*HEADER    ANTIMICROBIAL PROTEIN                   20-JUL-20   7JGY              
*TITLE     SOLUTION NMR STRUCTURE OF PROTONECTIN, A PEPTIDE FROM WASP            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTONECTIN PEPTIDE ILE-LEU-GLY-THR-ILE-LEU-GLY-LEU-LEU-   
*COMPND   3 LYS-GLY-LEU-NH2;                                                     
*COMPND   4 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PARACHARTERGUS FRATERNUS;                       
*SOURCE   3 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 7JGY    0                                                
# Restraints file 1: protonectin_pdb_restraints.txt
#distance restraints
  2 LEU  HA      3 GLY  H       3.56  #peak 2 #plist 1 #SUP 0.98 #QF 0.98
  1 ILE  HA      1 ILE  QG2     3.80  #peak 36 #plist 1 #SUP 0.96 #QF 0.96
  1 ILE  HA      1 ILE  QD1     4.08  #peak 37 #plist 1 #SUP 0.90 #QF 0.90
  4 THR  H       4 THR  HB      3.77  #peak 52 #plist 1 #SUP 0.98 #QF 0.97
  4 THR  HB      5 ILE  H       4.27  #peak 53 #plist 1 #SUP 0.99 #QF 0.98
  5 ILE  HA      8 LEU  H       4.41  #peak 54 #plist 1 #SUP 0.79 #QF 0.79
  5 ILE  HB      6 LEU  H       4.06  #peak 60 #plist 1 #SUP 0.92 #QF 0.92
  5 ILE  H       5 ILE  HB      3.42  #peak 61 #plist 1 #SUP 0.93 #QF 0.93
 10 LYS  HB2    11 GLY  H       4.92  #peak 63 #plist 1 #SUP 0.99 #QF 0.88
 10 LYS  HB3    11 GLY  H       4.92  #peak 63 #plist 1 #SUP 0.99 #QF 0.88
 10 LYS  H      10 LYS  HB2     3.77  #peak 64 #plist 1 #SUP 0.83 #QF 0.67
 10 LYS  H      10 LYS  HB3     3.77  #peak 64 #plist 1 #SUP 0.83 #QF 0.67
  8 LEU  H       8 LEU  HB2     3.64  #peak 66 #plist 1 #SUP 0.96 #QF 0.96
  6 LEU  HB2     7 GLY  H       4.78  #peak 69 #plist 1 #SUP 0.92 #QF 0.92
  8 LEU  H       8 LEU  HB3     3.64  #peak 70 #plist 1 #SUP 0.84 #QF 0.84
  2 LEU  HB2     3 GLY  H       4.78  #peak 73 #plist 1 #SUP 0.99 #QF 0.92
  2 LEU  HB3     3 GLY  H       4.78  #peak 73 #plist 1 #SUP 0.99 #QF 0.92
  6 LEU  HB3     7 GLY  H       4.78  #peak 78 #plist 1 #SUP 0.92 #QF 0.92
  5 ILE  H       5 ILE  HG12    4.14  #peak 80 #plist 1 #SUP 0.97 #QF 0.97
  5 ILE  H       5 ILE  HG13    4.14  #peak 84 #plist 1 #SUP 0.99 #QF 0.99
  4 THR  H       4 THR  QG2     4.22  #peak 86 #plist 1 #SUP 0.99 #QF 0.99
  5 ILE  QG2     6 LEU  H       4.65  #peak 87 #plist 1 #SUP 0.97 #QF 0.97
  5 ILE  H       5 ILE  QG2     4.48  #peak 88 #plist 1 #SUP 0.98 #QF 0.98
 12 LEU  H      13 CAM  H1      4.17  #peak 89 #plist 1 #SUP 0.97 #QF 0.97
  8 LEU  H       9 LEU  H       3.94  #peak 90 #plist 1 #SUP 0.99 #QF 0.99
  5 ILE  H       6 LEU  H       3.86  #peak 94 #plist 1 #SUP 0.89 #QF 0.89
 10 LYS  H      11 GLY  H       3.82  #peak 103 #plist 1 #SUP 0.90 #QF 0.90
  7 GLY  H       8 LEU  H       3.96  #peak 104 #plist 1 #SUP 0.92 #QF 0.92
  2 LEU  HA      2 LEU  HG      4.05  #peak 109 #plist 1 #SUP 1.00 #QF 0.96
  2 LEU  HA      2 LEU  QD2     3.94  #peak 110 #plist 1 #SUP 0.91 #QF 0.91
  2 LEU  HA      2 LEU  QD1     3.94  #peak 111 #plist 1 #SUP 0.84 #QF 0.84
 12 LEU  HA     12 LEU  QD1     4.55  #peak 114 #plist 1 #SUP 0.79 #QF 0.35
 12 LEU  HA     12 LEU  QD2     4.55  #peak 114 #plist 1 #SUP 0.79 #QF 0.35
  4 THR  HA      4 THR  QG2     3.31  #peak 118 #plist 1 #SUP 0.98 #QF 0.53
 10 LYS  HA     10 LYS  HD2     5.43  #peak 120 #plist 1 #SUP 0.98 #QF 0.89
 10 LYS  HA     10 LYS  HD3     5.43  #peak 120 #plist 1 #SUP 0.98 #QF 0.89
  9 LEU  HA      9 LEU  QD1     4.62  #peak 123 #plist 1 #SUP 0.91 #QF 0.69
  9 LEU  HA      9 LEU  QD2     4.62  #peak 123 #plist 1 #SUP 0.91 #QF 0.69
  6 LEU  HA      6 LEU  HG      4.21  #peak 127 #plist 1 #SUP 0.99 #QF 0.91
  5 ILE  HA      8 LEU  HB2     4.92  #peak 134 #plist 1 #SUP 0.83 #QF 0.77
  5 ILE  HA      8 LEU  HB3     4.92  #peak 135 #plist 1 #SUP 0.79 #QF 0.79
  5 ILE  HA      5 ILE  QG2     3.65  #peak 136 #plist 1 #SUP 0.99 #QF 0.99
  5 ILE  HA      5 ILE  QD1     4.17  #peak 137 #plist 1 #SUP 0.91 #QF 0.81
 10 LYS  HA     10 LYS  HE2     5.50  #peak 139 #plist 1 #SUP 0.92 #QF 0.70
 10 LYS  HA     10 LYS  HE3     5.50  #peak 139 #plist 1 #SUP 0.92 #QF 0.70
  3 GLY  H       4 THR  H       4.57  #peak 140 #plist 1 #SUP 0.98 #QF 0.98
 12 LEU  HG     13 CAM  H1      5.50  #peak 142 #plist 1 #SUP 0.99 #QF 0.99
  2 LEU  HA      2 LEU  QQD     3.37  #peak 111 #plist 1
  2 LEU  QB      3 GLY  H       4.08  #peak 73 #plist 1
  5 ILE  HA      8 LEU  QB      4.06  #peak 135 #plist 1
  6 LEU  H       6 LEU  QB      3.19  #peak 72 #plist 1
  6 LEU  HA      6 LEU  QQD     3.21  #peak 128 #plist 1
  6 LEU  QB      7 GLY  H       4.14  #peak 69 #plist 1
  8 LEU  H       8 LEU  QB      3.19  #peak 66 #plist 1
  8 LEU  HA      8 LEU  QQD     3.41  #peak 117 #plist 1
  8 LEU  QB      9 LEU  H       4.26  #peak 71 #plist 1
  9 LEU  H       9 LEU  QB      3.03  #peak 65 #plist 1
  9 LEU  HA      9 LEU  QQD     3.97  #peak 123 #plist 1
  9 LEU  QB     10 LYS  H       4.27  #peak 82 #plist 1
 10 LYS  H      10 LYS  QB      3.13  #peak 64 #plist 1
 10 LYS  HA     10 LYS  QD      4.68  #peak 120 #plist 1
 10 LYS  QB     11 GLY  H       4.29  #peak 63 #plist 1
 12 LEU  H      12 LEU  QB      3.11  #peak 68 #plist 1
 12 LEU  HA     12 LEU  QQD     3.91  #peak 114 #plist 1

#dihedral angle restraints

#    2 L  -62.010  -37.256    5.072    6.203    0.781 0.837 25 12 Strong
   2   LEU  PHI     -82.0   -42.0
   2   LEU  PSI     -57.3   -17.3

#    3 G  -62.115  -42.674    3.156    3.586    0.558 0.850 25 14 Strong
   3   GLY  PHI     -82.1   -42.1
   3   GLY  PSI     -62.7   -22.7

#    4 T  -66.746  -40.138    3.229    4.490    0.462 0.868 25 14 Strong
   4   THR  PHI     -86.7   -46.7
   4   THR  PSI     -60.1   -20.1

#    5 I  -65.282  -43.862    4.171    4.771    0.376 0.877 25 15 Strong
   5   ILE  PHI     -85.3   -45.3
   5   ILE  PSI     -63.9   -23.9

#    6 L  -64.400  -42.644    3.689    5.542    0.320 0.879 25 14 Strong
   6   LEU  PHI     -84.4   -44.4
   6   LEU  PSI     -62.6   -22.6

#    7 G  -63.217  -40.150    3.622    4.735    0.332 0.870 25 14 Strong
   7   GLY  PHI     -83.2   -43.2
   7   GLY  PSI     -60.1   -20.1

#    8 L  -63.526  -44.130    3.270    4.203    0.307 0.864 25 14 Strong
   8   LEU  PHI     -83.5   -43.5
   8   LEU  PSI     -64.1   -24.1

#    9 L  -63.799  -42.137    2.790    3.315    0.371 0.865 25 15 Strong
   9   LEU  PHI     -83.8   -43.8
   9   LEU  PSI     -62.1   -22.1

#   10 K  -62.920  -39.880    4.523    5.504    0.426 0.863 25 14 Strong
  10   LYS  PHI     -82.9   -42.9
  10   LYS  PSI     -59.9   -19.9

