB2      LEU   6   1.321   1.066   3.618
   45    HB3  LEU   6           HB3      LEU   6  -0.087   2.102   3.402
   46    HG   LEU   6           HG       LEU   6   0.242   0.127   5.658
   47   HD11  LEU   6          HD11      LEU   6   1.926   1.860   5.839
   48   HD12  LEU   6          HD12      LEU   6   0.699   3.107   5.607
   49   HD13  LEU   6          HD13      LEU   6   0.671   2.101   7.055
   50   HD21  LEU   6          HD21      LEU   6  -1.912   0.508   6.027
   51   HD22  LEU   6          HD22      LEU   6  -1.546   2.218   6.264
   52   HD23  LEU   6          HD23      LEU   6  -1.983   1.624   4.662
   53    H    GLY   7           H        GLY   7   1.095   0.480   0.966
   54    HA2  GLY   7           HA2      GLY   7  -0.599   2.171  -0.558
   55    HA3  GLY   7           HA3      GLY   7   0.876   1.404  -1.127
   56    H    PHE   8           H        PHE   8   0.089  -1.292  -0.701
   57    HA   PHE   8           HA       PHE   8  -1.192  -1.841  -3.129
   58    HB2  PHE   8           HB2      PHE   8   0.284  -3.446  -1.991
   59    HB3  PHE   8           HB3      PHE   8  -0.906  -3.630  -0.706
   60    HD1  PHE   8           HD1      PHE   8  -2.654  -5.169  -0.900
   61    HD2  PHE   8           HD2      PHE   8  -0.350  -4.149  -4.330
   62    HE1  PHE   8           HE1      PHE   8  -3.735  -6.983  -2.161
   63    HE2  PHE   8           HE2      PHE   8  -1.428  -5.961  -5.597
   64    HZ   PHE   8           HZ       PHE   8  -3.124  -7.381  -4.513
   65    H    LEU   9           H        LEU   9  -2.442  -1.992   0.198
   66    HA   LEU   9           HA       LEU   9  -5.071  -2.738  -0.546
   67    HB2  LEU   9           HB2      LEU   9  -3.842  -2.841   1.751
   68    HB3  LEU   9           HB3      LEU   9  -4.475  -1.210   1.953
   69    HG   LEU   9           HG       LEU   9  -6.768  -2.132   1.625
   70   HD11  LEU   9          HD11      LEU   9  -5.234  -4.712   1.572
   71   HD12  LEU   9          HD12      LEU   9  -6.933  -4.639   2.038
   72   HD13  LEU   9          HD13      LEU   9  -6.438  -4.120   0.427
   73   HD21  LEU   9          HD21      LEU   9  -5.964  -3.730   3.884
   74   HD22  LEU   9          HD22      LEU   9  -5.121  -2.180   3.878
   75   HD23  LEU   9          HD23      LEU   9  -6.884  -2.226   3.842
   76    H    LYS  10           H        LYS  10  -3.570   0.383   0.204
   77    HA   LYS  10           HA       LYS  10  -5.869   1.970   0.081
   78    HB2  LYS  10           HB2      LYS  10  -3.773   2.826   0.961
   79    HB3  LYS  10           HB3      LYS  10  -3.005   2.653  -0.612
   80    HG2  LYS  10           HG2      LYS  10  -3.517   4.951  -0.300
   81    HG3  LYS  10           HG3      LYS  10  -4.638   4.316  -1.507
   82    HD2  LYS  10           HD2      LYS  10  -5.933   5.657  -0.050
   83    HD3  LYS  10           HD3      LYS  10  -6.282   3.983   0.389
   84    HE2  LYS  10           HE2      LYS  10  -5.974   5.304   2.389
   85    HE3  LYS  10           HE3      LYS  10  -4.647   4.155   2.226
   86    HZ1  LYS  10           HZ1      LYS  10  -3.175   5.831   1.613
   87    HZ2  LYS  10           HZ2      LYS  10  -4.406   6.929   1.239
   88    HZ3  LYS  10           HZ3      LYS  10  -4.080   6.541   2.853
   89    H    GLY  11           H        GLY  11  -3.716   0.818  -2.465
   90    HA2  GLY  11           HA2      GLY  11  -5.103   2.337  -4.508
   91    HA3  GLY  11           HA3      GLY  11  -3.770   1.220  -4.760
   92    H    LEU  12           H        LEU  12  -6.245   1.446  -6.263
   93    HA   LEU  12           HA       LEU  12  -7.373  -1.224  -5.732
   94    HB2  LEU  12           HB2      LEU  12  -8.783   0.999  -7.183
   95    HB3  LEU  12           HB3      LEU  12  -9.468  -0.507  -6.574
   96    HG   LEU  12           HG       LEU  12  -8.717   0.504  -4.249
   97   HD11  LEU  12          HD11      LEU  12  -8.058   2.600  -5.956
   98   HD12  LEU  12          HD12      LEU  12  -9.570   3.094  -5.192
   99   HD13  LEU  12          HD13      LEU  12  -8.181   2.658  -4.197
  100   HD21  LEU  12          HD21      LEU  12 -11.150   0.696  -5.870
  101   HD22  LEU  12          HD22      LEU  12 -10.929   0.140  -4.211
  102   HD23  LEU  12          HD23      LEU  12 -11.055   1.866  -4.554
  103    HN1  NH2  13           HN1      NH2  13  -5.515  -1.946  -7.056
  104    HN2  NH2  13           HN2      NH2  13  -5.633  -1.965  -8.759
  Start of MODEL    7
    1    H1   ILE   1           H        ILE   1   9.880   0.232   0.258
    2    HA   ILE   1           HA       ILE   1   9.485  -2.008   2.133
    3    HB   ILE   1           HB       ILE   1  10.551   0.730   2.824
    4   HG12  ILE   1          HG12      ILE   1  12.061  -1.865   2.445
    5   HG13  ILE   1          HG13      ILE   1  12.115  -0.484   1.355
    6   HG21  ILE   1          HG21      ILE   1  11.140  -0.281   4.949
    7   HG22  ILE   1          HG22      ILE   1   9.414  -0.470   4.643
    8   HG23  ILE   1          HG23      ILE   1  10.506  -1.835   4.408
    9   HD11  ILE   1          HD11      ILE   1  13.113   0.870   3.112
   10   HD12  ILE   1          HD12      ILE   1  13.041  -0.503   4.217
   11   HD13  ILE   1          HD13      ILE   1  14.074  -0.573   2.788
   12    H    PHE   2           H        PHE   2   8.710   1.450   1.720
   13    HA   PHE   2           HA       PHE   2   6.129   0.930   3.043
   14    HB2  PHE   2           HB2      PHE   2   6.124   3.391   3.532
   15    HB3  PHE   2           HB3      PHE   2   7.408   2.495   4.337
   16    HD1  PHE   2           HD1      PHE   2   6.604   5.054   1.896
   17    HD2  PHE   2           HD2      PHE   2   9.731   2.703   3.573
   18    HE1  PHE   2           HE1      PHE   2   8.268   6.592   0.939
   19    HE2  PHE   2           HE2      PHE   2  11.401   4.240   2.619
   20    HZ   PHE   2           HZ       PHE   2  10.670   6.187   1.301
   21    H    GLY   3           H        GLY   3   4.304   2.275   2.286
   22    HA2  GLY   3           HA2      GLY   3   3.209   3.539   0.605
   23    HA3  GLY   3           HA3      GLY   3   4.552   3.211  -0.480
   24    H    THR   4           H        THR   4   4.758   0.491  -0.375
   25    HA   THR   4           HA       THR   4   2.863  -0.374  -2.201
   26    HB   THR   4           HB       THR   4   3.576  -2.743  -1.322
   27    HG1  THR   4           HG1      THR   4   5.231  -2.756   0.069
   28   HG21  THR   4          HG21      THR   4   4.687  -0.873  -3.130
   29   HG22  THR   4          HG22      THR   4   6.033  -1.642  -2.287
   30   HG23  THR   4          HG23      THR   4   4.849  -2.630  -3.146
   31    H    ILE   5           H        ILE   5   3.031  -1.181   1.270
   32    HA   ILE   5           HA       ILE   5   0.704  -2.681   1.438
   33    HB   ILE   5           HB       ILE   5   1.784  -0.838   3.573
   34   HG12  ILE   5          HG12      ILE   5   3.526  -2.343   2.757
   35   HG13  ILE   5          HG13      ILE   5   3.013  -2.824   4.371
   36   HG21  ILE   5          HG21      ILE   5   0.660  -3.241   4.590
   37   HG22  ILE   5          HG22      ILE   5   0.133  -1.579   4.854
   38   HG23  ILE   5          HG23      ILE   5  -0.507  -2.502   3.495
   39   HD11  ILE   5          HD11      ILE   5   2.675  -4.866   3.607
   40   HD12  ILE   5          HD12      ILE   5   1.402  -4.243   2.558
   41   HD13  ILE   5          HD13      ILE   5   3.060  -4.349   1.966
   42    H    LEU   6           H        LEU   6   1.061   0.777   2.251
   43    HA   LEU   6           HA       LEU   6  -1.592   1.358   2.736
   44    HB2  LEU   6           HB2      LEU   6   0.754   2.925   1.824
   45    HB3  LEU   6           HB3      LEU   6  -0.834   3.675   1.663
   46    HG   LEU   6           HG       LEU   6   0.143   2.563   4.280
   47   HD11  LEU   6          HD11      LEU   6   1.598   4.217   4.502
   48   HD12  LEU   6          HD12      LEU   6   1.227   4.782   2.874
   49   HD13  LEU   6          HD13      LEU   6   0.306   5.389   4.249
   50   HD21  LEU   6          HD21      LEU   6  -2.185   2.938   4.297
   51   HD22  LEU   6          HD22      LEU   6  -1.471   4.339   5.098
   52   HD23  LEU   6          HD23      LEU   6  -2.025   4.465   3.429
   53    H    GLY   7           H        GLY   7   0.141   1.590  -0.368
   54    HA2  GLY   7           HA2      GLY   7  -2.038   2.456  -1.908
   55    HA3  GLY   7           HA3      GLY   7  -0.626   1.613  -2.530
   56    H    PHE   8           H        PHE   8  -1.053  -0.769  -0.924
   57    HA   PHE   8           HA       PHE   8  -2.769  -2.166  -2.707
   58    HB2  PHE   8           HB2      PHE   8  -1.116  -2.864  -0.336
   59    HB3  PHE   8           HB3      PHE   8  -2.412  -3.974  -0.765
   60    HD1  PHE   8           HD1      PHE   8  -1.394  -5.830  -1.688
   61    HD2  PHE   8           HD2      PHE   8  -0.158  -1.951  -2.926
   62    HE1  PHE   8           HE1      PHE   8   0.044  -6.841  -3.408
   63    HE2  PHE   8           HE2      PHE   8   1.281  -2.956  -4.650
   64    HZ   PHE   8           HZ       PHE   8   1.384  -5.404  -4.892
   65    H    LEU   9           H        LEU   9  -3.062  -1.159   0.676
   66    HA   LEU   9           HA       LEU   9  -5.586  -2.354   1.127
   67    HB2  LEU   9           HB2      LEU   9  -3.886  -0.354   2.500
   68    HB3  LEU   9           HB3      LEU   9  -5.598  -0.376   2.920
   69    HG   LEU   9           HG       LEU   9  -4.314  -1.689   4.502
   70   HD11  LEU   9          HD11      LEU   9  -6.029  -3.080   4.681
   71   HD12  LEU   9          HD12      LEU   9  -6.557  -2.565   3.079
   72   HD13  LEU   9          HD13      LEU   9  -5.514  -3.978   3.252
   73   HD21  LEU   9          HD21      LEU   9  -2.465  -2.255   2.936
   74   HD22  LEU   9          HD22      LEU   9  -3.058  -3.631   3.867
   75   HD23  LEU   9          HD23      LEU   9  -3.528  -3.440   2.178
   76    H    LYS  10           H        LYS  10  -4.668   1.012   0.411
   77    HA   LYS  10           HA       LYS  10  -7.314   1.987   0.253
   78    HB2  LYS  10           HB2      LYS  10  -6.345   3.972  -0.739
   79    HB3  LYS  10           HB3      LYS  10  -5.325   3.424   0.585
   80    HG2  LYS  10           HG2      LYS  10  -3.683   3.765  -0.909
   81    HG3  LYS  10           HG3      LYS  10  -4.138   2.151  -1.460
   82    HD2  LYS  10           HD2      LYS  10  -5.136   2.931  -3.354
   83    HD3  LYS  10           HD3      LYS  10  -5.625   4.451  -2.601
   84    HE2  LYS  10           HE2      LYS  10  -2.746   3.828  -3.183
   85    HE3  LYS  10           HE3      LYS  10  -3.804   4.534  -4.404
   86    HZ1  LYS  10           HZ1      LYS  10  -4.112   5.985  -2.032
   87    HZ2  LYS  10           HZ2      LYS  10  -2.452   5.831  -2.326
   88    HZ3  LYS  10           HZ3      LYS  10  -3.461   6.510  -3.502
   89    H    GLY  11           H        GLY  11  -5.132   0.580  -2.121
   90    HA2  GLY  11           HA2      GLY  11  -6.800   1.205  -4.373
   91    HA3  GLY  11           HA3      GLY  11  -5.415   0.124  -4.369
   92    H    LEU  12           H        LEU  12  -8.493   0.132  -5.145
   93    HA   LEU  12           HA       LEU  12 -10.152  -1.413  -5.341
   94    HB2  LEU  12           HB2      LEU  12  -7.731  -3.163  -5.035
   95    HB3  LEU  12           HB3      LEU  12  -9.338  -3.832  -5.304
   96    HG   LEU  12           HG       LEU  12  -8.020  -1.888  -7.191
   97   HD11  LEU  12          HD11      LEU  12  -6.592  -3.761  -7.218
   98   HD12  LEU  12          HD12      LEU  12  -7.943  -4.891  -7.121
   99   HD13  LEU  12          HD13      LEU  12  -7.673  -3.965  -8.597
  100   HD21  LEU  12          HD21      LEU  12 -10.326  -3.798  -7.562
  101   HD22  LEU  12          HD22      LEU  12 -10.478  -2.063  -7.284
  102   HD23  LEU  12          HD23      LEU  12  -9.700  -2.656  -8.751
  103    HN1  NH2  13           HN1      NH2  13 -10.135  -0.289  -2.879
  104    HN2  NH2  13           HN2      NH2  13 -10.547  -1.401  -1.651
  Start of MODEL    8
    1    H1   ILE   1           H        ILE   1   3.782   6.352  -2.162
    2    HA   ILE   1           HA       ILE   1   3.816   4.107  -2.551
    3    HB   ILE   1           HB       ILE   1   6.379   4.672  -4.041
    4   HG12  ILE   1          HG12      ILE   1   4.279   4.611  -5.869
    5   HG13  ILE   1          HG13      ILE   1   3.658   5.576  -4.536
    6   HG21  ILE   1          HG21      ILE   1   6.138   2.656  -5.052
    7   HG22  ILE   1          HG22      ILE   1   5.316   2.278  -3.538
    8   HG23  ILE   1          HG23      ILE   1   4.377   2.701  -4.970
    9   HD11  ILE   1          HD11      ILE   1   4.970   6.671  -6.520
   10   HD12  ILE   1          HD12      ILE   1   5.168   7.251  -4.866
   11   HD13  ILE   1          HD13      ILE   1   6.374   6.177  -5.574
   12    H    PHE   2           H        PHE   2   4.344   3.991  -0.175
   13    HA   PHE   2           HA       PHE   2   6.877   2.534   0.172
   14    HB2  PHE   2           HB2      PHE   2   6.845   4.877   1.195
   15    HB3  PHE   2           HB3      PHE   2   5.660   4.246   2.334
   16    HD1  PHE   2           HD1      PHE   2   9.126   3.842   1.113
   17    HD2  PHE   2           HD2      PHE   2   6.323   2.983   4.198
   18    HE1  PHE   2           HE1      PHE   2  10.950   2.994   2.530
   19    HE2  PHE   2           HE2      PHE   2   8.142   2.136   5.621
   20    HZ   PHE   2           HZ       PHE   2  10.460   2.140   4.788
   21    H    GLY   3           H        GLY   3   6.594   0.523   0.870
   22    HA2  GLY   3           HA2      GLY   3   5.751  -1.192   2.215
   23    HA3  GLY   3           HA3      GLY   3   4.486  -0.103   2.768
   24    H    THR   4           H        THR   4   5.245  -2.696   0.743
   25    HA   THR   4           HA       THR   4   3.413  -2.428  -1.346