#   11 G  -61.930  -38.029    4.415    6.341    0.545 0.856 25 14 Strong
  11   GLY  PHI     -81.9   -41.9
  11   GLY  PSI     -58.0   -18.0

#hbond restraints
7 GLY H 3 GLY O 2
7 GLY N 3 GLY O 3
11 GLY H 7 GLY O 2
11 GLY N 7 GLY O 3
12 LEU H 8 LEU O 2
12 LEU N 8 LEU O 3
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ILE   1           H        ILE   1 -10.200   0.095   2.704
    2    HA   ILE   1           HA       ILE   1  -8.648  -1.782   1.623
    3    HB   ILE   1           HB       ILE   1 -10.873  -1.311   0.757
    4   HG12  ILE   1          HG12      ILE   1  -8.993  -1.075  -1.582
    5   HG13  ILE   1          HG13      ILE   1  -9.048  -2.532  -0.598
    6   HG21  ILE   1          HG21      ILE   1 -11.330   0.503  -0.754
    7   HG22  ILE   1          HG22      ILE   1 -10.635   1.158   0.730
    8   HG23  ILE   1          HG23      ILE   1  -9.641   1.009  -0.719
    9   HD11  ILE   1          HD11      ILE   1 -11.483  -2.684  -1.099
   10   HD12  ILE   1          HD12      ILE   1 -11.274  -1.346  -2.229
   11   HD13  ILE   1          HD13      ILE   1 -10.428  -2.870  -2.500
   12    H    LEU   2           H        LEU   2  -8.252   1.668   1.072
   13    HA   LEU   2           HA       LEU   2  -6.157   1.307  -0.877
   14    HB2  LEU   2           HB2      LEU   2  -7.700   3.233  -0.926
   15    HB3  LEU   2           HB3      LEU   2  -7.015   3.792   0.598
   16    HG   LEU   2           HG       LEU   2  -4.857   4.145  -0.501
   17   HD11  LEU   2          HD11      LEU   2  -6.201   2.707  -2.675
   18   HD12  LEU   2          HD12      LEU   2  -5.287   4.128  -3.180
   19   HD13  LEU   2          HD13      LEU   2  -4.487   2.837  -2.283
   20   HD21  LEU   2          HD21      LEU   2  -5.812   5.872  -2.258
   21   HD22  LEU   2          HD22      LEU   2  -7.334   5.478  -1.461
   22   HD23  LEU   2          HD23      LEU   2  -5.990   6.126  -0.522
   23    H    GLY   3           H        GLY   3  -6.405   2.022   2.558
   24    HA2  GLY   3           HA2      GLY   3  -3.835   2.870   3.125
   25    HA3  GLY   3           HA3      GLY   3  -4.829   1.929   4.227
   26    H    THR   4           H        THR   4  -4.973  -0.506   3.323
   27    HA   THR   4           HA       THR   4  -2.552  -1.703   3.884
   28    HB   THR   4           HB       THR   4  -4.653  -2.943   3.947
   29    HG1  THR   4           HG1      THR   4  -3.758  -4.826   3.277
   30   HG21  THR   4          HG21      THR   4  -5.255  -1.825   1.575
   31   HG22  THR   4          HG22      THR   4  -4.696  -3.405   1.026
   32   HG23  THR   4          HG23      THR   4  -6.028  -3.292   2.177
   33    H    ILE   5           H        ILE   5  -3.836  -0.663   0.781
   34    HA   ILE   5           HA       ILE   5  -1.815  -1.912  -0.797
   35    HB   ILE   5           HB       ILE   5  -3.616   0.410  -1.495
   36   HG12  ILE   5          HG12      ILE   5  -4.837  -1.647  -0.867
   37   HG13  ILE   5          HG13      ILE   5  -5.036  -1.253  -2.571
   38   HG21  ILE   5          HG21      ILE   5  -3.134  -0.611  -3.854
   39   HG22  ILE   5          HG22      ILE   5  -1.990   0.513  -3.118
   40   HG23  ILE   5          HG23      ILE   5  -1.679  -1.222  -3.068
   41   HD11  ILE   5          HD11      ILE   5  -4.266  -3.237  -3.160
   42   HD12  ILE   5          HD12      ILE   5  -2.787  -2.987  -2.234
   43   HD13  ILE   5          HD13      ILE   5  -4.208  -3.678  -1.453
   44    H    LEU   6           H        LEU   6  -2.249   1.313   0.577
   45    HA   LEU   6           HA       LEU   6  -0.006   2.496  -0.688
   46    HB2  LEU   6           HB2      LEU   6  -1.902   3.735   0.338
   47    HB3  LEU   6           HB3      LEU   6  -1.292   3.274   1.925
   48    HG   LEU   6           HG       LEU   6   0.754   4.558   1.504
   49   HD11  LEU   6          HD11      LEU   6  -0.208   4.501  -1.188
   50   HD12  LEU   6          HD12      LEU   6  -0.006   6.174  -0.667
   51   HD13  LEU   6          HD13      LEU   6   1.350   5.050  -0.571
   52   HD21  LEU   6          HD21      LEU   6  -0.894   5.752   2.675
   53   HD22  LEU   6          HD22      LEU   6  -0.374   6.840   1.389
   54   HD23  LEU   6          HD23      LEU   6  -1.891   5.955   1.236
   55    H    GLY   7           H        GLY   7  -0.440   0.732   2.325
   56    HA2  GLY   7           HA2      GLY   7   2.172   1.314   3.344
   57    HA3  GLY   7           HA3      GLY   7   1.066   0.091   3.951
   58    H    LEU   8           H        LEU   8   0.757  -1.368   1.532
   59    HA   LEU   8           HA       LEU   8   2.825  -3.205   1.732
   60    HB2  LEU   8           HB2      LEU   8   0.717  -2.647  -0.291
   61    HB3  LEU   8           HB3      LEU   8   2.010  -3.766  -0.720
   62    HG   LEU   8           HG       LEU   8   0.512  -4.203   1.821
   63   HD11  LEU   8          HD11      LEU   8  -0.753  -5.747  -0.141
   64   HD12  LEU   8          HD12      LEU   8  -1.447  -4.431   0.807
   65   HD13  LEU   8          HD13      LEU   8  -0.724  -4.099  -0.767
   66   HD21  LEU   8          HD21      LEU   8   2.194  -5.753   1.623
   67   HD22  LEU   8          HD22      LEU   8   0.864  -6.607   0.841
   68   HD23  LEU   8          HD23      LEU   8   2.091  -5.802  -0.138
   69    H    LEU   9           H        LEU   9   2.359  -0.672  -0.724
   70    HA   LEU   9           HA       LEU   9   4.681  -1.193  -2.200
   71    HB2  LEU   9           HB2      LEU   9   2.891   1.163  -1.857
   72    HB3  LEU   9           HB3      LEU   9   4.426   1.380  -2.695
   73    HG   LEU   9           HG       LEU   9   2.360  -0.649  -3.528
   74   HD11  LEU   9          HD11      LEU   9   1.719   0.939  -5.275
   75   HD12  LEU   9          HD12      LEU   9   1.378   1.572  -3.665
   76   HD13  LEU   9          HD13      LEU   9   2.781   2.152  -4.562
   77   HD21  LEU   9          HD21      LEU   9   4.386   0.558  -5.338
   78   HD22  LEU   9          HD22      LEU   9   4.923  -0.659  -4.179
   79   HD23  LEU   9          HD23      LEU   9   3.668  -1.053  -5.354
   80    H    LYS  10           H        LYS  10   4.117   1.084   0.469
   81    HA   LYS  10           HA       LYS  10   6.594   2.300   0.573
   82    HB2  LYS  10           HB2      LYS  10   4.588   1.621   2.704
   83    HB3  LYS  10           HB3      LYS  10   6.099   2.420   3.114
   84    HG2  LYS  10           HG2      LYS  10   4.218   3.504   1.041