   26    HB   THR   4           HB       THR   4   4.273  -4.989   0.015
   27    HG1  THR   4           HG1      THR   4   6.108  -4.051  -0.737
   28   HG21  THR   4          HG21      THR   4   2.395  -4.522  -2.057
   29   HG22  THR   4          HG22      THR   4   3.825  -5.248  -2.790
   30   HG23  THR   4          HG23      THR   4   3.003  -6.067  -1.462
   31    H    ILE   5           H        ILE   5   3.006  -4.046   1.801
   32    HA   ILE   5           HA       ILE   5   0.306  -4.759   1.409
   33    HB   ILE   5           HB       ILE   5   1.712  -4.266   4.036
   34   HG12  ILE   5          HG12      ILE   5   1.386  -6.874   2.540
   35   HG13  ILE   5          HG13      ILE   5   2.851  -5.899   2.497
   36   HG21  ILE   5          HG21      ILE   5  -0.399  -4.530   4.778
   37   HG22  ILE   5          HG22      ILE   5  -0.939  -5.305   3.288
   38   HG23  ILE   5          HG23      ILE   5  -0.068  -6.240   4.504
   39   HD11  ILE   5          HD11      ILE   5   2.508  -7.922   4.184
   40   HD12  ILE   5          HD12      ILE   5   3.474  -6.501   4.582
   41   HD13  ILE   5          HD13      ILE   5   1.814  -6.630   5.164
   42    H    LEU   6           H        LEU   6   1.840  -1.884   2.731
   43    HA   LEU   6           HA       LEU   6  -0.447  -0.684   3.839
   44    HB2  LEU   6           HB2      LEU   6   2.273   0.110   3.150
   45    HB3  LEU   6           HB3      LEU   6   1.107   1.422   2.992
   46    HG   LEU   6           HG       LEU   6   0.424   0.587   5.425
   47   HD11  LEU   6          HD11      LEU   6   2.896  -0.788   4.873
   48   HD12  LEU   6          HD12      LEU   6   3.071   0.304   6.246
   49   HD13  LEU   6          HD13      LEU   6   1.813  -0.931   6.256
   50   HD21  LEU   6          HD21      LEU   6   2.860   2.188   5.567
   51   HD22  LEU   6          HD22      LEU   6   1.713   2.759   4.355
   52   HD23  LEU   6          HD23      LEU   6   1.209   2.589   6.037
   53    H    GLY   7           H        GLY   7   1.135  -0.048   0.700
   54    HA2  GLY   7           HA2      GLY   7  -0.855   1.686  -0.275
   55    HA3  GLY   7           HA3      GLY   7   0.307   0.811  -1.261
   56    H    PHE   8           H        PHE   8  -0.445  -1.814  -0.640
   57    HA   PHE   8           HA       PHE   8  -2.416  -2.323  -2.508
   58    HB2  PHE   8           HB2      PHE   8  -0.923  -4.075  -1.785
   59    HB3  PHE   8           HB3      PHE   8  -1.545  -3.988  -0.141
   60    HD1  PHE   8           HD1      PHE   8  -2.664  -5.923   0.375
   61    HD2  PHE   8           HD2      PHE   8  -3.195  -4.198  -3.481
   62    HE1  PHE   8           HE1      PHE   8  -4.327  -7.653  -0.167
   63    HE2  PHE   8           HE2      PHE   8  -4.860  -5.925  -4.027
   64    HZ   PHE   8           HZ       PHE   8  -5.427  -7.656  -2.370
   65    H    LEU   9           H        LEU   9  -2.735  -2.029   1.010
   66    HA   LEU   9           HA       LEU   9  -5.468  -2.660   1.171
   67    HB2  LEU   9           HB2      LEU   9  -3.812  -2.517   3.062
   68    HB3  LEU   9           HB3      LEU   9  -3.981  -0.765   2.976
   69    HG   LEU   9           HG       LEU   9  -6.477  -1.168   3.386
   70   HD11  LEU   9          HD11      LEU   9  -6.900  -3.398   3.116
   71   HD12  LEU   9          HD12      LEU   9  -5.350  -3.890   3.800
   72   HD13  LEU   9          HD13      LEU   9  -6.648  -3.340   4.860
   73   HD21  LEU   9          HD21      LEU   9  -5.701  -0.238   5.263
   74   HD22  LEU   9          HD22      LEU   9  -5.673  -1.877   5.913
   75   HD23  LEU   9          HD23      LEU   9  -4.210  -1.178   5.218
   76    H    LYS  10           H        LYS  10  -3.868   0.526   1.125
   77    HA   LYS  10           HA       LYS  10  -6.138   2.115   1.130
   78    HB2  LYS  10           HB2      LYS  10  -3.353   2.473   0.115
   79    HB3  LYS  10           HB3      LYS  10  -4.560   3.677  -0.313
   80    HG2  LYS  10           HG2      LYS  10  -4.952   4.218   1.965
   81    HG3  LYS  10           HG3      LYS  10  -3.998   2.839   2.519
   82    HD2  LYS  10           HD2      LYS  10  -2.078   3.987   1.176
   83    HD3  LYS  10           HD3      LYS  10  -3.084   5.429   1.333
   84    HE2  LYS  10           HE2      LYS  10  -2.491   3.774   3.747
   85    HE3  LYS  10           HE3      LYS  10  -1.264   4.878   3.129
   86    HZ1  LYS  10           HZ1      LYS  10  -3.338   5.518   4.798
   87    HZ2  LYS  10           HZ2      LYS  10  -2.342   6.608   3.972
   88    HZ3  LYS  10           HZ3      LYS  10  -3.818   6.131   3.295
   89    H    GLY  11           H        GLY  11  -4.560   0.462  -1.549
   90    HA2  GLY  11           HA2      GLY  11  -6.353  -0.232  -3.238
   91    HA3  GLY  11           HA3      GLY  11  -6.641   1.497  -3.364
   92    H    LEU  12           H        LEU  12  -5.986  -0.046  -5.574
   93    HA   LEU  12           HA       LEU  12  -4.548  -0.197  -7.335
   94    HB2  LEU  12           HB2      LEU  12  -3.849   2.458  -6.131
   95    HB3  LEU  12           HB3      LEU  12  -3.029   1.864  -7.574
   96    HG   LEU  12           HG       LEU  12  -6.018   2.069  -7.497
   97   HD11  LEU  12          HD11      LEU  12  -4.882   4.249  -6.801
   98   HD12  LEU  12          HD12      LEU  12  -4.262   4.305  -8.451
   99   HD13  LEU  12          HD13      LEU  12  -6.002   4.308  -8.162
  100   HD21  LEU  12          HD21      LEU  12  -4.957   2.771  -9.980
  101   HD22  LEU  12          HD22      LEU  12  -3.984   1.408  -9.427
  102   HD23  LEU  12          HD23      LEU  12  -5.737   1.251  -9.543
  103    HN1  NH2  13           HN1      NH2  13  -3.730  -1.790  -5.302
  104    HN2  NH2  13           HN2      NH2  13  -2.030  -1.837  -5.156
  Start of MODEL    9
    1    H1   ILE   1           H        ILE   1   8.613   4.181  -3.378
    2    HA   ILE   1           HA       ILE   1   6.075   3.829  -2.137
    3    HB   ILE   1           HB       ILE   1   8.201   1.771  -2.744
    4   HG12  ILE   1          HG12      ILE   1   5.722   2.465  -4.328
    5   HG13  ILE   1          HG13      ILE   1   7.323   3.096  -4.699
    6   HG21  ILE   1          HG21      ILE   1   6.208   0.214  -2.722
    7   HG22  ILE   1          HG22      ILE   1   6.734   0.826  -1.153
    8   HG23  ILE   1          HG23      ILE   1   5.316   1.519  -1.940
    9   HD11  ILE   1          HD11      ILE   1   6.146   0.649  -5.502
   10   HD12  ILE   1          HD12      ILE   1   7.734   1.301  -5.911
   11   HD13  ILE   1          HD13      ILE   1   7.538   0.286  -4.481
   12    H    PHE   2           H        PHE   2   5.543   3.162  -0.105
   13    HA   PHE   2           HA       PHE   2   7.718   3.190   1.871
   14    HB2  PHE   2           HB2      PHE   2   4.761   3.740   2.184
   15    HB3  PHE   2           HB3      PHE   2   5.903   3.679   3.522
   16    HD1  PHE   2           HD1      PHE   2   4.216   5.811   1.386
   17    HD2  PHE   2           HD2      PHE   2   8.070   5.213   3.093
   18    HE1  PHE   2           HE1      PHE   2   4.733   8.191   1.043
   19    HE2  PHE   2           HE2      PHE   2   8.593   7.592   2.753
   20    HZ   PHE   2           HZ       PHE   2   6.924   9.086   1.728
   21    H    GLY   3           H        GLY   3   4.856   1.414   0.822
   22    HA2  GLY   3           HA2      GLY   3   5.885  -1.092   1.557
   23    HA3  GLY   3           HA3      GLY   3   4.831  -0.533   2.848
   24    H    THR   4           H        THR   4   4.878  -2.482   0.279
   25    HA   THR   4           HA       THR   4   2.595  -1.858  -1.214
   26    HB   THR   4           HB       THR   4   3.703  -4.604  -0.593
   27    HG1  THR   4           HG1      THR   4   5.301  -3.530  -1.634
   28   HG21  THR   4          HG21      THR   4   1.413  -3.729  -2.117
   29   HG22  THR   4          HG22      THR   4   2.586  -4.540  -3.155
   30   HG23  THR   4          HG23      THR   4   1.945  -5.367  -1.736
   31    H    ILE   5           H        ILE   5   2.976  -3.709   1.773
   32    HA   ILE   5           HA       ILE   5   0.452  -4.800   2.023
   33    HB   ILE   5           HB       ILE   5   2.133  -3.656   4.258
   34   HG12  ILE   5          HG12      ILE   5   3.386  -5.270   2.921
   35   HG13  ILE   5          HG13      ILE   5   2.984  -5.961   4.490
   36   HG21  ILE   5          HG21      ILE   5   0.167  -4.070   5.334
   37   HG22  ILE   5          HG22      ILE   5  -0.330  -5.313   4.185
   38   HG23  ILE   5          HG23      ILE   5   0.880  -5.681   5.415
   39   HD11  ILE   5          HD11      ILE   5   2.227  -6.816   1.813
   40   HD12  ILE   5          HD12      ILE   5   2.298  -7.726   3.323
   41   HD13  ILE   5          HD13      ILE   5   0.876  -6.755   2.945
   42    H    LEU   6           H        LEU   6   1.524  -1.517   2.707
   43    HA   LEU   6           HA       LEU   6  -1.028  -0.734   3.809
   44    HB2  LEU   6           HB2      LEU   6   1.345   0.941   2.998
   45    HB3  LEU   6           HB3      LEU   6  -0.051   1.506   3.914
   46    HG   LEU   6           HG       LEU   6   0.683  -0.350   5.609
   47   HD11  LEU   6          HD11      LEU   6   2.998  -0.108   3.779
   48   HD12  LEU   6          HD12      LEU   6   3.337  -0.183   5.508
   49   HD13  LEU   6          HD13      LEU   6   2.437  -1.485   4.728
   50   HD21  LEU   6          HD21      LEU   6   0.639   1.918   6.265
   51   HD22  LEU   6          HD22      LEU   6   2.260   1.336   6.646
   52   HD23  LEU   6          HD23      LEU   6   1.994   2.329   5.213
   53    H    GLY   7           H        GLY   7   0.840   0.086   0.883
   54    HA2  GLY   7           HA2      GLY   7  -0.989   1.755  -0.348
   55    HA3  GLY   7           HA3      GLY   7   0.141   0.721  -1.211
   56    H    PHE   8           H        PHE   8  -0.972  -1.759  -0.212
   57    HA   PHE   8           HA       PHE   8  -2.803  -2.327  -2.221
   58    HB2  PHE   8           HB2      PHE   8  -1.466  -3.994  -0.891
   59    HB3  PHE   8           HB3      PHE   8  -2.616  -3.778   0.424
   60    HD1  PHE   8           HD1      PHE   8  -4.824  -4.708   0.311
   61    HD2  PHE   8           HD2      PHE   8  -2.123  -5.105  -2.955
   62    HE1  PHE   8           HE1      PHE   8  -6.282  -6.425  -0.681
   63    HE2  PHE   8           HE2      PHE   8  -3.577  -6.821  -3.953
   64    HZ   PHE   8           HZ       PHE   8  -5.659  -7.483  -2.817
   65    H    LEU   9           H        LEU   9  -3.471  -1.845   1.248
   66    HA   LEU   9           HA       LEU   9  -6.279  -1.942   0.987
   67    HB2  LEU   9           HB2      LEU   9  -4.820  -2.185   3.085
   68    HB3  LEU   9           HB3      LEU   9  -4.839  -0.424   3.136
   69    HG   LEU   9           HG       LEU   9  -7.451  -0.790   3.049
   70   HD11  LEU   9          HD11      LEU   9  -6.860  -3.168   4.701
   71   HD12  LEU   9          HD12      LEU   9  -8.268  -2.793   3.708
   72   HD13  LEU   9          HD13      LEU   9  -6.786  -3.379   2.952
   73   HD21  LEU   9          HD21      LEU   9  -5.487  -0.622   5.207
   74   HD22  LEU   9          HD22      LEU   9  -6.960   0.308   4.937
   75   HD23  LEU   9          HD23      LEU   9  -7.045  -1.275   5.709
   76    H    LYS  10           H        LYS  10  -3.953   0.691   0.848
   77    HA   LYS  10           HA       LYS  10  -5.773   2.834   0.942
   78    HB2  LYS  10           HB2      LYS  10  -2.983   2.501  -0.101
   79    HB3  LYS  10           HB3      LYS  10  -3.860   3.992  -0.419
   80    HG2  LYS  10           HG2      LYS  10  -3.700   2.963   2.374
   81    HG3  LYS  10           HG3      LYS  10  -2.305   3.782   1.664
   82    HD2  LYS  10           HD2      LYS  10  -5.028   5.019   1.513
   83    HD3  LYS  10           HD3      LYS  10  -4.061   5.167   2.982
   84    HE2  LYS  10           HE2      LYS  10  -2.856   5.827   0.327
   85    HE3  LYS  10           HE3      LYS  10  -3.911   6.993   1.125
   86    HZ1  LYS  10           HZ1      LYS  10  -1.215   6.205   1.776
   87    HZ2  LYS  10           HZ2      LYS  10  -2.043   7.635   2.141
   88    HZ3  LYS  10           HZ3      LYS  10  -2.249   6.266   3.113
   89    H    GLY  11           H        GLY  11  -4.638   0.814  -1.705
   90    HA2  GLY  11           HA2      GLY  11  -6.167   0.413  -3.551
   91    HA3  GLY  11           HA3      GLY  11  -6.664   2.095  -3.426
   92    H    LEU  12           H        LEU  12  -4.950   0.011  -5.262
   93    HA   LEU  12           HA       LEU  12  -2.555   1.263  -5.881
   94    HB2  LEU  12           HB2      LEU  12  -4.390  -0.145  -7.814
   95    HB3  LEU  12           HB3      LEU  12  -2.658   0.120  -8.015
   96    HG   LEU  12           HG       LEU  12  -3.604  -1.443  -5.659
   97   HD11  LEU  12          HD11      LEU  12  -3.093  -3.372  -7.533
   98   HD12  LEU  12          HD12      LEU  12  -4.691  -2.888  -6.967
   99   HD13  LEU  12          HD13      LEU  12  -4.031  -2.190  -8.445
  100   HD21  LEU  12          HD21      LEU  12  -1.270  -2.065  -7.411
  101   HD22  LEU  12          HD22      LEU  12  -1.181  -0.702  -6.296
  102   HD23  LEU  12          HD23      LEU  12  -1.480  -2.327  -5.679
  103    HN1  NH2  13           HN1      NH2  13  -2.018   2.464  -7.893
  104    HN2  NH2  13           HN2      NH2  13  -3.036   3.726  -8.428
  Start of MODEL   10
    1    H1   ILE   1           H        ILE   1  11.195   4.519   1.225
    2    HA   ILE   1           HA       ILE   1   9.866   2.903  -0.793
    3    HB   ILE   1           HB       ILE   1   9.350   1.368   1.058
    4   HG12  ILE   1          HG12      ILE   1  10.968   3.203   2.825
    5   HG13  ILE   1          HG13      ILE   1   9.210   3.242   2.775
    6   HG21  ILE   1          HG21      ILE   1  11.451   0.457   1.141