   85    HG3  LYS  10           HG3      LYS  10   4.083   3.904   2.754
   86    HD2  LYS  10           HD2      LYS  10   6.224   4.931   2.772
   87    HD3  LYS  10           HD3      LYS  10   6.619   4.287   1.176
   88    HE2  LYS  10           HE2      LYS  10   6.048   6.659   1.062
   89    HE3  LYS  10           HE3      LYS  10   4.883   5.677   0.176
   90    HZ1  LYS  10          1HZ       LYS  10   3.240   6.119   1.659
   91    HZ2  LYS  10          2HZ       LYS  10   4.292   6.300   2.972
   92    HZ3  LYS  10          3HZ       LYS  10   4.128   7.547   1.841
   93    H    GLY  11           H        GLY  11   5.575  -0.533   2.497
   94    HA2  GLY  11           HA2      GLY  11   8.089  -1.082   3.600
   95    HA3  GLY  11           HA3      GLY  11   6.790  -2.251   3.411
   96    H    LEU  12           H        LEU  12   6.577  -2.358   0.652
   97    HA   LEU  12           HA       LEU  12   9.181  -3.525  -0.076
   98    HB2  LEU  12           HB2      LEU  12   7.060  -4.977   0.186
   99    HB3  LEU  12           HB3      LEU  12   6.578  -4.272  -1.356
  100    HG   LEU  12           HG       LEU  12   9.214  -5.671  -1.059
  101   HD11  LEU  12          HD11      LEU  12   6.567  -6.859  -0.911
  102   HD12  LEU  12          HD12      LEU  12   7.525  -7.491  -2.250
  103   HD13  LEU  12          HD13      LEU  12   8.149  -7.573  -0.603
  104   HD21  LEU  12          HD21      LEU  12   8.482  -6.181  -3.524
  105   HD22  LEU  12          HD22      LEU  12   7.437  -4.782  -3.281
  106   HD23  LEU  12          HD23      LEU  12   9.183  -4.619  -3.099
  107    HN1  NH2  13           HN1      NH2  13  10.043  -1.666  -1.016
  108    HN2  NH2  13           HN2      NH2  13   9.500  -0.993  -2.489
  Start of MODEL    2
    1    H1   ILE   1           H        ILE   1  -9.575  -1.966   0.127
    2    HA   ILE   1           HA       ILE   1  -9.943   0.734   1.225
    3    HB   ILE   1           HB       ILE   1  -8.180  -1.359   2.502
    4   HG12  ILE   1          HG12      ILE   1 -10.569  -1.861   2.839
    5   HG13  ILE   1          HG13      ILE   1  -9.795  -1.368   4.341
    6   HG21  ILE   1          HG21      ILE   1  -7.150   0.461   3.293
    7   HG22  ILE   1          HG22      ILE   1  -8.457   1.532   2.790
    8   HG23  ILE   1          HG23      ILE   1  -8.573   0.655   4.316
    9   HD11  ILE   1          HD11      ILE   1 -11.404   0.120   4.607
   10   HD12  ILE   1          HD12      ILE   1 -10.798   0.976   3.188
   11   HD13  ILE   1          HD13      ILE   1 -12.061  -0.243   3.010
   12    H    LEU   2           H        LEU   2  -8.442   2.181   0.601
   13    HA   LEU   2           HA       LEU   2  -6.506   1.371  -1.372
   14    HB2  LEU   2           HB2      LEU   2  -7.953   3.541  -1.241
   15    HB3  LEU   2           HB3      LEU   2  -6.641   4.123  -0.218
   16    HG   LEU   2           HG       LEU   2  -5.064   3.705  -2.089
   17   HD11  LEU   2          HD11      LEU   2  -6.621   3.659  -4.332
   18   HD12  LEU   2          HD12      LEU   2  -5.781   2.269  -3.645
   19   HD13  LEU   2          HD13      LEU   2  -7.480   2.552  -3.261
   20   HD21  LEU   2          HD21      LEU   2  -6.959   5.459  -3.420
   21   HD22  LEU   2          HD22      LEU   2  -6.802   5.813  -1.700
   22   HD23  LEU   2          HD23      LEU   2  -5.373   5.816  -2.734
   23    H    GLY   3           H        GLY   3  -6.476   2.499   1.962
   24    HA2  GLY   3           HA2      GLY   3  -3.783   3.066   2.293
   25    HA3  GLY   3           HA3      GLY   3  -4.827   2.435   3.559
   26    H    THR   4           H        THR   4  -5.397  -0.067   2.282
   27    HA   THR   4           HA       THR   4  -3.250  -1.601   3.250
   28    HB   THR   4           HB       THR   4  -4.376  -3.530   2.142
   29    HG1  THR   4           HG1      THR   4  -6.260  -3.146   0.974
   30   HG21  THR   4          HG21      THR   4  -5.120  -3.044   4.333
   31   HG22  THR   4          HG22      THR   4  -6.012  -1.620   3.798
   32   HG23  THR   4          HG23      THR   4  -6.585  -3.232   3.370
   33    H    ILE   5           H        ILE   5  -4.265  -0.881  -0.085
   34    HA   ILE   5           HA       ILE   5  -2.189  -2.314  -1.344
   35    HB   ILE   5           HB       ILE   5  -3.730   0.065  -2.387
   36   HG12  ILE   5          HG12      ILE   5  -4.222  -2.883  -2.847
   37   HG13  ILE   5          HG13      ILE   5  -5.102  -1.911  -1.672
   38   HG21  ILE   5          HG21      ILE   5  -1.963  -1.952  -3.748
   39   HG22  ILE   5          HG22      ILE   5  -3.136  -0.963  -4.618
   40   HG23  ILE   5          HG23      ILE   5  -1.810  -0.195  -3.742
   41   HD11  ILE   5          HD11      ILE   5  -5.657  -2.283  -4.407
   42   HD12  ILE   5          HD12      ILE   5  -6.515  -1.276  -3.241
   43   HD13  ILE   5          HD13      ILE   5  -5.194  -0.595  -4.190
   44    H    LEU   6           H        LEU   6  -2.500   1.118  -0.486
   45    HA   LEU   6           HA       LEU   6  -0.073   1.987  -1.582
   46    HB2  LEU   6           HB2      LEU   6  -1.881   3.479  -0.840
   47    HB3  LEU   6           HB3      LEU   6  -1.525   3.056   0.834
   48    HG   LEU   6           HG       LEU   6   0.800   4.022   0.405
   49   HD11  LEU   6          HD11      LEU   6  -0.292   4.284  -2.196
   50   HD12  LEU   6          HD12      LEU   6  -0.038   5.905  -1.549
   51   HD13  LEU   6          HD13      LEU   6   1.304   4.763  -1.620
   52   HD21  LEU   6          HD21      LEU   6   0.030   6.300   0.833
   53   HD22  LEU   6          HD22      LEU   6  -1.599   5.850   0.330
   54   HD23  LEU   6          HD23      LEU   6  -0.891   5.127   1.774
   55    H    GLY   7           H        GLY   7  -0.846   0.936   1.731
   56    HA2  GLY   7           HA2      GLY   7   1.649   1.306   2.889
   57    HA3  GLY   7           HA3      GLY   7   0.493   0.079   3.386
   58    H    LEU   8           H        LEU   8   0.481  -1.409   0.958
   59    HA   LEU   8           HA       LEU   8   2.513  -3.233   1.422
   60    HB2  LEU   8           HB2      LEU   8   0.429  -3.626   0.114
   61    HB3  LEU   8           HB3      LEU   8   1.159  -2.739  -1.224
   62    HG   LEU   8           HG       LEU   8   2.980  -4.477  -1.243
   63   HD11  LEU   8          HD11      LEU   8   2.266  -6.681  -0.214
   64   HD12  LEU   8          HD12      LEU   8   2.850  -5.442   0.898