    7   HG22  ILE   1          HG22      ILE   1  11.648   1.586  -0.199
    8   HG23  ILE   1          HG23      ILE   1  12.234   2.014   1.409
    9   HD11  ILE   1          HD11      ILE   1   9.209   1.680   4.336
   10   HD12  ILE   1          HD12      ILE   1   9.881   0.561   3.149
   11   HD13  ILE   1          HD13      ILE   1  10.957   1.477   4.205
   12    H    PHE   2           H        PHE   2   7.632   2.015  -0.076
   13    HA   PHE   2           HA       PHE   2   5.978   4.268   0.854
   14    HB2  PHE   2           HB2      PHE   2   5.702   2.514  -1.536
   15    HB3  PHE   2           HB3      PHE   2   4.225   2.996  -0.707
   16    HD1  PHE   2           HD1      PHE   2   6.837   3.993  -2.954
   17    HD2  PHE   2           HD2      PHE   2   3.739   5.443  -0.420
   18    HE1  PHE   2           HE1      PHE   2   6.886   6.151  -4.135
   19    HE2  PHE   2           HE2      PHE   2   3.783   7.603  -1.597
   20    HZ   PHE   2           HZ       PHE   2   5.356   7.959  -3.458
   21    H    GLY   3           H        GLY   3   6.061   0.735   0.428
   22    HA2  GLY   3           HA2      GLY   3   5.707  -0.666   2.390
   23    HA3  GLY   3           HA3      GLY   3   4.525   0.513   2.939
   24    H    THR   4           H        THR   4   5.097  -2.268   0.998
   25    HA   THR   4           HA       THR   4   2.870  -2.292  -0.666
   26    HB   THR   4           HB       THR   4   3.045  -4.850  -0.423
   27    HG1  THR   4           HG1      THR   4   5.080  -5.473   0.555
   28   HG21  THR   4          HG21      THR   4   5.708  -3.786  -1.181
   29   HG22  THR   4          HG22      THR   4   4.625  -4.863  -2.064
   30   HG23  THR   4          HG23      THR   4   4.308  -3.129  -2.030
   31    H    ILE   5           H        ILE   5   3.191  -3.315   2.703
   32    HA   ILE   5           HA       ILE   5   0.720  -4.536   3.052
   33    HB   ILE   5           HB       ILE   5   2.231  -2.872   5.070
   34   HG12  ILE   5          HG12      ILE   5   2.291  -5.863   4.636
   35   HG13  ILE   5          HG13      ILE   5   3.511  -4.757   4.014
   36   HG21  ILE   5          HG21      ILE   5   0.008  -3.200   5.856
   37   HG22  ILE   5          HG22      ILE   5   0.028  -4.899   5.381
   38   HG23  ILE   5          HG23      ILE   5   1.041  -4.343   6.714
   39   HD11  ILE   5          HD11      ILE   5   3.957  -4.053   6.359
   40   HD12  ILE   5          HD12      ILE   5   2.867  -5.333   6.891
   41   HD13  ILE   5          HD13      ILE   5   4.342  -5.739   6.013
   42    H    LEU   6           H        LEU   6   1.586  -1.122   3.111
   43    HA   LEU   6           HA       LEU   6  -1.036  -0.275   3.946
   44    HB2  LEU   6           HB2      LEU   6   1.523   1.037   3.228
   45    HB3  LEU   6           HB3      LEU   6   0.051   1.988   3.042
   46    HG   LEU   6           HG       LEU   6   1.244   2.335   5.201
   47   HD11  LEU   6          HD11      LEU   6  -1.202   1.269   6.255
   48   HD12  LEU   6          HD12      LEU   6  -0.732   2.949   5.995
   49   HD13  LEU   6          HD13      LEU   6  -1.494   2.034   4.694
   50   HD21  LEU   6          HD21      LEU   6   1.646  -0.308   5.254
   51   HD22  LEU   6          HD22      LEU   6   1.622   0.688   6.709
   52   HD23  LEU   6          HD23      LEU   6   0.187  -0.223   6.241
   53    H    GLY   7           H        GLY   7   0.859   0.083   0.941
   54    HA2  GLY   7           HA2      GLY   7  -1.073   1.274  -0.637
   55    HA3  GLY   7           HA3      GLY   7   0.181   0.208  -1.251
   56    H    PHE   8           H        PHE   8  -0.743  -2.111   0.237
   57    HA   PHE   8           HA       PHE   8  -2.377  -3.308  -1.639
   58    HB2  PHE   8           HB2      PHE   8  -1.038  -4.446   0.178
   59    HB3  PHE   8           HB3      PHE   8  -2.345  -4.048   1.288
   60    HD1  PHE   8           HD1      PHE   8  -4.213  -5.427   1.468
   61    HD2  PHE   8           HD2      PHE   8  -1.589  -5.865  -1.855
   62    HE1  PHE   8           HE1      PHE   8  -5.402  -7.477   0.804
   63    HE2  PHE   8           HE2      PHE   8  -2.774  -7.915  -2.524
   64    HZ   PHE   8           HZ       PHE   8  -4.683  -8.724  -1.195
   65    H    LEU   9           H        LEU   9  -3.263  -1.487   1.232
   66    HA   LEU   9           HA       LEU   9  -6.049  -2.114   1.091
   67    HB2  LEU   9           HB2      LEU   9  -4.334  -0.288   2.676
   68    HB3  LEU   9           HB3      LEU   9  -6.048   0.104   2.567
   69    HG   LEU   9           HG       LEU   9  -5.582  -1.136   4.597
   70   HD11  LEU   9          HD11      LEU   9  -6.923  -3.283   3.148
   71   HD12  LEU   9          HD12      LEU   9  -7.507  -2.259   4.461
   72   HD13  LEU   9          HD13      LEU   9  -7.572  -1.681   2.797
   73   HD21  LEU   9          HD21      LEU   9  -4.871  -3.589   3.071
   74   HD22  LEU   9          HD22      LEU   9  -3.619  -2.379   3.352
   75   HD23  LEU   9          HD23      LEU   9  -4.452  -3.120   4.719
   76    H    LYS  10           H        LYS  10  -4.125   0.762   0.263
   77    HA   LYS  10           HA       LYS  10  -6.204   2.358  -0.683
   78    HB2  LYS  10           HB2      LYS  10  -3.968   3.237  -0.277
   79    HB3  LYS  10           HB3      LYS  10  -3.318   2.252  -1.580
   80    HG2  LYS  10           HG2      LYS  10  -3.518   4.420  -2.454
   81    HG3  LYS  10           HG3      LYS  10  -4.871   3.509  -3.129
   82    HD2  LYS  10           HD2      LYS  10  -5.962   5.410  -2.468
   83    HD3  LYS  10           HD3      LYS  10  -6.117   4.443  -0.998
   84    HE2  LYS  10           HE2      LYS  10  -3.771   6.262  -1.374
   85    HE3  LYS  10           HE3      LYS  10  -5.319   6.908  -0.833
   86    HZ1  LYS  10           HZ1      LYS  10  -4.541   6.379   1.185
   87    HZ2  LYS  10           HZ2      LYS  10  -5.009   4.801   0.792
   88    HZ3  LYS  10           HZ3      LYS  10  -3.399   5.282   0.590
   89    H    GLY  11           H        GLY  11  -4.310  -0.133  -2.315
   90    HA2  GLY  11           HA2      GLY  11  -4.850  -1.371  -4.190
   91    HA3  GLY  11           HA3      GLY  11  -6.382  -0.515  -4.263
   92    H    LEU  12           H        LEU  12  -6.666   0.813  -5.925
   93    HA   LEU  12           HA       LEU  12  -4.274   1.852  -7.297
   94    HB2  LEU  12           HB2      LEU  12  -6.901   1.001  -8.505
   95    HB3  LEU  12           HB3      LEU  12  -5.580   1.763  -9.388
   96    HG   LEU  12           HG       LEU  12  -5.550  -0.964  -8.101
   97   HD11  LEU  12          HD11      LEU  12  -6.760  -0.457 -10.356
   98   HD12  LEU  12          HD12      LEU  12  -5.119  -0.404 -10.999
   99   HD13  LEU  12          HD13      LEU  12  -5.711  -1.866 -10.209
  100   HD21  LEU  12          HD21      LEU  12  -3.369  -0.058  -7.846
  101   HD22  LEU  12          HD22      LEU  12  -3.317  -1.139  -9.239
  102   HD23  LEU  12          HD23      LEU  12  -3.384   0.607  -9.480
  103    HN1  NH2  13           HN1      NH2  13  -7.786   2.455  -7.440
  104    HN2  NH2  13           HN2      NH2  13  -7.733   4.149  -7.226
  Start of MODEL   11
    1    H1   ILE   1           H        ILE   1   7.711   6.174  -0.819
    2    HA   ILE   1           HA       ILE   1   7.225   4.409  -3.116
    3    HB   ILE   1           HB       ILE   1   9.584   4.432  -1.232
    4   HG12  ILE   1          HG12      ILE   1   9.452   6.471  -2.620
    5   HG13  ILE   1          HG13      ILE   1  10.825   5.461  -3.064
    6   HG21  ILE   1          HG21      ILE   1   8.783   2.725  -3.521
    7   HG22  ILE   1          HG22      ILE   1  10.491   3.137  -3.362
    8   HG23  ILE   1          HG23      ILE   1   9.657   2.308  -2.047
    9   HD11  ILE   1          HD11      ILE   1   8.854   6.491  -4.744
   10   HD12  ILE   1          HD12      ILE   1  10.114   5.326  -5.152
   11   HD13  ILE   1          HD13      ILE   1   8.526   4.761  -4.631
   12    H    PHE   2           H        PHE   2   8.323   3.931   0.244
   13    HA   PHE   2           HA       PHE   2   7.405   1.298   0.455
   14    HB2  PHE   2           HB2      PHE   2   8.017   3.395   2.534
   15    HB3  PHE   2           HB3      PHE   2   7.526   1.761   2.967
   16    HD1  PHE   2           HD1      PHE   2  10.264   3.794   2.618
   17    HD2  PHE   2           HD2      PHE   2   8.908  -0.089   1.522
   18    HE1  PHE   2           HE1      PHE   2  12.597   3.042   2.411
   19    HE2  PHE   2           HE2      PHE   2  11.240  -0.847   1.313
   20    HZ   PHE   2           HZ       PHE   2  13.087   0.719   1.756
   21    H    GLY   3           H        GLY   3   5.672   0.476   1.856
   22    HA2  GLY   3           HA2      GLY   3   3.586   0.945   3.033
   23    HA3  GLY   3           HA3      GLY   3   3.336   2.282   1.920
   24    H    THR   4           H        THR   4   4.385  -0.998   1.127
   25    HA   THR   4           HA       THR   4   2.473  -1.215  -0.971
   26    HB   THR   4           HB       THR   4   3.277  -3.541  -1.202
   27    HG1  THR   4           HG1      THR   4   4.759  -4.357   0.245
   28   HG21  THR   4          HG21      THR   4   5.869  -2.722  -1.183
   29   HG22  THR   4          HG22      THR   4   4.717  -2.349  -2.465
   30   HG23  THR   4          HG23      THR   4   5.023  -1.174  -1.187
   31    H    ILE   5           H        ILE   5   2.805  -2.839   2.180
   32    HA   ILE   5           HA       ILE   5   0.545  -4.454   2.031
   33    HB   ILE   5           HB       ILE   5   1.704  -3.156   4.500
   34   HG12  ILE   5          HG12      ILE   5   2.235  -5.918   3.399
   35   HG13  ILE   5          HG13      ILE   5   3.277  -4.536   3.083
   36   HG21  ILE   5          HG21      ILE   5   0.714  -5.413   5.443
   37   HG22  ILE   5          HG22      ILE   5  -0.281  -3.964   5.291
   38   HG23  ILE   5          HG23      ILE   5  -0.378  -5.233   4.071
   39   HD11  ILE   5          HD11      ILE   5   2.784  -5.968   5.659
   40   HD12  ILE   5          HD12      ILE   5   4.311  -5.627   4.846
   41   HD13  ILE   5          HD13      ILE   5   3.421  -4.323   5.633
   42    H    LEU   6           H        LEU   6   0.865  -1.073   2.945
   43    HA   LEU   6           HA       LEU   6  -1.834  -0.804   3.860
   44    HB2  LEU   6           HB2      LEU   6   0.199   1.268   3.050
   45    HB3  LEU   6           HB3      LEU   6  -1.350   1.620   3.813
   46    HG   LEU   6           HG       LEU   6  -0.437   0.058   5.705
   47   HD11  LEU   6          HD11      LEU   6   1.609  -0.725   5.325
   48   HD12  LEU   6          HD12      LEU   6   1.851   0.357   3.953
   49   HD13  LEU   6          HD13      LEU   6   2.188   0.920   5.590
   50   HD21  LEU   6          HD21      LEU   6   0.929   2.218   6.476
   51   HD22  LEU   6          HD22      LEU   6   0.039   2.922   5.126
   52   HD23  LEU   6          HD23      LEU   6  -0.834   2.161   6.457
   53    H    GLY   7           H        GLY   7  -0.130   0.460   0.984
   54    HA2  GLY   7           HA2      GLY   7  -2.319   1.524  -0.337
   55    HA3  GLY   7           HA3      GLY   7  -0.888   0.895  -1.139
   56    H    PHE   8           H        PHE   8  -1.258  -1.820  -0.172
   57    HA   PHE   8           HA       PHE   8  -2.690  -2.911  -2.277
   58    HB2  PHE   8           HB2      PHE   8  -1.033  -4.078  -0.745
   59    HB3  PHE   8           HB3      PHE   8  -2.355  -4.262   0.402
   60    HD1  PHE   8           HD1      PHE   8  -3.925  -5.988   0.175
   61    HD2  PHE   8           HD2      PHE   8  -1.239  -5.132  -3.015
   62    HE1  PHE   8           HE1      PHE   8  -4.631  -8.049  -0.968
   63    HE2  PHE   8           HE2      PHE   8  -1.942  -7.192  -4.164
   64    HZ   PHE   8           HZ       PHE   8  -3.640  -8.653  -3.140
   65    H    LEU   9           H        LEU   9  -3.772  -2.048   0.961
   66    HA   LEU   9           HA       LEU   9  -6.247  -3.278   1.026
   67    HB2  LEU   9           HB2      LEU   9  -5.497  -0.562   2.097
   68    HB3  LEU   9           HB3      LEU   9  -6.931  -1.476   2.558
   69    HG   LEU   9           HG       LEU   9  -4.165  -2.567   2.987
   70   HD11  LEU   9          HD11      LEU   9  -5.662  -0.544   4.589
   71   HD12  LEU   9          HD12      LEU   9  -4.663  -1.743   5.411
   72   HD13  LEU   9          HD13      LEU   9  -3.938  -0.648   4.233
   73   HD21  LEU   9          HD21      LEU   9  -5.378  -4.325   3.614
   74   HD22  LEU   9          HD22      LEU   9  -5.896  -3.365   5.000
   75   HD23  LEU   9          HD23      LEU   9  -6.882  -3.406   3.538
   76    H    LYS  10           H        LYS  10  -5.408  -0.095  -0.309
   77    HA   LYS  10           HA       LYS  10  -8.080   0.389  -1.250
   78    HB2  LYS  10           HB2      LYS  10  -5.471   1.818  -1.370
   79    HB3  LYS  10           HB3      LYS  10  -6.684   2.235  -2.572
   80    HG2  LYS  10           HG2      LYS  10  -6.829   3.737  -0.692
   81    HG3  LYS  10           HG3      LYS  10  -8.278   2.732  -0.771
   82    HD2  LYS  10           HD2      LYS  10  -7.463   1.325   1.001
   83    HD3  LYS  10           HD3      LYS  10  -5.906   2.154   1.002
   84    HE2  LYS  10           HE2      LYS  10  -8.369   3.766   1.435
   85    HE3  LYS  10           HE3      LYS  10  -7.797   2.742   2.753
   86    HZ1  LYS  10           HZ1      LYS  10  -5.911   3.971   3.014
   87    HZ2  LYS  10           HZ2      LYS  10  -5.866   4.484   1.403
   88    HZ3  LYS  10           HZ3      LYS  10  -6.958   5.190   2.485
   89    H    GLY  11           H        GLY  11  -5.056  -0.769  -2.630
   90    HA2  GLY  11           HA2      GLY  11  -4.602  -1.809  -4.624
   91    HA3  GLY  11           HA3      GLY  11  -6.318  -2.172  -4.712
   92    H    LEU  12           H        LEU  12  -4.098   0.582  -5.139