   65   HD13  LEU   8          HD13      LEU   8   1.119  -5.747   0.745
   66   HD21  LEU   8          HD21      LEU   8   0.590  -4.414  -2.506
   67   HD22  LEU   8          HD22      LEU   8   1.841  -5.618  -2.813
   68   HD23  LEU   8          HD23      LEU   8   0.506  -5.993  -1.725
   69    H    LEU   9           H        LEU   9   2.356  -0.745  -1.123
   70    HA   LEU   9           HA       LEU   9   4.809  -1.239  -2.321
   71    HB2  LEU   9           HB2      LEU   9   3.100   1.191  -2.034
   72    HB3  LEU   9           HB3      LEU   9   4.703   1.339  -2.754
   73    HG   LEU   9           HG       LEU   9   2.993   1.155  -4.469
   74   HD11  LEU   9          HD11      LEU   9   4.424  -1.476  -4.461
   75   HD12  LEU   9          HD12      LEU   9   4.075  -0.400  -5.814
   76   HD13  LEU   9          HD13      LEU   9   5.308   0.041  -4.632
   77   HD21  LEU   9          HD21      LEU   9   1.682  -0.894  -4.723
   78   HD22  LEU   9          HD22      LEU   9   2.353  -1.513  -3.214
   79   HD23  LEU   9          HD23      LEU   9   1.320  -0.083  -3.199
   80    H    LYS  10           H        LYS  10   4.043   0.695   0.527
   81    HA   LYS  10           HA       LYS  10   6.623   1.808   0.870
   82    HB2  LYS  10           HB2      LYS  10   4.419   1.316   2.880
   83    HB3  LYS  10           HB3      LYS  10   5.854   2.286   3.187
   84    HG2  LYS  10           HG2      LYS  10   5.166   3.766   1.300
   85    HG3  LYS  10           HG3      LYS  10   3.657   2.855   1.212
   86    HD2  LYS  10           HD2      LYS  10   3.094   4.667   2.553
   87    HD3  LYS  10           HD3      LYS  10   3.450   3.402   3.730
   88    HE2  LYS  10           HE2      LYS  10   4.563   5.291   4.549
   89    HE3  LYS  10           HE3      LYS  10   5.824   4.349   3.758
   90    HZ1  LYS  10          1HZ       LYS  10   6.055   6.634   3.145
   91    HZ2  LYS  10          2HZ       LYS  10   5.527   5.777   1.784
   92    HZ3  LYS  10          3HZ       LYS  10   4.437   6.731   2.659
   93    H    GLY  11           H        GLY  11   5.024  -1.012   2.341
   94    HA2  GLY  11           HA2      GLY  11   7.215  -1.769   3.963
   95    HA3  GLY  11           HA3      GLY  11   5.878  -2.807   3.491
   96    H    LEU  12           H        LEU  12   6.339  -2.552   0.648
   97    HA   LEU  12           HA       LEU  12   7.423  -3.684  -1.001
   98    HB2  LEU  12           HB2      LEU  12   9.119  -1.912  -0.312
   99    HB3  LEU  12           HB3      LEU  12   9.944  -3.201   0.562
  100    HG   LEU  12           HG       LEU  12   9.880  -4.381  -1.796
  101   HD11  LEU  12          HD11      LEU  12  10.335  -2.551  -3.524
  102   HD12  LEU  12          HD12      LEU  12   8.657  -2.865  -3.081
  103   HD13  LEU  12          HD13      LEU  12   9.499  -1.471  -2.408
  104   HD21  LEU  12          HD21      LEU  12  11.854  -2.157  -1.521
  105   HD22  LEU  12          HD22      LEU  12  11.825  -3.455  -0.328
  106   HD23  LEU  12          HD23      LEU  12  12.106  -3.828  -2.029
  107    HN1  NH2  13           HN1      NH2  13   6.296  -5.582   0.025
  108    HN2  NH2  13           HN2      NH2  13   7.231  -6.903   0.573
  Start of MODEL    3
    1    H1   ILE   1           H        ILE   1  -9.855  -1.855   0.049
    2    HA   ILE   1           HA       ILE   1 -10.174   0.954   0.885
    3    HB   ILE   1           HB       ILE   1 -10.112  -0.605   2.803
    4   HG12  ILE   1          HG12      ILE   1  -8.325   0.560   4.049
    5   HG13  ILE   1          HG13      ILE   1  -7.667   1.158   2.531
    6   HG21  ILE   1          HG21      ILE   1  -8.670  -2.303   1.694
    7   HG22  ILE   1          HG22      ILE   1  -7.295  -1.223   1.929
    8   HG23  ILE   1          HG23      ILE   1  -8.149  -1.880   3.325
    9   HD11  ILE   1          HD11      ILE   1  -9.412   2.634   2.209
   10   HD12  ILE   1          HD12      ILE   1 -10.494   1.748   3.283
   11   HD13  ILE   1          HD13      ILE   1  -9.166   2.694   3.955
   12    H    LEU   2           H        LEU   2  -8.619   2.373   0.324
   13    HA   LEU   2           HA       LEU   2  -6.606   1.499  -1.550
   14    HB2  LEU   2           HB2      LEU   2  -7.687   4.096  -0.612
   15    HB3  LEU   2           HB3      LEU   2  -6.051   4.088  -1.268
   16    HG   LEU   2           HG       LEU   2  -7.704   4.716  -2.954
   17   HD11  LEU   2          HD11      LEU   2  -6.528   3.699  -4.556
   18   HD12  LEU   2          HD12      LEU   2  -5.644   2.934  -3.236
   19   HD13  LEU   2          HD13      LEU   2  -6.990   2.090  -4.002
   20   HD21  LEU   2          HD21      LEU   2  -9.449   3.118  -1.821
   21   HD22  LEU   2          HD22      LEU   2  -9.522   3.449  -3.552
   22   HD23  LEU   2          HD23      LEU   2  -8.804   1.946  -2.971
   23    H    GLY   3           H        GLY   3  -6.734   2.703   1.752
   24    HA2  GLY   3           HA2      GLY   3  -4.075   3.299   2.219
   25    HA3  GLY   3           HA3      GLY   3  -5.167   2.646   3.432
   26    H    THR   4           H        THR   4  -5.630   0.138   2.782
   27    HA   THR   4           HA       THR   4  -3.369  -1.263   3.553
   28    HB   THR   4           HB       THR   4  -5.657  -2.395   1.934
   29    HG1  THR   4           HG1      THR   4  -5.442  -2.309   4.766
   30   HG21  THR   4          HG21      THR   4  -3.503  -3.591   3.638
   31   HG22  THR   4          HG22      THR   4  -5.059  -4.405   3.469
   32   HG23  THR   4          HG23      THR   4  -4.070  -4.087   2.044
   33    H    ILE   5           H        ILE   5  -4.740  -0.965   0.279
   34    HA   ILE   5           HA       ILE   5  -2.885  -2.502  -1.090
   35    HB   ILE   5           HB       ILE   5  -4.257  -0.001  -2.084
   36   HG12  ILE   5          HG12      ILE   5  -5.108  -2.867  -2.492
   37   HG13  ILE   5          HG13      ILE   5  -5.705  -1.884  -1.159
   38   HG21  ILE   5          HG21      ILE   5  -3.966  -1.122  -4.319
   39   HG22  ILE   5          HG22      ILE   5  -2.486  -0.517  -3.576
   40   HG23  ILE   5          HG23      ILE   5  -2.858  -2.241  -3.525
   41   HD11  ILE   5          HD11      ILE   5  -6.905  -0.493  -2.557
   42   HD12  ILE   5          HD12      ILE   5  -5.941  -0.913  -3.972
   43   HD13  ILE   5          HD13      ILE   5  -7.098  -2.072  -3.318
   44    H    LEU   6           H        LEU   6  -2.765   0.964  -0.326
   45    HA   LEU   6           HA       LEU   6  -0.306   1.463  -1.631
   46    HB2  LEU   6           HB2      LEU   6  -2.132   3.093  -0.758
   47    HB3  LEU   6           HB3      LEU   6  -1.226   3.021   0.751
   48    HG   LEU   6           HG       LEU   6   0.800   3.709  -0.705
   49   HD11  LEU   6          HD11      LEU   6  -1.483   4.052  -2.562
   50   HD12  LEU   6          HD12      LEU   6  -0.255   5.318  -2.538
   51   HD13  LEU   6          HD13      LEU   6   0.202   3.652  -2.893
   52   HD21  LEU   6          HD21      LEU   6   0.535   5.677   0.300
   53   HD22  LEU   6          HD22      LEU   6  -0.899   6.050  -0.656
   54   HD23  LEU   6          HD23      LEU   6  -1.048   5.104   0.824
   55    H    GLY   7           H        GLY   7  -1.139   0.500   1.658
   56    HA2  GLY   7           HA2      GLY   7   1.279   0.889   2.946
   57    HA3  GLY   7           HA3      GLY   7   0.151  -0.404   3.329
   58    H    LEU   8           H        LEU   8   0.280  -1.884   0.972
   59    HA   LEU   8           HA       LEU   8   2.429  -3.564   1.430
   60    HB2  LEU   8           HB2      LEU   8   0.430  -4.187   0.159
   61    HB3  LEU   8           HB3      LEU   8   0.946  -3.140  -1.161
   62    HG   LEU   8           HG       LEU   8   3.035  -4.642  -1.255
   63   HD11  LEU   8          HD11      LEU   8   3.120  -6.102   0.446
   64   HD12  LEU   8          HD12      LEU   8   1.383  -6.019   0.742
   65   HD13  LEU   8          HD13      LEU   8   2.010  -7.049  -0.545
   66   HD21  LEU   8          HD21      LEU   8   1.917  -6.191  -2.746
   67   HD22  LEU   8          HD22      LEU   8   0.354  -5.781  -2.040
   68   HD23  LEU   8          HD23      LEU   8   1.255  -4.570  -2.954
   69    H    LEU   9           H        LEU   9   2.116  -1.033  -1.049
   70    HA   LEU   9           HA       LEU   9   4.684  -1.409  -2.164
   71    HB2  LEU   9           HB2      LEU   9   2.568  -0.078  -2.990
   72    HB3  LEU   9           HB3      LEU   9   3.374   1.265  -2.185
   73    HG   LEU   9           HG       LEU   9   3.869   1.289  -4.550
   74   HD11  LEU   9          HD11      LEU   9   5.616   1.892  -2.822
   75   HD12  LEU   9          HD12      LEU   9   6.337   0.314  -3.138
   76   HD13  LEU   9          HD13      LEU   9   6.213   1.504  -4.435
   77   HD21  LEU   9          HD21      LEU   9   3.832  -1.475  -4.340
   78   HD22  LEU   9          HD22      LEU   9   4.264  -0.533  -5.766
   79   HD23  LEU   9          HD23      LEU   9   5.522  -1.087  -4.662
   80    H    LYS  10           H        LYS  10   3.461   0.802   0.319
   81    HA   LYS  10           HA       LYS  10   5.768   2.312   0.715
   82    HB2  LYS  10           HB2      LYS  10   3.349   2.499   1.732
   83    HB3  LYS  10           HB3      LYS  10   4.045   1.554   3.041
   84    HG2  LYS  10           HG2      LYS  10   5.478   3.993   2.118
   85    HG3  LYS  10           HG3      LYS  10   4.033   4.173   3.116
   86    HD2  LYS  10           HD2      LYS  10   5.003   2.894   4.882
   87    HD3  LYS  10           HD3      LYS  10   6.364   2.415   3.865
   88    HE2  LYS  10           HE2      LYS  10   5.788   5.291   4.524
   89    HE3  LYS  10           HE3      LYS  10   6.771   4.269   5.571
   90    HZ1  LYS  10          1HZ       LYS  10   7.402   5.420   2.985
   91    HZ2  LYS  10          2HZ       LYS  10   8.422   5.035   4.279
   92    HZ3  LYS  10          3HZ       LYS  10   7.918   3.824   3.209
   93    H    GLY  11           H        GLY  11   4.768  -0.745   2.220
   94    HA2  GLY  11           HA2      GLY  11   7.093  -0.915   3.886
   95    HA3  GLY  11           HA3      GLY  11   5.921  -2.193   3.599
   96    H    LEU  12           H        LEU  12   6.149  -2.346   0.790
   97    HA   LEU  12           HA       LEU  12   7.327  -3.476  -0.792
   98    HB2  LEU  12           HB2      LEU  12   8.694  -1.294  -0.406
   99    HB3  LEU  12           HB3      LEU  12   9.863  -2.376   0.348
  100    HG   LEU  12           HG       LEU  12   9.786  -3.676  -1.868
  101   HD11  LEU  12          HD11      LEU  12   9.334  -1.593  -3.610
  102   HD12  LEU  12          HD12      LEU  12   8.257  -2.959  -3.321
  103   HD13  LEU  12          HD13      LEU  12   8.016  -1.445  -2.448
  104   HD21  LEU  12          HD21      LEU  12  10.946  -0.903  -2.008
  105   HD22  LEU  12          HD22      LEU  12  11.627  -2.177  -0.997
  106   HD23  LEU  12          HD23      LEU  12  11.558  -2.382  -2.747
  107    HN1  NH2  13           HN1      NH2  13   6.687  -5.339   0.685
  108    HN2  NH2  13           HN2      NH2  13   7.921  -6.355   1.285
  Start of MODEL    4
    1    H1   ILE   1           H        ILE   1  -9.173   1.006   2.394
    2    HA   ILE   1           HA       ILE   1  -8.306  -1.522   1.151
    3    HB   ILE   1           HB       ILE   1 -10.657  -1.166   0.662
    4   HG12  ILE   1          HG12      ILE   1  -9.259  -0.366  -1.868
    5   HG13  ILE   1          HG13      ILE   1  -8.887  -1.914  -1.116
    6   HG21  ILE   1          HG21      ILE   1 -10.590   1.309   0.996
    7   HG22  ILE   1          HG22      ILE   1  -9.878   1.450  -0.612
    8   HG23  ILE   1          HG23      ILE   1 -11.502   0.788  -0.421
    9   HD11  ILE   1          HD11      ILE   1 -11.541  -2.093  -1.131
   10   HD12  ILE   1          HD12      ILE   1 -11.326  -1.017  -2.512
   11   HD13  ILE   1          HD13      ILE   1 -10.538  -2.595  -2.492
   12    H    LEU   2           H        LEU   2  -8.259   1.993   1.034
   13    HA   LEU   2           HA       LEU   2  -6.475   2.105  -1.218
   14    HB2  LEU   2           HB2      LEU   2  -7.717   4.067   0.636
   15    HB3  LEU   2           HB3      LEU   2  -6.272   4.560  -0.244
   16    HG   LEU   2           HG       LEU   2  -8.708   3.476  -1.636
   17   HD11  LEU   2          HD11      LEU   2  -9.101   5.562  -0.172
   18   HD12  LEU   2          HD12      LEU   2  -8.120   6.399  -1.376
   19   HD13  LEU   2          HD13      LEU   2  -9.616   5.598  -1.858
   20   HD21  LEU   2          HD21      LEU   2  -6.727   3.441  -2.977
   21   HD22  LEU   2          HD22      LEU   2  -7.732   4.784  -3.522
   22   HD23  LEU   2          HD23      LEU   2  -6.320   5.092  -2.511
   23    H    GLY   3           H        GLY   3  -6.186   2.437   2.293
   24    HA2  GLY   3           HA2      GLY   3  -3.359   3.002   2.166
   25    HA3  GLY   3           HA3      GLY   3  -4.308   2.737   3.621