   93    HA   LEU  12           HA       LEU  12  -5.549   1.247  -7.604
   94    HB2  LEU  12           HB2      LEU  12  -5.717   3.509  -7.090
   95    HB3  LEU  12           HB3      LEU  12  -6.177   2.693  -5.597
   96    HG   LEU  12           HG       LEU  12  -3.451   3.872  -6.118
   97   HD11  LEU  12          HD11      LEU  12  -5.944   5.132  -5.383
   98   HD12  LEU  12          HD12      LEU  12  -4.724   5.325  -4.124
   99   HD13  LEU  12          HD13      LEU  12  -4.385   5.857  -5.771
  100   HD21  LEU  12          HD21      LEU  12  -3.526   3.731  -3.515
  101   HD22  LEU  12          HD22      LEU  12  -4.754   2.498  -3.807
  102   HD23  LEU  12          HD23      LEU  12  -3.129   2.298  -4.465
  103    HN1  NH2  13           HN1      NH2  13  -4.315   2.319  -9.202
  104    HN2  NH2  13           HN2      NH2  13  -2.607   2.318  -9.227
  Start of MODEL   12
    1    H1   ILE   1           H        ILE   1   6.733   5.615  -2.101
    2    HA   ILE   1           HA       ILE   1   5.539   5.038   0.532
    3    HB   ILE   1           HB       ILE   1   4.389   4.364  -2.178
    4   HG12  ILE   1          HG12      ILE   1   3.277   6.260  -0.109
    5   HG13  ILE   1          HG13      ILE   1   4.308   6.795  -1.431
    6   HG21  ILE   1          HG21      ILE   1   3.553   3.709   0.621
    7   HG22  ILE   1          HG22      ILE   1   2.364   3.818  -0.676
    8   HG23  ILE   1          HG23      ILE   1   3.679   2.648  -0.783
    9   HD11  ILE   1          HD11      ILE   1   2.583   5.639  -2.948
   10   HD12  ILE   1          HD12      ILE   1   1.534   5.692  -1.532
   11   HD13  ILE   1          HD13      ILE   1   2.169   7.190  -2.215
   12    H    PHE   2           H        PHE   2   6.842   3.516   1.375
   13    HA   PHE   2           HA       PHE   2   7.556   1.216  -0.318
   14    HB2  PHE   2           HB2      PHE   2   8.899   2.418   2.099
   15    HB3  PHE   2           HB3      PHE   2   9.290   0.801   1.521
   16    HD1  PHE   2           HD1      PHE   2   9.335   4.384   0.654
   17    HD2  PHE   2           HD2      PHE   2  10.665   0.474  -0.375
   18    HE1  PHE   2           HE1      PHE   2  10.923   5.352  -0.957
   19    HE2  PHE   2           HE2      PHE   2  12.256   1.435  -1.987
   20    HZ   PHE   2           HZ       PHE   2  12.387   3.877  -2.279
   21    H    GLY   3           H        GLY   3   5.926  -0.217  -0.052
   22    HA2  GLY   3           HA2      GLY   3   5.747  -1.973   1.986
   23    HA3  GLY   3           HA3      GLY   3   4.727  -0.656   2.547
   24    H    THR   4           H        THR   4   4.983  -3.372   0.470
   25    HA   THR   4           HA       THR   4   2.935  -2.903  -1.359
   26    HB   THR   4           HB       THR   4   3.331  -5.640  -0.204
   27    HG1  THR   4           HG1      THR   4   5.202  -5.772  -1.625
   28   HG21  THR   4          HG21      THR   4   2.975  -6.358  -2.459
   29   HG22  THR   4          HG22      THR   4   1.724  -5.176  -2.076
   30   HG23  THR   4          HG23      THR   4   3.107  -4.707  -3.065
   31    H    ILE   5           H        ILE   5   2.776  -4.447   1.842
   32    HA   ILE   5           HA       ILE   5   0.042  -5.021   1.840
   33    HB   ILE   5           HB       ILE   5   1.728  -4.301   4.239
   34   HG12  ILE   5          HG12      ILE   5   2.738  -6.100   2.882
   35   HG13  ILE   5          HG13      ILE   5   2.173  -6.693   4.440
   36   HG21  ILE   5          HG21      ILE   5  -0.003  -6.113   5.155
   37   HG22  ILE   5          HG22      ILE   5  -0.341  -4.382   5.162
   38   HG23  ILE   5          HG23      ILE   5  -0.994  -5.402   3.880
   39   HD11  ILE   5          HD11      ILE   5   0.052  -6.999   2.606
   40   HD12  ILE   5          HD12      ILE   5   1.517  -7.608   1.836
   41   HD13  ILE   5          HD13      ILE   5   1.011  -8.251   3.398
   42    H    LEU   6           H        LEU   6   1.699  -2.252   3.364
   43    HA   LEU   6           HA       LEU   6  -0.535  -0.867   4.217
   44    HB2  LEU   6           HB2      LEU   6   1.929  -0.373   4.633
   45    HB3  LEU   6           HB3      LEU   6   1.902   0.485   3.093
   46    HG   LEU   6           HG       LEU   6  -0.030   1.217   5.261
   47   HD11  LEU   6          HD11      LEU   6   1.500   2.700   6.268
   48   HD12  LEU   6          HD12      LEU   6   2.334   1.150   6.163
   49   HD13  LEU   6          HD13      LEU   6   2.707   2.433   5.011
   50   HD21  LEU   6          HD21      LEU   6  -0.571   2.835   3.844
   51   HD22  LEU   6          HD22      LEU   6   1.108   3.364   3.745
   52   HD23  LEU   6          HD23      LEU   6   0.512   2.112   2.655
   53    H    GLY   7           H        GLY   7   1.196  -0.471   1.123
   54    HA2  GLY   7           HA2      GLY   7  -0.487   1.468   0.020
   55    HA3  GLY   7           HA3      GLY   7   0.495   0.341  -0.905
   56    H    PHE   8           H        PHE   8  -0.775  -2.046   0.041
   57    HA   PHE   8           HA       PHE   8  -2.767  -2.374  -1.858
   58    HB2  PHE   8           HB2      PHE   8  -1.447  -4.125  -0.441
   59    HB3  PHE   8           HB3      PHE   8  -2.798  -3.977   0.678
   60    HD1  PHE   8           HD1      PHE   8  -5.091  -4.567  -0.081
   61    HD2  PHE   8           HD2      PHE   8  -1.640  -5.351  -2.447
   62    HE1  PHE   8           HE1      PHE   8  -6.382  -6.174  -1.426
   63    HE2  PHE   8           HE2      PHE   8  -2.926  -6.958  -3.796
   64    HZ   PHE   8           HZ       PHE   8  -5.300  -7.370  -3.286
   65    H    LEU   9           H        LEU   9  -3.013  -1.386   1.509
   66    HA   LEU   9           HA       LEU   9  -5.863  -1.500   1.619
   67    HB2  LEU   9           HB2      LEU   9  -3.685  -0.475   3.354
   68    HB3  LEU   9           HB3      LEU   9  -5.306   0.166   3.615
   69    HG   LEU   9           HG       LEU   9  -5.900  -2.428   3.663
   70   HD11  LEU   9          HD11      LEU   9  -4.232  -3.852   4.113
   71   HD12  LEU   9          HD12      LEU   9  -3.198  -2.615   3.396
   72   HD13  LEU   9          HD13      LEU   9  -3.392  -2.699   5.148
   73   HD21  LEU   9          HD21      LEU   9  -6.296  -0.709   5.418
   74   HD22  LEU   9          HD22      LEU   9  -5.874  -2.297   6.057
   75   HD23  LEU   9          HD23      LEU   9  -4.667  -1.011   6.021
   76    H    LYS  10           H        LYS  10  -3.501   1.087   1.098
   77    HA   LYS  10           HA       LYS  10  -5.360   3.207   0.980
   78    HB2  LYS  10           HB2      LYS  10  -2.771   3.259   1.192
   79    HB3  LYS  10           HB3      LYS  10  -2.783   3.200  -0.566
   80    HG2  LYS  10           HG2      LYS  10  -2.609   5.475   0.046
   81    HG3  LYS  10           HG3      LYS  10  -4.262   5.229  -0.522
   82    HD2  LYS  10           HD2      LYS  10  -5.134   5.285   1.662
   83    HD3  LYS  10           HD3      LYS  10  -3.541   5.066   2.391
   84    HE2  LYS  10           HE2      LYS  10  -2.955   7.259   2.099
   85    HE3  LYS  10           HE3      LYS  10  -3.988   7.459   0.685
   86    HZ1  LYS  10           HZ1      LYS  10  -5.205   8.609   2.187
   87    HZ2  LYS  10           HZ2      LYS  10  -5.837   7.073   2.515
   88    HZ3  LYS  10           HZ3      LYS  10  -4.639   7.727   3.515
   89    H    GLY  11           H        GLY  11  -4.080   1.012  -1.466
   90    HA2  GLY  11           HA2      GLY  11  -6.313   1.219  -3.142
   91    HA3  GLY  11           HA3      GLY  11  -5.096   2.340  -3.735
   92    H    LEU  12           H        LEU  12  -4.409   1.384  -5.563
   93    HA   LEU  12           HA       LEU  12  -3.488  -1.409  -5.373
   94    HB2  LEU  12           HB2      LEU  12  -3.650  -1.281  -7.930
   95    HB3  LEU  12           HB3      LEU  12  -5.140  -1.414  -6.998
   96    HG   LEU  12           HG       LEU  12  -4.203   1.299  -7.791
   97   HD11  LEU  12          HD11      LEU  12  -5.690   0.860  -9.894
   98   HD12  LEU  12          HD12      LEU  12  -3.977   0.439  -9.907
   99   HD13  LEU  12          HD13      LEU  12  -5.191  -0.814  -9.647
  100   HD21  LEU  12          HD21      LEU  12  -6.169   1.745  -6.852
  101   HD22  LEU  12          HD22      LEU  12  -6.931   0.950  -8.230
  102   HD23  LEU  12          HD23      LEU  12  -6.586   0.034  -6.764
  103    HN1  NH2  13           HN1      NH2  13  -2.705   1.821  -6.548
  104    HN2  NH2  13           HN2      NH2  13  -1.031   1.590  -6.797
  Start of MODEL   13
    1    H1   ILE   1           H        ILE   1  11.426   4.258   3.011
    2    HA   ILE   1           HA       ILE   1  10.709   1.998   1.489
    3    HB   ILE   1           HB       ILE   1  11.138   0.827   3.633
    4   HG12  ILE   1          HG12      ILE   1   8.959  -0.365   3.716
    5   HG13  ILE   1          HG13      ILE   1   8.247   0.915   2.739
    6   HG21  ILE   1          HG21      ILE   1   9.696   1.183   5.540
    7   HG22  ILE   1          HG22      ILE   1  10.502   2.693   5.117
    8   HG23  ILE   1          HG23      ILE   1   8.813   2.441   4.674
    9   HD11  ILE   1          HD11      ILE   1   9.595  -1.417   1.887
   10   HD12  ILE   1          HD12      ILE   1   8.872  -0.143   0.907
   11   HD13  ILE   1          HD13      ILE   1  10.560  -0.025   1.400
   12    H    PHE   2           H        PHE   2   8.735   2.284   0.592
   13    HA   PHE   2           HA       PHE   2   7.323   4.726   1.249
   14    HB2  PHE   2           HB2      PHE   2   7.824   3.850  -1.119
   15    HB3  PHE   2           HB3      PHE   2   6.494   2.729  -0.846
   16    HD1  PHE   2           HD1      PHE   2   7.127   6.372  -0.312
   17    HD2  PHE   2           HD2      PHE   2   4.512   3.358  -1.792
   18    HE1  PHE   2           HE1      PHE   2   5.529   8.107  -1.012
   19    HE2  PHE   2           HE2      PHE   2   2.910   5.088  -2.496
   20    HZ   PHE   2           HZ       PHE   2   3.418   7.466  -2.106
   21    H    GLY   3           H        GLY   3   6.545   1.257   1.043
   22    HA2  GLY   3           HA2      GLY   3   5.239   0.563   3.138
   23    HA3  GLY   3           HA3      GLY   3   4.103   1.792   2.604
   24    H    THR   4           H        THR   4   5.354  -1.398   2.052
   25    HA   THR   4           HA       THR   4   4.035  -1.949  -0.385
   26    HB   THR   4           HB       THR   4   4.728  -3.970   1.750
   27    HG1  THR   4           HG1      THR   4   6.769  -3.709   1.229
   28   HG21  THR   4          HG21      THR   4   4.592  -4.229  -1.256
   29   HG22  THR   4          HG22      THR   4   4.922  -5.520  -0.099
   30   HG23  THR   4          HG23      THR   4   3.331  -4.757  -0.141
   31    H    ILE   5           H        ILE   5   3.142  -2.645   2.989
   32    HA   ILE   5           HA       ILE   5   0.690  -3.896   2.421
   33    HB   ILE   5           HB       ILE   5   1.432  -2.343   4.904
   34   HG12  ILE   5          HG12      ILE   5   3.067  -4.099   4.406
   35   HG13  ILE   5          HG13      ILE   5   2.107  -4.524   5.818
   36   HG21  ILE   5          HG21      ILE   5  -0.903  -2.696   4.927
   37   HG22  ILE   5          HG22      ILE   5  -0.736  -4.342   4.317
   38   HG23  ILE   5          HG23      ILE   5  -0.215  -3.951   5.956
   39   HD11  ILE   5          HD11      ILE   5   0.698  -5.944   4.336
   40   HD12  ILE   5          HD12      ILE   5   1.841  -5.619   3.033
   41   HD13  ILE   5          HD13      ILE   5   2.376  -6.472   4.481
   42    H    LEU   6           H        LEU   6   1.499  -0.515   3.097
   43    HA   LEU   6           HA       LEU   6  -1.144   0.462   3.138
   44    HB2  LEU   6           HB2      LEU   6   1.559   1.654   2.805
   45    HB3  LEU   6           HB3      LEU   6   0.160   2.635   2.373
   46    HG   LEU   6           HG       LEU   6   0.515   1.361   5.080
   47   HD11  LEU   6          HD11      LEU   6   0.857   4.236   4.960
   48   HD12  LEU   6          HD12      LEU   6   1.850   3.009   5.748
   49   HD13  LEU   6          HD13      LEU   6   2.095   3.379   4.041
   50   HD21  LEU   6          HD21      LEU   6  -1.037   3.604   5.328
   51   HD22  LEU   6          HD22      LEU   6  -1.549   2.956   3.770
   52   HD23  LEU   6          HD23      LEU   6  -1.637   1.950   5.216
   53    H    GLY   7           H        GLY   7   1.306   0.665   0.544
   54    HA2  GLY   7           HA2      GLY   7  -0.313   1.759  -1.425
   55    HA3  GLY   7           HA3      GLY   7   1.076   0.730  -1.739
   56    H    PHE   8           H        PHE   8   0.233  -1.674  -0.693
   57    HA   PHE   8           HA       PHE   8  -1.290  -2.729  -2.788
   58    HB2  PHE   8           HB2      PHE   8   0.295  -3.929  -1.140
   59    HB3  PHE   8           HB3      PHE   8  -1.109  -4.038  -0.084
   60    HD1  PHE   8           HD1      PHE   8  -3.263  -5.032  -1.206
   61    HD2  PHE   8           HD2      PHE   8   0.704  -5.631  -2.627
   62    HE1  PHE   8           HE1      PHE   8  -3.998  -7.058  -2.393
   63    HE2  PHE   8           HE2      PHE   8  -0.025  -7.658  -3.816
   64    HZ   PHE   8           HZ       PHE   8  -2.378  -8.375  -3.700
   65    H    LEU   9           H        LEU   9  -2.218  -1.635   0.428
   66    HA   LEU   9           HA       LEU   9  -4.904  -2.576   0.278
   67    HB2  LEU   9           HB2      LEU   9  -3.783  -2.143   2.405
   68    HB3  LEU   9           HB3      LEU   9  -3.682  -0.429   2.006
   69    HG   LEU   9           HG       LEU   9  -6.212  -0.416   1.983
   70   HD11  LEU   9          HD11      LEU   9  -7.434  -2.183   2.870
   71   HD12  LEU   9          HD12      LEU   9  -6.258  -2.983   1.828
   72   HD13  LEU   9          HD13      LEU   9  -6.010  -2.946   3.573
   73   HD21  LEU   9          HD21      LEU   9  -5.935   0.502   3.981
   74   HD22  LEU   9          HD22      LEU   9  -5.800  -1.094   4.719
   75   HD23  LEU   9          HD23      LEU   9  -4.358  -0.277   4.113
   76    H    LYS  10           H        LYS  10  -3.338   0.536  -0.342
   77    HA   LYS  10           HA       LYS  10  -5.719   1.976  -0.870
   78    HB2  LYS  10           HB2      LYS  10  -3.294   2.819  -0.395
   79    HB3  LYS  10           HB3      LYS  10  -3.090   2.674  -2.135
   80    HG2  LYS  10           HG2      LYS  10  -4.726   4.302  -2.571
   81    HG3  LYS  10           HG3      LYS  10  -5.338   4.244  -0.916
   82    HD2  LYS  10           HD2      LYS  10  -2.950   5.012  -0.267
   83    HD3  LYS  10           HD3      LYS  10  -2.819   5.485  -1.963
   84    HE2  LYS  10           HE2      LYS  10  -4.433   7.119  -1.768
   85    HE3  LYS  10           HE3      LYS  10  -5.204   6.342  -0.387
   86    HZ1  LYS  10           HZ1      LYS  10  -2.482   7.239   0.050
   87    HZ2  LYS  10           HZ2      LYS  10  -3.612   8.473  -0.200
   88    HZ3  LYS  10           HZ3      LYS  10  -3.839   7.361   1.055
   89    H    GLY  11           H        GLY  11  -3.523   0.107  -2.898
   90    HA2  GLY  11           HA2      GLY  11  -4.908   0.848  -5.332
   91    HA3  GLY  11           HA3      GLY  11  -3.572  -0.285  -5.192
   92    H    LEU  12           H        LEU  12  -6.301  -0.372  -6.519
   93    HA   LEU  12           HA       LEU  12  -7.290  -2.827  -5.229
   94    HB2  LEU  12           HB2      LEU  12  -9.359  -2.313  -6.674
   95    HB3  LEU  12           HB3      LEU  12  -9.083  -1.373  -5.209
   96    HG   LEU  12           HG       LEU  12  -8.118   0.432  -6.642
   97   HD11  LEU  12          HD11      LEU  12  -8.704   0.353  -9.056
   98   HD12  LEU  12          HD12      LEU  12  -7.475  -0.820  -8.580
   99   HD13  LEU  12          HD13      LEU  12  -9.137  -1.344  -8.851
  100   HD21  LEU  12          HD21      LEU  12 -10.850  -0.020  -7.686
  101   HD22  LEU  12          HD22      LEU  12 -10.657   0.007  -5.934
  102   HD23  LEU  12          HD23      LEU  12 -10.154   1.396  -6.897
  103    HN1  NH2  13           HN1      NH2  13  -5.049  -2.966  -6.882
  104    HN2  NH2  13           HN2      NH2  13  -5.410  -3.812  -8.320
  Start of MODEL   14
    1    H1   ILE   1           H        ILE   1   7.225   0.464  -2.735
    2    HA   ILE   1           HA       ILE   1   8.521   2.266  -1.663
    3    HB   ILE   1           HB       ILE   1   5.640   3.111  -1.969
    4   HG12  ILE   1          HG12      ILE   1   6.770   3.722  -4.345
    5   HG13  ILE   1          HG13      ILE   1   7.666   2.258  -3.956
    6   HG21  ILE   1          HG21      ILE   1   7.641   4.946  -2.930
    7   HG22  ILE   1          HG22      ILE   1   6.368   5.198  -1.736
    8   HG23  ILE   1          HG23      ILE   1   7.926   4.535  -1.239
    9   HD11  ILE   1          HD11      ILE   1   4.865   2.609  -4.737
   10   HD12  ILE   1          HD12      ILE   1   5.956   1.245  -4.979
   11   HD13  ILE   1          HD13      ILE   1   5.142   1.458  -3.430
   12    H    PHE   2           H        PHE   2   8.758   1.207   0.522
   13    HA   PHE   2           HA       PHE   2   8.660   1.321   2.792
   14    HB2  PHE   2           HB2      PHE   2   8.825   3.863   1.959
   15    HB3  PHE   2           HB3      PHE   2   7.257   3.941   2.755
   16    HD1  PHE   2           HD1      PHE   2  10.302   4.985   3.334
   17    HD2  PHE   2           HD2      PHE   2   7.607   2.162   5.034
   18    HE1  PHE   2           HE1      PHE   2  11.425   5.228   5.509
   19    HE2  PHE   2           HE2      PHE   2   8.726   2.402   7.212
   20    HZ   PHE   2           HZ       PHE   2  10.638   3.936   7.453
   21    H    GLY   3           H        GLY   3   6.680  -0.195   1.805
   22    HA2  GLY   3           HA2      GLY   3   4.922  -0.838   3.597
   23    HA3  GLY   3           HA3      GLY   3   4.199   0.688   3.111
   24    H    THR   4           H        THR   4   5.401  -2.346   1.683
   25    HA   THR   4           HA       THR   4   4.063  -2.184  -0.746
   26    HB   THR   4           HB       THR   4   4.150  -4.724  -0.719
   27    HG1  THR   4           HG1      THR   4   5.682  -4.366   1.643
   28   HG21  THR   4          HG21      THR   4   5.942  -3.292  -1.654
   29   HG22  THR   4          HG22      THR   4   6.727  -3.284  -0.074
   30   HG23  THR   4          HG23      THR   4   6.560  -4.795  -0.969
   31    H    ILE   5           H        ILE   5   2.923  -3.285   2.393
   32    HA   ILE   5           HA       ILE   5   0.433  -4.303   1.399
   33    HB   ILE   5           HB       ILE   5   1.230  -3.590   4.224
   34   HG12  ILE   5          HG12      ILE   5   1.205  -6.261   4.212
   35   HG13  ILE   5          HG13      ILE   5   1.603  -6.001   2.517
   36   HG21  ILE   5          HG21      ILE   5  -0.639  -5.256   4.742
   37   HG22  ILE   5          HG22      ILE   5  -1.109  -3.641   4.213
   38   HG23  ILE   5          HG23      ILE   5  -1.163  -4.992   3.080
   39   HD11  ILE   5          HD11      ILE   5   3.205  -4.373   4.309
   40   HD12  ILE   5          HD12      ILE   5   3.380  -6.103   4.603
   41   HD13  ILE   5          HD13      ILE   5   3.699  -5.444   2.999
   42    H    LEU   6           H        LEU   6   1.468  -1.335   3.036
   43    HA   LEU   6           HA       LEU   6  -1.081  -0.176   3.299
   44    HB2  LEU   6           HB2      LEU   6   1.226   0.488   4.309
   45    HB3  LEU   6           HB3      LEU   6   1.377   1.468   2.851
   46    HG   LEU   6           HG       LEU   6  -1.052   1.763   4.563
   47   HD11  LEU   6          HD11      LEU   6   1.277   3.500   5.141
   48   HD12  LEU   6          HD12      LEU   6  -0.046   2.986   6.188
   49   HD13  LEU   6          HD13      LEU   6   1.280   1.878   5.834
   50   HD21  LEU   6          HD21      LEU   6  -0.149   4.221   3.705
   51   HD22  LEU   6          HD22      LEU   6   0.252   3.148   2.365
   52   HD23  LEU   6          HD23      LEU   6  -1.410   3.253   2.943
   53    H    GLY   7           H        GLY   7   1.255  -0.174   0.668
   54    HA2  GLY   7           HA2      GLY   7  -0.232   1.754  -0.888
   55    HA3  GLY   7           HA3      GLY   7   1.187   0.859  -1.410
   56    H    PHE   8           H        PHE   8   0.373  -1.743  -1.079
   57    HA   PHE   8           HA       PHE   8  -0.985  -2.287  -3.427
   58    HB2  PHE   8           HB2      PHE   8   0.335  -3.994  -2.360
   59    HB3  PHE   8           HB3      PHE   8  -0.697  -3.969  -0.934
   60    HD1  PHE   8           HD1      PHE   8  -2.868  -5.035  -0.949
   61    HD2  PHE   8           HD2      PHE   8  -0.363  -5.099  -4.390
   62    HE1  PHE   8           HE1      PHE   8  -4.256  -6.818  -1.922
   63    HE2  PHE   8           HE2      PHE   8  -1.747  -6.881  -5.369
   64    HZ   PHE   8           HZ       PHE   8  -3.696  -7.745  -4.135
   65    H    LEU   9           H        LEU   9  -2.258  -2.111  -0.123
   66    HA   LEU   9           HA       LEU   9  -4.929  -2.770  -0.853
   67    HB2  LEU   9           HB2      LEU   9  -3.691  -1.535   1.586
   68    HB3  LEU   9           HB3      LEU   9  -5.434  -1.747   1.435
   69    HG   LEU   9           HG       LEU   9  -3.467  -4.023   1.256
   70   HD11  LEU   9          HD11      LEU   9  -4.002  -2.513   3.524
   71   HD12  LEU   9          HD12      LEU   9  -5.051  -3.922   3.671
   72   HD13  LEU   9          HD13      LEU   9  -3.312  -4.135   3.470
   73   HD21  LEU   9          HD21      LEU   9  -5.315  -5.009   0.457
   74   HD22  LEU   9          HD22      LEU   9  -5.846  -5.007   2.139
   75   HD23  LEU   9          HD23      LEU   9  -6.375  -3.728   1.047
   76    H    LYS  10           H        LYS  10  -3.320   0.300  -0.055
   77    HA   LYS  10           HA       LYS  10  -5.473   2.014  -0.320
   78    HB2  LYS  10           HB2      LYS  10  -3.332   2.778   0.521
   79    HB3  LYS  10           HB3      LYS  10  -2.574   2.478  -1.037
   80    HG2  LYS  10           HG2      LYS  10  -3.714   4.275  -2.051
   81    HG3  LYS  10           HG3      LYS  10  -4.822   4.437  -0.686
   82    HD2  LYS  10           HD2      LYS  10  -3.069   5.250   0.726
   83    HD3  LYS  10           HD3      LYS  10  -1.846   4.884  -0.494
   84    HE2  LYS  10           HE2      LYS  10  -2.127   7.150  -0.791
   85    HE3  LYS  10           HE3      LYS  10  -3.255   6.501  -1.980
   86    HZ1  LYS  10           HZ1      LYS  10  -4.758   7.787  -0.994
   87    HZ2  LYS  10           HZ2      LYS  10  -4.740   6.686   0.291
   88    HZ3  LYS  10           HZ3      LYS  10  -3.778   8.075   0.355
   89    H    GLY  11           H        GLY  11  -3.457   0.567  -2.813
   90    HA2  GLY  11           HA2      GLY  11  -4.582   2.139  -4.944
   91    HA3  GLY  11           HA3      GLY  11  -3.531   0.741  -5.120
   92    H    LEU  12           H        LEU  12  -6.849   1.795  -4.658
   93    HA   LEU  12           HA       LEU  12  -7.752  -0.868  -5.540
   94    HB2  LEU  12           HB2      LEU  12  -9.970  -0.085  -4.497
   95    HB3  LEU  12           HB3      LEU  12  -8.671  -0.627  -3.434
   96    HG   LEU  12           HG       LEU  12  -8.091   1.800  -3.087
   97   HD11  LEU  12          HD11      LEU  12 -10.027   3.367  -3.533
   98   HD12  LEU  12          HD12      LEU  12  -9.088   2.866  -4.939
   99   HD13  LEU  12          HD13      LEU  12 -10.657   2.128  -4.618
  100   HD21  LEU  12          HD21      LEU  12  -9.544   1.986  -1.308
  101   HD22  LEU  12          HD22      LEU  12 -10.903   1.314  -2.209
  102   HD23  LEU  12          HD23      LEU  12  -9.613   0.256  -1.640
  103    HN1  NH2  13           HN1      NH2  13  -6.903   1.057  -7.389
  104    HN2  NH2  13           HN2      NH2  13  -8.221   1.604  -8.327
  Start of MODEL   15
    1    H1   ILE   1           H        ILE   1   9.300   4.976  -2.472
    2    HA   ILE   1           HA       ILE   1   7.291   5.939  -0.579
    3    HB   ILE   1           HB       ILE   1   6.572   4.546  -3.160
    4   HG12  ILE   1          HG12      ILE   1   5.711   7.289  -2.251
    5   HG13  ILE   1          HG13      ILE   1   7.155   7.037  -3.226
    6   HG21  ILE   1          HG21      ILE   1   4.227   5.353  -2.103
    7   HG22  ILE   1          HG22      ILE   1   4.910   3.745  -1.865
    8   HG23  ILE   1          HG23      ILE   1   5.128   4.987  -0.633
    9   HD11  ILE   1          HD11      ILE   1   5.749   7.368  -4.934
   10   HD12  ILE   1          HD12      ILE   1   5.324   5.676  -4.672
   11   HD13  ILE   1          HD13      ILE   1   4.325   6.954  -3.980
   12    H    PHE   2           H        PHE   2   7.368   4.581   1.074
   13    HA   PHE   2           HA       PHE   2   8.032   1.763   0.576
   14    HB2  PHE   2           HB2      PHE   2   9.469   3.067   2.162
   15    HB3  PHE   2           HB3      PHE   2   8.066   3.247   3.211
   16    HD1  PHE   2           HD1      PHE   2   9.664   0.428   1.351
   17    HD2  PHE   2           HD2      PHE   2   8.126   1.883   5.043
   18    HE1  PHE   2           HE1      PHE   2  10.191  -1.726   2.415
   19    HE2  PHE   2           HE2      PHE   2   8.652  -0.269   6.114
   20    HZ   PHE   2           HZ       PHE   2   9.684  -2.078   4.800
   21    H    GLY   3           H        GLY   3   6.850   0.101   1.656
   22    HA2  GLY   3           HA2      GLY   3   5.010  -0.701   2.928
   23    HA3  GLY   3           HA3      GLY   3   4.259   0.883   2.786
   24    H    THR   4           H        THR   4   5.293  -1.851   0.753
   25    HA   THR   4           HA       THR   4   3.789  -1.289  -1.499
   26    HB   THR   4           HB       THR   4   3.791  -3.777  -1.909
   27    HG1  THR   4           HG1      THR   4   3.925  -4.864  -0.080
   28   HG21  THR   4          HG21      THR   4   6.467  -2.653  -1.080
   29   HG22  THR   4          HG22      THR   4   6.163  -3.907  -2.282
   30   HG23  THR   4          HG23      THR   4   5.645  -2.249  -2.587
   31    H    ILE   5           H        ILE   5   2.858  -3.375   1.240
   32    HA   ILE   5           HA       ILE   5   0.244  -3.891   0.331
   33    HB   ILE   5           HB       ILE   5   1.280  -3.899   3.169
   34   HG12  ILE   5          HG12      ILE   5   0.898  -6.280   1.362
   35   HG13  ILE   5          HG13      ILE   5   2.414  -5.388   1.407
   36   HG21  ILE   5          HG21      ILE   5  -1.285  -4.787   1.929
   37   HG22  ILE   5          HG22      ILE   5  -0.641  -5.660   3.319
   38   HG23  ILE   5          HG23      ILE   5  -1.005  -3.940   3.450
   39   HD11  ILE   5          HD11      ILE   5   1.367  -7.360   3.241
   40   HD12  ILE   5          HD12      ILE   5   3.011  -6.754   3.046
   41   HD13  ILE   5          HD13      ILE   5   1.865  -5.882   4.064
   42    H    LEU   6           H        LEU   6   1.547  -1.406   2.488
   43    HA   LEU   6           HA       LEU   6  -0.842  -0.282   3.362
   44    HB2  LEU   6           HB2      LEU   6   1.957   0.510   3.216
   45    HB3  LEU   6           HB3      LEU   6   0.851   1.875   3.088
   46    HG   LEU   6           HG       LEU   6   1.576   1.545   5.386
   47   HD11  LEU   6          HD11      LEU   6  -0.465   1.929   6.325
   48   HD12  LEU   6          HD12      LEU   6  -0.884   2.131   4.624
   49   HD13  LEU   6          HD13      LEU   6  -1.244   0.613   5.447
   50   HD21  LEU   6          HD21      LEU   6   1.161  -0.430   6.621
   51   HD22  LEU   6          HD22      LEU   6   0.182  -1.121   5.327
   52   HD23  LEU   6          HD23      LEU   6   1.923  -0.940   5.114
   53    H    GLY   7           H        GLY   7   1.046   0.404   0.440
   54    HA2  GLY   7           HA2      GLY   7  -0.672   2.498  -0.464
   55    HA3  GLY   7           HA3      GLY   7   0.554   1.676  -1.417