   26    H    THR   4           H        THR   4  -5.374   0.191   2.835
   27    HA   THR   4           HA       THR   4  -3.514  -1.538   3.916
   28    HB   THR   4           HB       THR   4  -4.855  -3.364   2.673
   29    HG1  THR   4           HG1      THR   4  -6.121  -2.586   1.172
   30   HG21  THR   4          HG21      THR   4  -5.412  -3.100   4.908
   31   HG22  THR   4          HG22      THR   4  -5.926  -1.427   4.689
   32   HG23  THR   4          HG23      THR   4  -6.942  -2.745   4.106
   33    H    ILE   5           H        ILE   5  -4.031  -0.677   0.538
   34    HA   ILE   5           HA       ILE   5  -2.068  -2.576  -0.408
   35    HB   ILE   5           HB       ILE   5  -3.455  -0.345  -1.900
   36   HG12  ILE   5          HG12      ILE   5  -5.060  -1.971  -1.052
   37   HG13  ILE   5          HG13      ILE   5  -4.888  -2.152  -2.795
   38   HG21  ILE   5          HG21      ILE   5  -1.684  -0.809  -3.268
   39   HG22  ILE   5          HG22      ILE   5  -1.539  -2.474  -2.701
   40   HG23  ILE   5          HG23      ILE   5  -2.825  -2.033  -3.825
   41   HD11  ILE   5          HD11      ILE   5  -3.930  -3.947  -0.611
   42   HD12  ILE   5          HD12      ILE   5  -4.907  -4.330  -2.028
   43   HD13  ILE   5          HD13      ILE   5  -3.186  -3.991  -2.210
   44    H    LEU   6           H        LEU   6  -2.319   0.955  -0.112
   45    HA   LEU   6           HA       LEU   6   0.095   1.693  -1.230
   46    HB2  LEU   6           HB2      LEU   6  -1.399   3.405  -0.655
   47    HB3  LEU   6           HB3      LEU   6  -1.519   2.855   1.015
   48    HG   LEU   6           HG       LEU   6   0.828   3.606   1.367
   49   HD11  LEU   6          HD11      LEU   6   2.077   4.651  -0.227
   50   HD12  LEU   6          HD12      LEU   6   1.167   3.540  -1.251
   51   HD13  LEU   6          HD13      LEU   6   0.667   5.227  -1.117
   52   HD21  LEU   6          HD21      LEU   6  -0.279   5.335   2.220
   53   HD22  LEU   6          HD22      LEU   6  -0.062   6.152   0.672
   54   HD23  LEU   6          HD23      LEU   6  -1.531   5.224   0.981
   55    H    GLY   7           H        GLY   7  -0.570   0.491   2.020
   56    HA2  GLY   7           HA2      GLY   7   1.872   1.006   3.240
   57    HA3  GLY   7           HA3      GLY   7   0.830  -0.355   3.630
   58    H    LEU   8           H        LEU   8   0.939  -1.793   1.267
   59    HA   LEU   8           HA       LEU   8   3.344  -3.220   1.588
   60    HB2  LEU   8           HB2      LEU   8   1.064  -3.290  -0.309
   61    HB3  LEU   8           HB3      LEU   8   2.546  -4.118  -0.783
   62    HG   LEU   8           HG       LEU   8   0.835  -5.586   0.275
   63   HD11  LEU   8          HD11      LEU   8   2.447  -6.631   1.898
   64   HD12  LEU   8          HD12      LEU   8   3.076  -6.354   0.273
   65   HD13  LEU   8          HD13      LEU   8   3.522  -5.268   1.589
   66   HD21  LEU   8          HD21      LEU   8   1.526  -4.076   2.793
   67   HD22  LEU   8          HD22      LEU   8   0.015  -3.903   1.902
   68   HD23  LEU   8          HD23      LEU   8   0.429  -5.449   2.642
   69    H    LEU   9           H        LEU   9   2.286  -0.915  -0.889
   70    HA   LEU   9           HA       LEU   9   4.497  -1.111  -2.583
   71    HB2  LEU   9           HB2      LEU   9   2.425   0.949  -2.048
   72    HB3  LEU   9           HB3      LEU   9   3.843   1.428  -2.979
   73    HG   LEU   9           HG       LEU   9   2.004   0.842  -4.450
   74   HD11  LEU   9          HD11      LEU   9   3.559  -1.512  -5.035
   75   HD12  LEU   9          HD12      LEU   9   3.457   0.016  -5.910
   76   HD13  LEU   9          HD13      LEU   9   4.600  -0.163  -4.578
   77   HD21  LEU   9          HD21      LEU   9   0.994  -1.306  -4.500
   78   HD22  LEU   9          HD22      LEU   9   2.142  -1.947  -3.324
   79   HD23  LEU   9          HD23      LEU   9   0.941  -0.756  -2.827
   80    H    LYS  10           H        LYS  10   3.884   1.273  -0.003
   81    HA   LYS  10           HA       LYS  10   6.377   2.547  -0.160
   82    HB2  LYS  10           HB2      LYS  10   4.122   3.081   1.174
   83    HB3  LYS  10           HB3      LYS  10   5.036   2.350   2.487
   84    HG2  LYS  10           HG2      LYS  10   6.883   4.051   1.529
   85    HG3  LYS  10           HG3      LYS  10   5.408   4.933   1.124
   86    HD2  LYS  10           HD2      LYS  10   5.881   5.703   3.256
   87    HD3  LYS  10           HD3      LYS  10   4.724   4.408   3.571
   88    HE2  LYS  10           HE2      LYS  10   7.584   3.656   3.501
   89    HE3  LYS  10           HE3      LYS  10   7.059   4.641   4.865
   90    HZ1  LYS  10          1HZ       LYS  10   6.357   2.763   5.783
   91    HZ2  LYS  10          2HZ       LYS  10   5.143   2.693   4.605
   92    HZ3  LYS  10          3HZ       LYS  10   6.605   1.878   4.362
   93    H    GLY  11           H        GLY  11   5.276  -0.193   1.793
   94    HA2  GLY  11           HA2      GLY  11   7.579  -0.476   3.378
   95    HA3  GLY  11           HA3      GLY  11   6.437  -1.759   3.004
   96    H    LEU  12           H        LEU  12   6.809  -1.730   0.171
   97    HA   LEU  12           HA       LEU  12   9.107  -3.413   0.008
   98    HB2  LEU  12           HB2      LEU  12   7.095  -3.821  -1.314
   99    HB3  LEU  12           HB3      LEU  12   7.339  -2.299  -2.167
  100    HG   LEU  12           HG       LEU  12   9.601  -3.360  -2.884
  101   HD11  LEU  12          HD11      LEU  12   9.808  -5.314  -1.694
  102   HD12  LEU  12          HD12      LEU  12   8.085  -5.680  -1.784
  103   HD13  LEU  12          HD13      LEU  12   9.109  -5.904  -3.202
  104   HD21  LEU  12          HD21      LEU  12   6.864  -3.725  -3.927
  105   HD22  LEU  12          HD22      LEU  12   8.288  -3.012  -4.687
  106   HD23  LEU  12          HD23      LEU  12   8.107  -4.765  -4.621
  107    HN1  NH2  13           HN1      NH2  13   8.285  -0.295  -1.514
  108    HN2  NH2  13           HN2      NH2  13   9.879   0.238  -1.814
  Start of MODEL    5
    1    H1   ILE   1           H        ILE   1  -9.247   0.898   3.101
    2    HA   ILE   1           HA       ILE   1  -8.492  -1.691   1.962
    3    HB   ILE   1           HB       ILE   1 -10.275   0.466   0.823
    4   HG12  ILE   1          HG12      ILE   1 -11.105  -2.233   1.882
    5   HG13  ILE   1          HG13      ILE   1 -11.060  -0.799   2.903