   56    H    PHE   8           H        PHE   8  -0.316  -0.916  -1.394
   57    HA   PHE   8           HA       PHE   8  -2.192  -0.976  -3.436
   58    HB2  PHE   8           HB2      PHE   8  -0.802  -2.915  -1.783
   59    HB3  PHE   8           HB3      PHE   8  -2.439  -3.447  -2.158
   60    HD1  PHE   8           HD1      PHE   8  -3.151  -3.459  -4.602
   61    HD2  PHE   8           HD2      PHE   8   0.904  -3.124  -3.350
   62    HE1  PHE   8           HE1      PHE   8  -2.406  -4.186  -6.831
   63    HE2  PHE   8           HE2      PHE   8   1.656  -3.849  -5.577
   64    HZ   PHE   8           HZ       PHE   8   0.000  -4.381  -7.322
   65    H    LEU   9           H        LEU   9  -2.694  -1.773   0.002
   66    HA   LEU   9           HA       LEU   9  -5.428  -2.265  -0.120
   67    HB2  LEU   9           HB2      LEU   9  -4.189  -2.841   1.834
   68    HB3  LEU   9           HB3      LEU   9  -3.720  -1.164   2.100
   69    HG   LEU   9           HG       LEU   9  -6.143  -0.661   2.538
   70   HD11  LEU   9          HD11      LEU   9  -7.267  -2.456   1.500
   71   HD12  LEU   9          HD12      LEU   9  -6.305  -3.656   2.363
   72   HD13  LEU   9          HD13      LEU   9  -7.489  -2.684   3.235
   73   HD21  LEU   9          HD21      LEU   9  -4.427  -2.396   4.245
   74   HD22  LEU   9          HD22      LEU   9  -4.926  -0.721   4.479
   75   HD23  LEU   9          HD23      LEU   9  -6.068  -2.032   4.777
   76    H    LYS  10           H        LYS  10  -3.746   0.783   0.613
   77    HA   LYS  10           HA       LYS  10  -6.019   2.368   0.985
   78    HB2  LYS  10           HB2      LYS  10  -3.160   2.862   0.371
   79    HB3  LYS  10           HB3      LYS  10  -4.274   4.176   0.017
   80    HG2  LYS  10           HG2      LYS  10  -5.113   3.933   2.387
   81    HG3  LYS  10           HG3      LYS  10  -3.730   2.872   2.667
   82    HD2  LYS  10           HD2      LYS  10  -3.464   5.665   1.573
   83    HD3  LYS  10           HD3      LYS  10  -3.410   5.299   3.300
   84    HE2  LYS  10           HE2      LYS  10  -1.569   3.632   2.707
   85    HE3  LYS  10           HE3      LYS  10  -1.506   4.438   1.140
   86    HZ1  LYS  10           HZ1      LYS  10  -1.245   5.920   3.689
   87    HZ2  LYS  10           HZ2      LYS  10   0.091   5.255   2.890
   88    HZ3  LYS  10           HZ3      LYS  10  -0.844   6.442   2.130
   89    H    GLY  11           H        GLY  11  -4.269   1.481  -1.945
   90    HA2  GLY  11           HA2      GLY  11  -5.665   3.258  -3.675
   91    HA3  GLY  11           HA3      GLY  11  -4.722   1.859  -4.169
   92    H    LEU  12           H        LEU  12  -5.968  -0.266  -3.210
   93    HA   LEU  12           HA       LEU  12  -8.549  -0.181  -4.581
   94    HB2  LEU  12           HB2      LEU  12  -6.721  -2.422  -3.768
   95    HB3  LEU  12           HB3      LEU  12  -8.360  -2.708  -4.348
   96    HG   LEU  12           HG       LEU  12  -6.611  -1.067  -6.080
   97   HD11  LEU  12          HD11      LEU  12  -5.005  -2.715  -5.441
   98   HD12  LEU  12          HD12      LEU  12  -6.182  -4.013  -5.633
   99   HD13  LEU  12          HD13      LEU  12  -5.603  -3.131  -7.046
  100   HD21  LEU  12          HD21      LEU  12  -8.466  -1.444  -7.274
  101   HD22  LEU  12          HD22      LEU  12  -7.777  -3.040  -7.567
  102   HD23  LEU  12          HD23      LEU  12  -8.949  -2.811  -6.270
  103    HN1  NH2  13           HN1      NH2  13  -8.615   1.063  -2.137
  104    HN2  NH2  13           HN2      NH2  13  -9.521   0.169  -0.999
  Start of MODEL   16
    1    H1   ILE   1           H        ILE   1   6.532   6.761  -0.425
    2    HA   ILE   1           HA       ILE   1   4.811   5.101  -0.344
    3    HB   ILE   1           HB       ILE   1   5.421   5.451  -3.277
    4   HG12  ILE   1          HG12      ILE   1   3.931   7.317  -1.418
    5   HG13  ILE   1          HG13      ILE   1   5.518   7.622  -2.116
    6   HG21  ILE   1          HG21      ILE   1   3.308   4.774  -3.702
    7   HG22  ILE   1          HG22      ILE   1   3.498   3.947  -2.156
    8   HG23  ILE   1          HG23      ILE   1   2.664   5.499  -2.228
    9   HD11  ILE   1          HD11      ILE   1   4.031   8.843  -3.431
   10   HD12  ILE   1          HD12      ILE   1   4.373   7.394  -4.378
   11   HD13  ILE   1          HD13      ILE   1   2.858   7.527  -3.486
   12    H    PHE   2           H        PHE   2   6.342   3.363   0.497
   13    HA   PHE   2           HA       PHE   2   6.628   1.245  -1.532
   14    HB2  PHE   2           HB2      PHE   2   8.389   0.303   0.024
   15    HB3  PHE   2           HB3      PHE   2   8.815   1.814  -0.774
   16    HD1  PHE   2           HD1      PHE   2   7.523   0.415   2.408
   17    HD2  PHE   2           HD2      PHE   2   9.450   3.678   0.471
   18    HE1  PHE   2           HE1      PHE   2   7.997   1.431   4.598
   19    HE2  PHE   2           HE2      PHE   2   9.929   4.698   2.657
   20    HZ   PHE   2           HZ       PHE   2   9.203   3.574   4.726
   21    H    GLY   3           H        GLY   3   6.821  -0.992  -0.241
   22    HA2  GLY   3           HA2      GLY   3   5.853  -2.505   1.237
   23    HA3  GLY   3           HA3      GLY   3   4.999  -1.171   2.000
   24    H    THR   4           H        THR   4   4.826  -3.730  -0.267
   25    HA   THR   4           HA       THR   4   2.647  -2.967  -1.836
   26    HB   THR   4           HB       THR   4   2.992  -5.808  -0.929
   27    HG1  THR   4           HG1      THR   4   4.578  -4.564  -2.938
   28   HG21  THR   4          HG21      THR   4   1.868  -4.371  -3.265
   29   HG22  THR   4          HG22      THR   4   2.687  -5.900  -3.589
   30   HG23  THR   4          HG23      THR   4   1.322  -5.850  -2.473
   31    H    ILE   5           H        ILE   5   2.721  -4.679   1.276
   32    HA   ILE   5           HA       ILE   5   0.003  -5.180   1.554
   33    HB   ILE   5           HB       ILE   5   1.968  -4.501   3.745
   34   HG12  ILE   5          HG12      ILE   5   1.104  -7.228   2.777
   35   HG13  ILE   5          HG13      ILE   5   2.558  -6.421   2.200
   36   HG21  ILE   5          HG21      ILE   5   0.205  -6.209   4.863
   37   HG22  ILE   5          HG22      ILE   5   0.073  -4.453   4.964
   38   HG23  ILE   5          HG23      ILE   5  -0.854  -5.339   3.752
   39   HD11  ILE   5          HD11      ILE   5   3.328  -6.319   4.578
   40   HD12  ILE   5          HD12      ILE   5   1.959  -7.351   4.992
   41   HD13  ILE   5          HD13      ILE   5   3.207  -7.940   3.894
   42    H    LEU   6           H        LEU   6   1.861  -2.306   2.485
   43    HA   LEU   6           HA       LEU   6  -0.308  -0.920   3.659
   44    HB2  LEU   6           HB2      LEU   6   2.422  -0.225   2.728
   45    HB3  LEU   6           HB3      LEU   6   1.279   1.097   2.960
   46    HG   LEU   6           HG       LEU   6   1.747  -0.885   5.154
   47   HD11  LEU   6          HD11      LEU   6   3.811   0.619   4.018
   48   HD12  LEU   6          HD12      LEU   6   3.333   1.490   5.475
   49   HD13  LEU   6          HD13      LEU   6   3.815  -0.204   5.577
   50   HD21  LEU   6          HD21      LEU   6   0.175   0.454   6.013
   51   HD22  LEU   6          HD22      LEU   6   1.475   1.629   6.208
   52   HD23  LEU   6          HD23      LEU   6   0.431   1.697   4.788
   53    H    GLY   7           H        GLY   7   1.225  -0.610   0.454
   54    HA2  GLY   7           HA2      GLY   7  -0.466   1.358  -0.573
   55    HA3  GLY   7           HA3      GLY   7   0.406   0.178  -1.539
   56    H    PHE   8           H        PHE   8  -0.905  -2.125  -0.378
   57    HA   PHE   8           HA       PHE   8  -3.076  -2.359  -2.138
   58    HB2  PHE   8           HB2      PHE   8  -1.658  -4.204  -1.007
   59    HB3  PHE   8           HB3      PHE   8  -2.792  -4.053   0.331
   60    HD1  PHE   8           HD1      PHE   8  -4.417  -5.658   0.368
   61    HD2  PHE   8           HD2      PHE   8  -3.018  -4.238  -3.394
   62    HE1  PHE   8           HE1      PHE   8  -5.973  -7.178  -0.781
   63    HE2  PHE   8           HE2      PHE   8  -4.575  -5.755  -4.548
   64    HZ   PHE   8           HZ       PHE   8  -6.054  -7.228  -3.241
   65    H    LEU   9           H        LEU   9  -2.987  -1.806   1.367
   66    HA   LEU   9           HA       LEU   9  -5.719  -1.851   1.874
   67    HB2  LEU   9           HB2      LEU   9  -3.986  -1.790   3.609
   68    HB3  LEU   9           HB3      LEU   9  -3.620  -0.121   3.177
   69    HG   LEU   9           HG       LEU   9  -5.911   0.514   3.887
   70   HD11  LEU   9          HD11      LEU   9  -7.121  -1.507   3.615
   71   HD12  LEU   9          HD12      LEU   9  -6.031  -2.383   4.690
   72   HD13  LEU   9          HD13      LEU   9  -7.108  -1.148   5.341
   73   HD21  LEU   9          HD21      LEU   9  -3.704   0.210   5.392
   74   HD22  LEU   9          HD22      LEU   9  -5.227   0.846   6.013
   75   HD23  LEU   9          HD23      LEU   9  -4.813  -0.851   6.260
   76    H    LYS  10           H        LYS  10  -3.659   0.907   0.987
   77    HA   LYS  10           HA       LYS  10  -5.772   2.802   0.962
   78    HB2  LYS  10           HB2      LYS  10  -3.044   2.840  -0.336
   79    HB3  LYS  10           HB3      LYS  10  -4.139   4.215  -0.311
   80    HG2  LYS  10           HG2      LYS  10  -3.343   2.898   2.246
   81    HG3  LYS  10           HG3      LYS  10  -2.250   4.034   1.453
   82    HD2  LYS  10           HD2      LYS  10  -4.007   5.741   1.486
   83    HD3  LYS  10           HD3      LYS  10  -5.097   4.603   2.281
   84    HE2  LYS  10           HE2      LYS  10  -3.585   4.481   4.192
   85    HE3  LYS  10           HE3      LYS  10  -2.472   5.590   3.393
   86    HZ1  LYS  10           HZ1      LYS  10  -5.231   6.199   4.302
   87    HZ2  LYS  10           HZ2      LYS  10  -3.791   6.797   4.960
   88    HZ3  LYS  10           HZ3      LYS  10  -4.268   7.260   3.404
   89    H    GLY  11           H        GLY  11  -4.336   0.719  -1.487
   90    HA2  GLY  11           HA2      GLY  11  -5.502  -0.089  -3.372
   91    HA3  GLY  11           HA3      GLY  11  -6.647   1.233  -3.201
   92    H    LEU  12           H        LEU  12  -4.802   0.136  -5.420
   93    HA   LEU  12           HA       LEU  12  -2.941   2.165  -6.044
   94    HB2  LEU  12           HB2      LEU  12  -4.258  -0.032  -7.575
   95    HB3  LEU  12           HB3      LEU  12  -3.329   1.191  -8.440
   96    HG   LEU  12           HG       LEU  12  -2.066  -0.263  -6.156
   97   HD11  LEU  12          HD11      LEU  12  -1.328  -2.030  -7.646
   98   HD12  LEU  12          HD12      LEU  12  -3.088  -2.010  -7.543
   99   HD13  LEU  12          HD13      LEU  12  -2.281  -1.345  -8.963
  100   HD21  LEU  12          HD21      LEU  12  -0.483   1.164  -6.857
  101   HD22  LEU  12          HD22      LEU  12  -0.245  -0.001  -8.160
  102   HD23  LEU  12          HD23      LEU  12  -1.260   1.417  -8.420
  103    HN1  NH2  13           HN1      NH2  13  -5.977   1.444  -7.774
  104    HN2  NH2  13           HN2      NH2  13  -6.392   3.049  -8.179
  Start of MODEL   17
    1    H1   ILE   1           H        ILE   1   9.527   3.990   5.410
    2    HA   ILE   1           HA       ILE   1   7.576   5.373   4.356
    3    HB   ILE   1           HB       ILE   1   9.892   6.130   4.193
    4   HG12  ILE   1          HG12      ILE   1   8.717   6.215   1.419
    5   HG13  ILE   1          HG13      ILE   1   7.987   7.087   2.763
    6   HG21  ILE   1          HG21      ILE   1  10.432   3.761   3.020
    7   HG22  ILE   1          HG22      ILE   1  10.390   4.816   1.608
    8   HG23  ILE   1          HG23      ILE   1  11.494   5.166   2.938
    9   HD11  ILE   1          HD11      ILE   1   9.651   8.624   2.847
   10   HD12  ILE   1          HD12      ILE   1  10.878   7.495   2.275
   11   HD13  ILE   1          HD13      ILE   1   9.738   8.208   1.135
   12    H    PHE   2           H        PHE   2   8.927   2.547   2.764
   13    HA   PHE   2           HA       PHE   2   6.984   2.826   0.585
   14    HB2  PHE   2           HB2      PHE   2   9.379   2.447   0.003
   15    HB3  PHE   2           HB3      PHE   2   9.294   0.889   0.817
   16    HD1  PHE   2           HD1      PHE   2   7.279   2.761  -1.713
   17    HD2  PHE   2           HD2      PHE   2   9.098  -0.915  -0.571
   18    HE1  PHE   2           HE1      PHE   2   6.481   1.722  -3.795
   19    HE2  PHE   2           HE2      PHE   2   8.303  -1.958  -2.653
   20    HZ   PHE   2           HZ       PHE   2   6.992  -0.640  -4.268
   21    H    GLY   3           H        GLY   3   5.360   2.267   2.343
   22    HA2  GLY   3           HA2      GLY   3   5.294  -0.510   3.160
   23    HA3  GLY   3           HA3      GLY   3   4.099   0.720   3.540
   24    H    THR   4           H        THR   4   5.157  -1.629   1.175
   25    HA   THR   4           HA       THR   4   3.307  -1.158  -0.853
   26    HB   THR   4           HB       THR   4   3.533  -3.693  -1.272
   27    HG1  THR   4           HG1      THR   4   5.689  -3.472   0.550
   28   HG21  THR   4          HG21      THR   4   5.837  -1.760  -1.255
   29   HG22  THR   4          HG22      THR   4   5.986  -3.382  -1.929
   30   HG23  THR   4          HG23      THR   4   4.820  -2.249  -2.612
   31    H    ILE   5           H        ILE   5   3.018  -3.163   2.057
   32    HA   ILE   5           HA       ILE   5   0.529  -4.302   1.534
   33    HB   ILE   5           HB       ILE   5   1.635  -3.500   4.228
   34   HG12  ILE   5          HG12      ILE   5   1.808  -6.191   2.870
   35   HG13  ILE   5          HG13      ILE   5   3.089  -4.987   2.775
   36   HG21  ILE   5          HG21      ILE   5   0.199  -5.534   4.909
   37   HG22  ILE   5          HG22      ILE   5  -0.602  -3.990   4.614
   38   HG23  ILE   5          HG23      ILE   5  -0.640  -5.252   3.384
   39   HD11  ILE   5          HD11      ILE   5   2.135  -6.536   5.147
   40   HD12  ILE   5          HD12      ILE   5   3.765  -6.396   4.487
   41   HD13  ILE   5          HD13      ILE   5   3.038  -5.032   5.338
   42    H    LEU   6           H        LEU   6   1.358  -1.184   2.966
   43    HA   LEU   6           HA       LEU   6  -1.325  -0.490   3.643
   44    HB2  LEU   6           HB2      LEU   6   1.294   0.914   3.550
   45    HB3  LEU   6           HB3      LEU   6  -0.172   1.892   3.584
   46    HG   LEU   6           HG       LEU   6   0.325  -0.231   5.645
   47   HD11  LEU   6          HD11      LEU   6   1.318   2.614   5.669
   48   HD12  LEU   6          HD12      LEU   6   1.242   1.566   7.086
   49   HD13  LEU   6          HD13      LEU   6   2.290   1.144   5.733
   50   HD21  LEU   6          HD21      LEU   6  -1.609   0.491   6.457
   51   HD22  LEU   6          HD22      LEU   6  -0.980   2.135   6.559
   52   HD23  LEU   6          HD23      LEU   6  -1.765   1.581   5.080
   53    H    GLY   7           H        GLY   7   0.873   0.602   1.052
   54    HA2  GLY   7           HA2      GLY   7  -0.911   2.266  -0.287
   55    HA3  GLY   7           HA3      GLY   7   0.435   1.426  -1.044
   56    H    PHE   8           H        PHE   8  -0.465  -1.227  -0.571
   57    HA   PHE   8           HA       PHE   8  -1.997  -1.688  -2.842
   58    HB2  PHE   8           HB2      PHE   8  -0.577  -3.368  -1.619
   59    HB3  PHE   8           HB3      PHE   8  -1.870  -3.507  -0.433
   60    HD1  PHE   8           HD1      PHE   8  -4.043  -4.468  -1.082
   61    HD2  PHE   8           HD2      PHE   8  -0.727  -4.409  -3.749
   62    HE1  PHE   8           HE1      PHE   8  -5.143  -6.168  -2.480
   63    HE2  PHE   8           HE2      PHE   8  -1.821  -6.108  -5.152
   64    HZ   PHE   8           HZ       PHE   8  -4.031  -6.991  -4.518
   65    H    LEU   9           H        LEU   9  -2.987  -1.281   0.515
   66    HA   LEU   9           HA       LEU   9  -5.719  -1.962   0.086
   67    HB2  LEU   9           HB2      LEU   9  -4.468  -0.322   2.285
   68    HB3  LEU   9           HB3      LEU   9  -6.092  -1.006   2.304
   69    HG   LEU   9           HG       LEU   9  -3.600  -2.691   2.153
   70   HD11  LEU   9          HD11      LEU   9  -3.494  -1.424   4.204
   71   HD12  LEU   9          HD12      LEU   9  -5.167  -1.834   4.581
   72   HD13  LEU   9          HD13      LEU   9  -3.933  -3.094   4.561
   73   HD21  LEU   9          HD21      LEU   9  -5.016  -4.381   1.921
   74   HD22  LEU   9          HD22      LEU   9  -5.840  -3.920   3.410
   75   HD23  LEU   9          HD23      LEU   9  -6.361  -3.241   1.867
   76    H    LYS  10           H        LYS  10  -4.025   1.144   0.471
   77    HA   LYS  10           HA       LYS  10  -6.247   2.809   0.146
   78    HB2  LYS  10           HB2      LYS  10  -3.783   3.341   0.842
   79    HB3  LYS  10           HB3      LYS  10  -3.541   3.596  -0.882
   80    HG2  LYS  10           HG2      LYS  10  -5.813   4.968   0.466
   81    HG3  LYS  10           HG3      LYS  10  -4.175   5.581   0.705
   82    HD2  LYS  10           HD2      LYS  10  -3.937   6.191  -1.496
   83    HD3  LYS  10           HD3      LYS  10  -5.087   4.981  -2.068
   84    HE2  LYS  10           HE2      LYS  10  -5.898   7.376  -0.435
   85    HE3  LYS  10           HE3      LYS  10  -5.840   7.394  -2.198
   86    HZ1  LYS  10           HZ1      LYS  10  -7.411   5.393  -0.680
   87    HZ2  LYS  10           HZ2      LYS  10  -8.059   6.880  -1.162
   88    HZ3  LYS  10           HZ3      LYS  10  -7.520   5.775  -2.325
   89    H    GLY  11           H        GLY  11  -4.096   1.333  -2.231
   90    HA2  GLY  11           HA2      GLY  11  -6.072   1.959  -4.303
   91    HA3  GLY  11           HA3      GLY  11  -4.415   2.481  -4.562
   92    H    LEU  12           H        LEU  12  -6.514   0.207  -5.451
   93    HA   LEU  12           HA       LEU  12  -4.772  -2.105  -5.276
   94    HB2  LEU  12           HB2      LEU  12  -6.561  -3.310  -6.357
   95    HB3  LEU  12           HB3      LEU  12  -7.197  -2.351  -5.022
   96    HG   LEU  12           HG       LEU  12  -7.681  -0.634  -6.992
   97   HD11  LEU  12          HD11      LEU  12  -7.811  -1.460  -9.074
   98   HD12  LEU  12          HD12      LEU  12  -6.663  -2.658  -8.475
   99   HD13  LEU  12          HD13      LEU  12  -8.386  -3.034  -8.525
  100   HD21  LEU  12          HD21      LEU  12  -9.570  -2.928  -6.807
  101   HD22  LEU  12          HD22      LEU  12  -9.203  -2.009  -5.346
  102   HD23  LEU  12          HD23      LEU  12  -9.888  -1.194  -6.752
  103    HN1  NH2  13           HN1      NH2  13  -5.871   0.209  -7.687
  104    HN2  NH2  13           HN2      NH2  13  -4.843  -0.262  -8.967
  Start of MODEL   18
    1    H1   ILE   1           H        ILE   1  10.286   5.026  -0.060
    2    HA   ILE   1           HA       ILE   1  10.744   3.559   2.160
    3    HB   ILE   1           HB       ILE   1  10.052   5.479   3.534
    4   HG12  ILE   1          HG12      ILE   1   9.367   7.483   1.806
    5   HG13  ILE   1          HG13      ILE   1   8.527   6.109   1.095
    6   HG21  ILE   1          HG21      ILE   1  12.152   5.353   1.936
    7   HG22  ILE   1          HG22      ILE   1  11.351   6.726   1.170
    8   HG23  ILE   1          HG23      ILE   1  11.793   6.802   2.876
    9   HD11  ILE   1          HD11      ILE   1   8.134   6.153   3.936
   10   HD12  ILE   1          HD12      ILE   1   7.690   7.703   3.222
   11   HD13  ILE   1          HD13      ILE   1   6.946   6.216   2.634
   12    H    PHE   2           H        PHE   2   7.589   4.414   0.872
   13    HA   PHE   2           HA       PHE   2   6.016   3.641   3.062
   14    HB2  PHE   2           HB2      PHE   2   4.159   3.582   1.515
   15    HB3  PHE   2           HB3      PHE   2   5.197   4.942   1.100
   16    HD1  PHE   2           HD1      PHE   2   4.072   1.601   0.093
   17    HD2  PHE   2           HD2      PHE   2   6.400   5.003  -0.968
   18    HE1  PHE   2           HE1      PHE   2   4.233   0.767  -2.216
   19    HE2  PHE   2           HE2      PHE   2   6.563   4.175  -3.279
   20    HZ   PHE   2           HZ       PHE   2   5.480   2.054  -3.906
   21    H    GLY   3           H        GLY   3   4.528   1.739   3.099
   22    HA2  GLY   3           HA2      GLY   3   6.056  -0.676   2.395
   23    HA3  GLY   3           HA3      GLY   3   4.863  -0.567   3.681
   24    H    THR   4           H        THR   4   5.334  -2.068   0.926
   25    HA   THR   4           HA       THR   4   3.203  -1.561  -0.767
   26    HB   THR   4           HB       THR   4   4.932  -3.098  -1.437
   27    HG1  THR   4           HG1      THR   4   3.089  -3.609  -2.506
   28   HG21  THR   4          HG21      THR   4   5.348  -4.039   0.835
   29   HG22  THR   4          HG22      THR   4   3.892  -5.015   0.650
   30   HG23  THR   4          HG23      THR   4   5.261  -5.260  -0.434
   31    H    ILE   5           H        ILE   5   3.292  -3.408   2.225
   32    HA   ILE   5           HA       ILE   5   0.828  -4.698   2.057
   33    HB   ILE   5           HB       ILE   5   2.141  -3.603   4.548
   34   HG12  ILE   5          HG12      ILE   5   3.641  -5.070   3.279
   35   HG13  ILE   5          HG13      ILE   5   3.118  -5.848   4.768
   36   HG21  ILE   5          HG21      ILE   5  -0.240  -5.267   4.065
   37   HG22  ILE   5          HG22      ILE   5   0.852  -5.842   5.324
   38   HG23  ILE   5          HG23      ILE   5   0.162  -4.223   5.429
   39   HD11  ILE   5          HD11      ILE   5   2.053  -6.383   2.007
   40   HD12  ILE   5          HD12      ILE   5   3.115  -7.428   2.950
   41   HD13  ILE   5          HD13      ILE   5   1.463  -7.131   3.490
   42    H    LEU   6           H        LEU   6   1.626  -1.429   3.128
   43    HA   LEU   6           HA       LEU   6  -1.092  -0.834   3.884
   44    HB2  LEU   6           HB2      LEU   6   1.297   0.972   3.545
   45    HB3  LEU   6           HB3      LEU   6  -0.248   1.445   4.246
   46    HG   LEU   6           HG       LEU   6   0.271  -0.483   5.941
   47   HD11  LEU   6          HD11      LEU   6   2.702  -0.324   4.398
   48   HD12  LEU   6          HD12      LEU   6   3.002   0.026   6.101
   49   HD13  LEU   6          HD13      LEU   6   2.226  -1.488   5.635
   50   HD21  LEU   6          HD21      LEU   6   0.896   1.127   7.447
   51   HD22  LEU   6          HD22      LEU   6   1.984   1.925   6.311
   52   HD23  LEU   6          HD23      LEU   6   0.240   2.136   6.157
   53    H    GLY   7           H        GLY   7   1.119   0.296   1.322
   54    HA2  GLY   7           HA2      GLY   7  -0.626   1.954  -0.045
   55    HA3  GLY   7           HA3      GLY   7   0.688   1.063  -0.800
   56    H    PHE   8           H        PHE   8  -0.312  -1.555  -0.249
   57    HA   PHE   8           HA       PHE   8  -1.818  -2.051  -2.514
   58    HB2  PHE   8           HB2      PHE   8  -0.618  -3.826  -1.381
   59    HB3  PHE   8           HB3      PHE   8  -1.642  -3.659   0.041
   60    HD1  PHE   8           HD1      PHE   8  -3.104  -5.395   0.311
   61    HD2  PHE   8           HD2      PHE   8  -2.216  -4.052  -3.629
   62    HE1  PHE   8           HE1      PHE   8  -4.649  -7.075  -0.606
   63    HE2  PHE   8           HE2      PHE   8  -3.761  -5.729  -4.553
   64    HZ   PHE   8           HZ       PHE   8  -4.979  -7.244  -3.042
   65    H    LEU   9           H        LEU   9  -2.946  -1.697   0.837
   66    HA   LEU   9           HA       LEU   9  -5.675  -2.123   0.299
   67    HB2  LEU   9           HB2      LEU   9  -4.095  -0.956   2.520
   68    HB3  LEU   9           HB3      LEU   9  -5.817  -0.578   2.464
   69    HG   LEU   9           HG       LEU   9  -5.400  -2.452   3.944
   70   HD11  LEU   9          HD11      LEU   9  -7.365  -3.256   3.314
   71   HD12  LEU   9          HD12      LEU   9  -7.187  -2.443   1.758
   72   HD13  LEU   9          HD13      LEU   9  -6.612  -4.098   1.959
   73   HD21  LEU   9          HD21      LEU   9  -4.580  -4.601   2.986
   74   HD22  LEU   9          HD22      LEU   9  -4.147  -3.727   1.516
   75   HD23  LEU   9          HD23      LEU   9  -3.361  -3.328   3.043
   76    H    LYS  10           H        LYS  10  -3.811   0.886   0.641
   77    HA   LYS  10           HA       LYS  10  -5.905   2.680   0.211
   78    HB2  LYS  10           HB2      LYS  10  -3.482   3.133   0.957
   79    HB3  LYS  10           HB3      LYS  10  -3.098   3.173  -0.759
   80    HG2  LYS  10           HG2      LYS  10  -5.330   4.866   0.241
   81    HG3  LYS  10           HG3      LYS  10  -3.668   5.366   0.565
   82    HD2  LYS  10           HD2      LYS  10  -3.400   4.829  -2.019
   83    HD3  LYS  10           HD3      LYS  10  -5.132   5.169  -2.016
   84    HE2  LYS  10           HE2      LYS  10  -4.716   7.344  -1.003
   85    HE3  LYS  10           HE3      LYS  10  -2.988   7.001  -0.943
   86    HZ1  LYS  10           HZ1      LYS  10  -2.742   7.532  -3.082
   87    HZ2  LYS  10           HZ2      LYS  10  -4.135   6.702  -3.565
   88    HZ3  LYS  10           HZ3      LYS  10  -4.256   8.277  -2.959
   89    H    GLY  11           H        GLY  11  -3.898   0.903  -2.068
   90    HA2  GLY  11           HA2      GLY  11  -5.186   2.248  -4.327
   91    HA3  GLY  11           HA3      GLY  11  -3.815   1.150  -4.418
   92    H    LEU  12           H        LEU  12  -4.621  -0.241  -5.933
   93    HA   LEU  12           HA       LEU  12  -6.662  -2.081  -4.994
   94    HB2  LEU  12           HB2      LEU  12  -7.859  -1.969  -7.183
   95    HB3  LEU  12           HB3      LEU  12  -8.051  -0.552  -6.153
   96    HG   LEU  12           HG       LEU  12  -6.057   0.353  -7.642
   97   HD11  LEU  12          HD11      LEU  12  -6.978  -0.571 -10.038
   98   HD12  LEU  12          HD12      LEU  12  -5.507  -1.118  -9.234
   99   HD13  LEU  12          HD13      LEU  12  -7.004  -2.030  -9.047
  100   HD21  LEU  12          HD21      LEU  12  -8.476   0.531  -9.218
  101   HD22  LEU  12          HD22      LEU  12  -8.800   0.749  -7.498
  102   HD23  LEU  12          HD23      LEU  12  -7.625   1.781  -8.312
  103    HN1  NH2  13           HN1      NH2  13  -6.923  -3.921  -6.646
  104    HN2  NH2  13           HN2      NH2  13  -5.512  -4.517  -7.401
  Start of MODEL   19
    1    H1   ILE   1           H        ILE   1   8.813   7.135   1.372
    2    HA   ILE   1           HA       ILE   1  10.057   5.063  -0.169
    3    HB   ILE   1           HB       ILE   1   9.879   3.292   1.532
    4   HG12  ILE   1          HG12      ILE   1   9.480   5.556   3.497
    5   HG13  ILE   1          HG13      ILE   1   8.209   4.462   2.964
    6   HG21  ILE   1          HG21      ILE   1  11.917   3.788   2.684
    7   HG22  ILE   1          HG22      ILE   1  12.013   4.498   1.072
    8   HG23  ILE   1          HG23      ILE   1  11.676   5.521   2.468
    9   HD11  ILE   1          HD11      ILE   1   8.987   3.736   5.092
   10   HD12  ILE   1          HD12      ILE   1   9.545   2.578   3.885
   11   HD13  ILE   1          HD13      ILE   1  10.665   3.767   4.551
   12    H    PHE   2           H        PHE   2   8.564   3.033  -0.132
   13    HA   PHE   2           HA       PHE   2   5.766   3.957  -0.065
   14    HB2  PHE   2           HB2      PHE   2   5.382   2.345  -1.961
   15    HB3  PHE   2           HB3      PHE   2   6.394   3.728  -2.363
   16    HD1  PHE   2           HD1      PHE   2   6.299   0.115  -1.845
   17    HD2  PHE   2           HD2      PHE   2   8.754   3.455  -2.813
   18    HE1  PHE   2           HE1      PHE   2   8.055  -1.411  -2.646