    6   HG21  ILE   1          HG21      ILE   1  -9.610  -2.307  -0.144
    7   HG22  ILE   1          HG22      ILE   1 -10.958  -1.349  -0.756
    8   HG23  ILE   1          HG23      ILE   1  -9.303  -0.778  -0.967
    9   HD11  ILE   1          HD11      ILE   1 -12.492  -0.048   0.630
   10   HD12  ILE   1          HD12      ILE   1 -13.072  -1.660   1.052
   11   HD13  ILE   1          HD13      ILE   1 -13.123  -0.364   2.246
   12    H    LEU   2           H        LEU   2  -8.307   1.775   1.160
   13    HA   LEU   2           HA       LEU   2  -6.518   1.344  -1.032
   14    HB2  LEU   2           HB2      LEU   2  -8.173   3.303  -0.567
   15    HB3  LEU   2           HB3      LEU   2  -6.829   3.976   0.352
   16    HG   LEU   2           HG       LEU   2  -6.380   3.139  -2.479
   17   HD11  LEU   2          HD11      LEU   2  -8.482   4.770  -1.946
   18   HD12  LEU   2          HD12      LEU   2  -7.169   5.938  -2.099
   19   HD13  LEU   2          HD13      LEU   2  -7.519   4.824  -3.422
   20   HD21  LEU   2          HD21      LEU   2  -5.309   5.639  -1.343
   21   HD22  LEU   2          HD22      LEU   2  -4.744   4.147  -0.589
   22   HD23  LEU   2          HD23      LEU   2  -4.518   4.402  -2.321
   23    H    GLY   3           H        GLY   3  -6.180   2.255   2.352
   24    HA2  GLY   3           HA2      GLY   3  -3.454   3.001   2.252
   25    HA3  GLY   3           HA3      GLY   3  -4.332   2.506   3.692
   26    H    THR   4           H        THR   4  -5.046  -0.105   2.659
   27    HA   THR   4           HA       THR   4  -2.795  -1.561   3.536
   28    HB   THR   4           HB       THR   4  -4.022  -3.558   2.985
   29    HG1  THR   4           HG1      THR   4  -6.104  -3.225   1.828
   30   HG21  THR   4          HG21      THR   4  -5.951  -1.419   3.898
   31   HG22  THR   4          HG22      THR   4  -6.120  -3.155   4.159
   32   HG23  THR   4          HG23      THR   4  -4.806  -2.271   4.933
   33    H    ILE   5           H        ILE   5  -4.055  -0.826   0.322
   34    HA   ILE   5           HA       ILE   5  -2.126  -2.471  -1.032
   35    HB   ILE   5           HB       ILE   5  -3.881  -0.288  -2.164
   36   HG12  ILE   5          HG12      ILE   5  -5.201  -2.047  -1.074
   37   HG13  ILE   5          HG13      ILE   5  -5.391  -2.109  -2.823
   38   HG21  ILE   5          HG21      ILE   5  -2.097  -0.758  -3.673
   39   HG22  ILE   5          HG22      ILE   5  -2.298  -2.498  -3.460
   40   HG23  ILE   5          HG23      ILE   5  -3.539  -1.562  -4.292
   41   HD11  ILE   5          HD11      ILE   5  -3.246  -3.806  -2.200
   42   HD12  ILE   5          HD12      ILE   5  -4.517  -4.144  -1.025
   43   HD13  ILE   5          HD13      ILE   5  -4.860  -4.250  -2.752
   44    H    LEU   6           H        LEU   6  -2.478   0.964  -0.299
   45    HA   LEU   6           HA       LEU   6  -0.278   1.856  -1.836
   46    HB2  LEU   6           HB2      LEU   6  -2.246   3.142  -0.660
   47    HB3  LEU   6           HB3      LEU   6  -1.094   3.253   0.668
   48    HG   LEU   6           HG       LEU   6  -0.550   4.250  -2.126
   49   HD11  LEU   6          HD11      LEU   6  -1.978   5.465   0.141
   50   HD12  LEU   6          HD12      LEU   6  -0.737   6.471  -0.607
   51   HD13  LEU   6          HD13      LEU   6  -2.058   5.827  -1.583
   52   HD21  LEU   6          HD21      LEU   6   1.529   3.990  -1.199
   53   HD22  LEU   6          HD22      LEU   6   1.132   5.613  -0.634
   54   HD23  LEU   6          HD23      LEU   6   0.947   4.234   0.448
   55    H    GLY   7           H        GLY   7  -0.602   0.908   1.566
   56    HA2  GLY   7           HA2      GLY   7   1.967   1.573   2.432
   57    HA3  GLY   7           HA3      GLY   7   0.971   0.301   3.122
   58    H    LEU   8           H        LEU   8   0.826  -1.287   0.725
   59    HA   LEU   8           HA       LEU   8   2.976  -2.986   1.079
   60    HB2  LEU   8           HB2      LEU   8   0.863  -3.554  -0.071
   61    HB3  LEU   8           HB3      LEU   8   1.392  -2.604  -1.457
   62    HG   LEU   8           HG       LEU   8   3.443  -4.263  -1.379
   63   HD11  LEU   8          HD11      LEU   8   1.591  -6.375  -0.689
   64   HD12  LEU   8          HD12      LEU   8   3.243  -6.097  -0.139
   65   HD13  LEU   8          HD13      LEU   8   1.897  -5.301   0.675
   66   HD21  LEU   8          HD21      LEU   8   2.461  -4.515  -3.368
   67   HD22  LEU   8          HD22      LEU   8   1.604  -5.873  -2.638
   68   HD23  LEU   8          HD23      LEU   8   0.846  -4.282  -2.699
   69    H    LEU   9           H        LEU   9   2.574  -0.409  -1.323
   70    HA   LEU   9           HA       LEU   9   4.962  -0.851  -2.728
   71    HB2  LEU   9           HB2      LEU   9   3.165   1.508  -2.356
   72    HB3  LEU   9           HB3      LEU   9   4.699   1.695  -3.204
   73    HG   LEU   9           HG       LEU   9   3.857  -0.222  -4.707
   74   HD11  LEU   9          HD11      LEU   9   1.469  -0.461  -4.880
   75   HD12  LEU   9          HD12      LEU   9   1.970  -0.836  -3.230
   76   HD13  LEU   9          HD13      LEU   9   1.219   0.718  -3.593
   77   HD21  LEU   9          HD21      LEU   9   3.960   2.386  -5.074
   78   HD22  LEU   9          HD22      LEU   9   3.162   1.329  -6.238
   79   HD23  LEU   9          HD23      LEU   9   2.205   2.227  -5.060
   80    H    LYS  10           H        LYS  10   4.246   1.359  -0.037
   81    HA   LYS  10           HA       LYS  10   6.748   2.542   0.204
   82    HB2  LYS  10           HB2      LYS  10   4.471   2.956   1.462
   83    HB3  LYS  10           HB3      LYS  10   5.177   1.879   2.661
   84    HG2  LYS  10           HG2      LYS  10   7.166   3.403   2.720
   85    HG3  LYS  10           HG3      LYS  10   6.248   4.524   1.712
   86    HD2  LYS  10           HD2      LYS  10   4.537   4.709   3.413
   87    HD3  LYS  10           HD3      LYS  10   5.350   3.494   4.402
   88    HE2  LYS  10           HE2      LYS  10   7.129   4.927   4.904
   89    HE3  LYS  10           HE3      LYS  10   6.746   6.014   3.570
   90    HZ1  LYS  10          1HZ       LYS  10   4.504   6.061   5.105
   91    HZ2  LYS  10          2HZ       LYS  10   5.744   6.000   6.254
   92    HZ3  LYS  10          3HZ       LYS  10   5.721   7.237   5.101
   93    H    GLY  11           H        GLY  11   5.496  -0.301   1.962