   19    HE2  PHE   2           HE2      PHE   2  10.513   1.934  -3.617
   20    HZ   PHE   2           HZ       PHE   2  10.165  -0.503  -3.533
   21    H    GLY   3           H        GLY   3   4.229   2.593   0.770
   22    HA2  GLY   3           HA2      GLY   3   5.281   0.170   2.086
   23    HA3  GLY   3           HA3      GLY   3   3.955   1.143   2.706
   24    H    THR   4           H        THR   4   4.810  -1.557   0.871
   25    HA   THR   4           HA       THR   4   2.604  -1.753  -0.877
   26    HB   THR   4           HB       THR   4   3.130  -4.260  -0.789
   27    HG1  THR   4           HG1      THR   4   5.481  -3.404   0.546
   28   HG21  THR   4          HG21      THR   4   5.406  -3.863  -1.911
   29   HG22  THR   4          HG22      THR   4   3.997  -3.071  -2.615
   30   HG23  THR   4          HG23      THR   4   5.111  -2.152  -1.604
   31    H    ILE   5           H        ILE   5   3.115  -2.827   2.446
   32    HA   ILE   5           HA       ILE   5   0.866  -4.421   2.782
   33    HB   ILE   5           HB       ILE   5   0.977  -3.681   5.213
   34   HG12  ILE   5          HG12      ILE   5   3.481  -2.274   4.270
   35   HG13  ILE   5          HG13      ILE   5   1.982  -1.439   4.661
   36   HG21  ILE   5          HG21      ILE   5   2.530  -5.274   5.574
   37   HG22  ILE   5          HG22      ILE   5   2.409  -5.498   3.829
   38   HG23  ILE   5          HG23      ILE   5   3.710  -4.517   4.504
   39   HD11  ILE   5          HD11      ILE   5   2.209  -2.646   6.942
   40   HD12  ILE   5          HD12      ILE   5   3.897  -2.835   6.468
   41   HD13  ILE   5          HD13      ILE   5   3.193  -1.223   6.602
   42    H    LEU   6           H        LEU   6   1.180  -0.928   2.803
   43    HA   LEU   6           HA       LEU   6  -1.550  -0.531   3.685
   44    HB2  LEU   6           HB2      LEU   6   0.414   0.974   4.249
   45    HB3  LEU   6           HB3      LEU   6   0.324   1.548   2.586
   46    HG   LEU   6           HG       LEU   6  -2.097   1.699   4.333
   47   HD11  LEU   6          HD11      LEU   6   0.297   3.512   4.425
   48   HD12  LEU   6          HD12      LEU   6  -1.315   4.040   4.904
   49   HD13  LEU   6          HD13      LEU   6  -0.530   2.716   5.763
   50   HD21  LEU   6          HD21      LEU   6  -2.856   2.603   2.447
   51   HD22  LEU   6          HD22      LEU   6  -1.799   3.976   2.771
   52   HD23  LEU   6          HD23      LEU   6  -1.240   2.657   1.742
   53    H    GLY   7           H        GLY   7   0.334  -0.163   0.707
   54    HA2  GLY   7           HA2      GLY   7  -1.705   0.947  -0.881
   55    HA3  GLY   7           HA3      GLY   7  -0.314   0.057  -1.484
   56    H    PHE   8           H        PHE   8  -0.871  -2.414  -0.190
   57    HA   PHE   8           HA       PHE   8  -2.441  -3.683  -2.090
   58    HB2  PHE   8           HB2      PHE   8  -0.853  -4.881  -0.664
   59    HB3  PHE   8           HB3      PHE   8  -1.862  -4.568   0.744
   60    HD1  PHE   8           HD1      PHE   8  -3.674  -5.967   1.275
   61    HD2  PHE   8           HD2      PHE   8  -1.730  -6.347  -2.492
   62    HE1  PHE   8           HE1      PHE   8  -4.907  -8.054   0.853
   63    HE2  PHE   8           HE2      PHE   8  -2.961  -8.434  -2.920
   64    HZ   PHE   8           HZ       PHE   8  -4.551  -9.291  -1.246
   65    H    LEU   9           H        LEU   9  -3.346  -2.297   1.011
   66    HA   LEU   9           HA       LEU   9  -5.965  -3.355   1.120
   67    HB2  LEU   9           HB2      LEU   9  -4.518  -2.190   2.940
   68    HB3  LEU   9           HB3      LEU   9  -5.239  -0.710   2.310
   69    HG   LEU   9           HG       LEU   9  -7.471  -1.584   2.853
   70   HD11  LEU   9          HD11      LEU   9  -7.129  -3.621   4.611
   71   HD12  LEU   9          HD12      LEU   9  -7.605  -3.822   2.924
   72   HD13  LEU   9          HD13      LEU   9  -5.916  -4.012   3.393
   73   HD21  LEU   9          HD21      LEU   9  -6.831  -0.256   4.580
   74   HD22  LEU   9          HD22      LEU   9  -6.915  -1.790   5.448
   75   HD23  LEU   9          HD23      LEU   9  -5.358  -1.175   4.890
   76    H    LYS  10           H        LYS  10  -4.696  -0.249  -0.041
   77    HA   LYS  10           HA       LYS  10  -7.167   0.879  -0.761
   78    HB2  LYS  10           HB2      LYS  10  -4.316   1.394  -1.452
   79    HB3  LYS  10           HB3      LYS  10  -5.549   2.124  -2.472
   80    HG2  LYS  10           HG2      LYS  10  -6.471   3.323  -0.636
   81    HG3  LYS  10           HG3      LYS  10  -5.474   2.436   0.519
   82    HD2  LYS  10           HD2      LYS  10  -3.478   3.467  -0.317
   83    HD3  LYS  10           HD3      LYS  10  -4.362   4.209  -1.653
   84    HE2  LYS  10           HE2      LYS  10  -3.965   5.875   0.030
   85    HE3  LYS  10           HE3      LYS  10  -5.685   5.493   0.010
   86    HZ1  LYS  10           HZ1      LYS  10  -5.163   5.506   2.248
   87    HZ2  LYS  10           HZ2      LYS  10  -5.075   3.858   1.873
   88    HZ3  LYS  10           HZ3      LYS  10  -3.657   4.769   2.023
   89    H    GLY  11           H        GLY  11  -4.915  -1.186  -2.528
   90    HA2  GLY  11           HA2      GLY  11  -5.753  -2.752  -4.150
   91    HA3  GLY  11           HA3      GLY  11  -7.025  -1.604  -4.540
   92    H    LEU  12           H        LEU  12  -5.644   0.715  -4.942
   93    HA   LEU  12           HA       LEU  12  -4.354   0.150  -7.476
   94    HB2  LEU  12           HB2      LEU  12  -5.376   2.606  -6.116
   95    HB3  LEU  12           HB3      LEU  12  -4.257   2.755  -7.469
   96    HG   LEU  12           HG       LEU  12  -6.916   1.338  -7.605
   97   HD11  LEU  12          HD11      LEU  12  -7.883   3.243  -8.485
   98   HD12  LEU  12          HD12      LEU  12  -6.877   3.897  -7.194
   99   HD13  LEU  12          HD13      LEU  12  -6.329   3.984  -8.867
  100   HD21  LEU  12          HD21      LEU  12  -4.675   1.779  -9.485
  101   HD22  LEU  12          HD22      LEU  12  -5.825   0.447  -9.379
  102   HD23  LEU  12          HD23      LEU  12  -6.306   1.969 -10.129
  103    HN1  NH2  13           HN1      NH2  13  -3.514   2.516  -4.950
  104    HN2  NH2  13           HN2      NH2  13  -1.829   2.242  -4.932
  Start of MODEL   20
    1    H1   ILE   1           H        ILE   1   6.366   5.969  -3.036
    2    HA   ILE   1           HA       ILE   1   5.865   5.770  -0.196
    3    HB   ILE   1           HB       ILE   1   4.223   4.705  -2.497
    4   HG12  ILE   1          HG12      ILE   1   3.968   7.290  -0.945
    5   HG13  ILE   1          HG13      ILE   1   4.500   7.143  -2.615
    6   HG21  ILE   1          HG21      ILE   1   2.401   4.617  -0.882
    7   HG22  ILE   1          HG22      ILE   1   3.754   3.615  -0.357
    8   HG23  ILE   1          HG23      ILE   1   3.484   5.192   0.386
    9   HD11  ILE   1          HD11      ILE   1   1.830   7.254  -1.527
   10   HD12  ILE   1          HD12      ILE   1   2.386   7.467  -3.187
   11   HD13  ILE   1          HD13      ILE   1   2.057   5.848  -2.568
   12    H    PHE   2           H        PHE   2   6.962   4.242   0.868
   13    HA   PHE   2           HA       PHE   2   7.359   1.623  -0.381
   14    HB2  PHE   2           HB2      PHE   2   9.336   2.744   0.581
   15    HB3  PHE   2           HB3      PHE   2   8.551   2.758   2.157
   16    HD1  PHE   2           HD1      PHE   2  10.100   0.639  -0.410
   17    HD2  PHE   2           HD2      PHE   2   8.455   0.796   3.512
   18    HE1  PHE   2           HE1      PHE   2  11.041  -1.584   0.069
   19    HE2  PHE   2           HE2      PHE   2   9.394  -1.427   3.998
   20    HZ   PHE   2           HZ       PHE   2  10.690  -2.619   2.276
   21    H    GLY   3           H        GLY   3   6.235  -0.119   0.216
   22    HA2  GLY   3           HA2      GLY   3   5.460  -1.248   2.411
   23    HA3  GLY   3           HA3      GLY   3   4.409   0.158   2.506
   24    H    THR   4           H        THR   4   5.040  -2.856   0.888
   25    HA   THR   4           HA       THR   4   3.160  -2.718  -1.173
   26    HB   THR   4           HB       THR   4   3.083  -5.262  -0.931
   27    HG1  THR   4           HG1      THR   4   5.032  -5.898   0.433
   28   HG21  THR   4          HG21      THR   4   5.403  -3.552  -1.570
   29   HG22  THR   4          HG22      THR   4   5.747  -5.268  -1.354
   30   HG23  THR   4          HG23      THR   4   4.570  -4.749  -2.561
   31    H    ILE   5           H        ILE   5   2.791  -4.167   2.066
   32    HA   ILE   5           HA       ILE   5   0.108  -4.857   1.869
   33    HB   ILE   5           HB       ILE   5   0.080  -4.583   4.399
   34   HG12  ILE   5          HG12      ILE   5   3.030  -4.066   3.990
   35   HG13  ILE   5          HG13      ILE   5   1.866  -2.810   4.394
   36   HG21  ILE   5          HG21      ILE   5   2.315  -6.295   4.232
   37   HG22  ILE   5          HG22      ILE   5   0.607  -6.733   4.255
   38   HG23  ILE   5          HG23      ILE   5   1.426  -6.455   2.717
   39   HD11  ILE   5          HD11      ILE   5   1.700  -5.059   6.204
   40   HD12  ILE   5          HD12      ILE   5   3.314  -4.350   6.164
   41   HD13  ILE   5          HD13      ILE   5   1.918  -3.342   6.545
   42    H    LEU   6           H        LEU   6   1.594  -1.768   2.607
   43    HA   LEU   6           HA       LEU   6  -0.744  -0.462   3.531
   44    HB2  LEU   6           HB2      LEU   6   1.935   0.396   2.563
   45    HB3  LEU   6           HB3      LEU   6   0.657   1.603   2.665
   46    HG   LEU   6           HG       LEU   6   1.345  -0.101   5.032
   47   HD11  LEU   6          HD11      LEU   6   2.664   2.517   4.334
   48   HD12  LEU   6          HD12      LEU   6   2.941   1.534   5.772
   49   HD13  LEU   6          HD13      LEU   6   3.431   0.937   4.186
   50   HD21  LEU   6          HD21      LEU   6  -0.336   2.209   4.445
   51   HD22  LEU   6          HD22      LEU   6  -0.406   1.065   5.785
   52   HD23  LEU   6          HD23      LEU   6   0.702   2.437   5.852
   53    H    GLY   7           H        GLY   7   0.894  -0.414   0.363
   54    HA2  GLY   7           HA2      GLY   7  -1.070   1.179  -0.912
   55    HA3  GLY   7           HA3      GLY   7   0.133   0.185  -1.719
   56    H    PHE   8           H        PHE   8  -0.679  -2.310  -0.576
   57    HA   PHE   8           HA       PHE   8  -2.679  -3.044  -2.434
   58    HB2  PHE   8           HB2      PHE   8  -1.208  -4.413  -0.234
   59    HB3  PHE   8           HB3      PHE   8  -2.683  -5.169  -0.827
   60    HD1  PHE   8           HD1      PHE   8  -2.134  -6.955  -2.160
   61    HD2  PHE   8           HD2      PHE   8   0.077  -3.338  -2.542
   62    HE1  PHE   8           HE1      PHE   8  -0.879  -7.925  -4.041
   63    HE2  PHE   8           HE2      PHE   8   1.335  -4.301  -4.424
   64    HZ   PHE   8           HZ       PHE   8   0.859  -6.597  -5.175
   65    H    LEU   9           H        LEU   9  -2.748  -2.462   1.053
   66    HA   LEU   9           HA       LEU   9  -5.306  -3.311   1.652
   67    HB2  LEU   9           HB2      LEU   9  -3.822  -2.625   3.389
   68    HB3  LEU   9           HB3      LEU   9  -3.722  -0.992   2.736
   69    HG   LEU   9           HG       LEU   9  -6.107  -0.660   3.331
   70   HD11  LEU   9          HD11      LEU   9  -6.519  -2.614   5.265
   71   HD12  LEU   9          HD12      LEU   9  -7.349  -2.460   3.717
   72   HD13  LEU   9          HD13      LEU   9  -5.925  -3.492   3.855
   73   HD21  LEU   9          HD21      LEU   9  -4.315  -1.478   5.615
   74   HD22  LEU   9          HD22      LEU   9  -4.317   0.093   4.815
   75   HD23  LEU   9          HD23      LEU   9  -5.731  -0.433   5.729
   76    H    LYS  10           H        LYS  10  -4.323  -0.026   0.673
   77    HA   LYS  10           HA       LYS  10  -6.989   0.942   0.479
   78    HB2  LYS  10           HB2      LYS  10  -5.985   2.902  -0.596
   79    HB3  LYS  10           HB3      LYS  10  -5.094   2.445   0.851
   80    HG2  LYS  10           HG2      LYS  10  -3.434   1.302  -0.581
   81    HG3  LYS  10           HG3      LYS  10  -4.301   1.893  -2.001
   82    HD2  LYS  10           HD2      LYS  10  -3.993   4.217  -0.775
   83    HD3  LYS  10           HD3      LYS  10  -2.631   3.375  -0.033
   84    HE2  LYS  10           HE2      LYS  10  -1.484   3.216  -1.999
   85    HE3  LYS  10           HE3      LYS  10  -2.951   3.159  -2.976
   86    HZ1  LYS  10           HZ1      LYS  10  -1.429   5.268  -2.954
   87    HZ2  LYS  10           HZ2      LYS  10  -3.113   5.419  -3.033
   88    HZ3  LYS  10           HZ3      LYS  10  -2.311   5.645  -1.559
   89    H    GLY  11           H        GLY  11  -4.699  -0.419  -1.833
   90    HA2  GLY  11           HA2      GLY  11  -4.992  -1.209  -3.967
   91    HA3  GLY  11           HA3      GLY  11  -6.696  -1.361  -3.567
   92    H    LEU  12           H        LEU  12  -4.272   1.071  -4.494
   93    HA   LEU  12           HA       LEU  12  -6.254   2.244  -6.303
   94    HB2  LEU  12           HB2      LEU  12  -4.663   3.724  -4.222
   95    HB3  LEU  12           HB3      LEU  12  -5.400   4.523  -5.609
   96    HG   LEU  12           HG       LEU  12  -6.944   2.968  -3.537
   97   HD11  LEU  12          HD11      LEU  12  -6.563   4.698  -2.186
   98   HD12  LEU  12          HD12      LEU  12  -5.851   5.662  -3.481
   99   HD13  LEU  12          HD13      LEU  12  -7.601   5.626  -3.269
  100   HD21  LEU  12          HD21      LEU  12  -7.661   4.574  -5.950
  101   HD22  LEU  12          HD22      LEU  12  -8.298   3.024  -5.400
  102   HD23  LEU  12          HD23      LEU  12  -8.768   4.513  -4.579
  103    HN1  NH2  13           HN1      NH2  13  -5.352   3.438  -8.052
  104    HN2  NH2  13           HN2      NH2  13  -3.738   3.241  -8.573