   94    HA2  GLY  11           HA2      GLY  11   7.833  -0.894   3.375
   95    HA3  GLY  11           HA3      GLY  11   6.586  -2.059   2.956
   96    H    LEU  12           H        LEU  12   6.689  -2.392   0.345
   97    HA   LEU  12           HA       LEU  12   9.449  -3.293  -0.137
   98    HB2  LEU  12           HB2      LEU  12   6.853  -4.317  -1.277
   99    HB3  LEU  12           HB3      LEU  12   8.455  -4.933  -1.678
  100    HG   LEU  12           HG       LEU  12   7.179  -5.064   1.054
  101   HD11  LEU  12          HD11      LEU  12   7.374  -7.608   0.336
  102   HD12  LEU  12          HD12      LEU  12   5.951  -6.635  -0.038
  103   HD13  LEU  12          HD13      LEU  12   7.183  -6.906  -1.270
  104   HD21  LEU  12          HD21      LEU  12   9.660  -6.432   0.025
  105   HD22  LEU  12          HD22      LEU  12   9.675  -4.951   0.983
  106   HD23  LEU  12          HD23      LEU  12   9.030  -6.441   1.673
  107    HN1  NH2  13           HN1      NH2  13  10.024  -1.186  -0.950
  108    HN2  NH2  13           HN2      NH2  13   9.625  -0.690  -2.535
  Start of MODEL    6
    1    H1   ILE   1           H        ILE   1  -8.992  -2.192  -1.688
    2    HA   ILE   1           HA       ILE   1  -9.995  -0.055  -0.101
    3    HB   ILE   1           HB       ILE   1  -9.972  -1.811   1.630
    4   HG12  ILE   1          HG12      ILE   1  -7.701   0.049   2.260
    5   HG13  ILE   1          HG13      ILE   1  -9.315   0.692   1.978
    6   HG21  ILE   1          HG21      ILE   1  -7.996  -2.908   2.327
    7   HG22  ILE   1          HG22      ILE   1  -8.055  -3.067   0.572
    8   HG23  ILE   1          HG23      ILE   1  -6.982  -1.880   1.313
    9   HD11  ILE   1          HD11      ILE   1 -10.186  -0.651   3.800
   10   HD12  ILE   1          HD12      ILE   1  -8.589  -1.353   4.063
   11   HD13  ILE   1          HD13      ILE   1  -8.854   0.367   4.351
   12    H    LEU   2           H        LEU   2  -8.583   1.642  -0.033
   13    HA   LEU   2           HA       LEU   2  -6.240   1.433  -1.703
   14    HB2  LEU   2           HB2      LEU   2  -7.950   3.374  -1.548
   15    HB3  LEU   2           HB3      LEU   2  -7.007   3.871  -0.145
   16    HG   LEU   2           HG       LEU   2  -4.992   3.891  -1.698
   17   HD11  LEU   2          HD11      LEU   2  -6.041   2.559  -3.490
   18   HD12  LEU   2          HD12      LEU   2  -7.146   3.896  -3.805
   19   HD13  LEU   2          HD13      LEU   2  -5.414   4.104  -4.062
   20   HD21  LEU   2          HD21      LEU   2  -5.300   6.117  -2.075
   21   HD22  LEU   2          HD22      LEU   2  -6.954   5.907  -2.649
   22   HD23  LEU   2          HD23      LEU   2  -6.606   5.843  -0.922
   23    H    GLY   3           H        GLY   3  -6.963   1.874   1.711
   24    HA2  GLY   3           HA2      GLY   3  -4.502   2.663   2.692
   25    HA3  GLY   3           HA3      GLY   3  -5.632   1.642   3.569
   26    H    THR   4           H        THR   4  -5.636  -0.696   2.313
   27    HA   THR   4           HA       THR   4  -3.327  -1.975   3.165
   28    HB   THR   4           HB       THR   4  -5.234  -2.920   1.015
   29    HG1  THR   4           HG1      THR   4  -5.333  -2.861   3.815
   30   HG21  THR   4          HG21      THR   4  -4.484  -5.190   1.911
   31   HG22  THR   4          HG22      THR   4  -3.336  -4.314   0.899
   32   HG23  THR   4          HG23      THR   4  -3.136  -4.326   2.650
   33    H    ILE   5           H        ILE   5  -4.248  -1.118  -0.169
   34    HA   ILE   5           HA       ILE   5  -1.957  -2.064  -1.443
   35    HB   ILE   5           HB       ILE   5  -3.621   0.326  -2.242
   36   HG12  ILE   5          HG12      ILE   5  -5.011  -1.654  -1.951
   37   HG13  ILE   5          HG13      ILE   5  -4.842  -1.290  -3.663
   38   HG21  ILE   5          HG21      ILE   5  -2.807  -0.679  -4.562
   39   HG22  ILE   5          HG22      ILE   5  -1.861   0.513  -3.669
   40   HG23  ILE   5          HG23      ILE   5  -1.449  -1.199  -3.562
   41   HD11  ILE   5          HD11      ILE   5  -4.183  -3.683  -2.236
   42   HD12  ILE   5          HD12      ILE   5  -4.225  -3.387  -3.975
   43   HD13  ILE   5          HD13      ILE   5  -2.758  -3.047  -3.058
   44    H    LEU   6           H        LEU   6  -2.667   1.272  -0.395
   45    HA   LEU   6           HA       LEU   6  -0.268   2.451  -1.081
   46    HB2  LEU   6           HB2      LEU   6  -2.205   3.697  -0.293
   47    HB3  LEU   6           HB3      LEU   6  -1.998   3.021   1.322
   48    HG   LEU   6           HG       LEU   6   0.066   4.249   1.612
   49   HD11  LEU   6          HD11      LEU   6  -0.404   5.238  -1.196
   50   HD12  LEU   6          HD12      LEU   6   0.821   5.859  -0.089
   51   HD13  LEU   6          HD13      LEU   6   0.907   4.190  -0.655
   52   HD21  LEU   6          HD21      LEU   6  -1.152   6.614   0.846
   53   HD22  LEU   6          HD22      LEU   6  -2.497   5.502   1.100
   54   HD23  LEU   6          HD23      LEU   6  -1.335   5.791   2.395
   55    H    GLY   7           H        GLY   7  -1.115   0.959   2.045
   56    HA2  GLY   7           HA2      GLY   7   1.328   1.350   3.328
   57    HA3  GLY   7           HA3      GLY   7   0.204   0.047   3.686
   58    H    LEU   8           H        LEU   8   0.307  -1.280   1.193
   59    HA   LEU   8           HA       LEU   8   2.619  -2.874   1.582
   60    HB2  LEU   8           HB2      LEU   8   0.441  -3.676   0.679
   61    HB3  LEU   8           HB3      LEU   8   0.793  -2.810  -0.815
   62    HG   LEU   8           HG       LEU   8   2.924  -4.284  -0.881
   63   HD11  LEU   8          HD11      LEU   8   2.418  -6.552   0.137
   64   HD12  LEU   8          HD12      LEU   8   2.914  -5.277   1.251
   65   HD13  LEU   8          HD13      LEU   8   1.213  -5.725   1.124
   66   HD21  LEU   8          HD21      LEU   8   1.679  -4.934  -2.614
   67   HD22  LEU   8          HD22      LEU   8   1.113  -6.240  -1.573
   68   HD23  LEU   8          HD23      LEU   8   0.175  -4.753  -1.710
   69    H    LEU   9           H        LEU   9   1.689  -0.584  -0.975
   70    HA   LEU   9           HA       LEU   9   3.890  -0.840  -2.628
   71    HB2  LEU   9           HB2      LEU   9   1.989   1.362  -2.021
   72    HB3  LEU   9           HB3      LEU   9   3.429   1.747  -2.959
   73    HG   LEU   9           HG       LEU   9   1.403  -0.352  -3.727
   74   HD11  LEU   9          HD11      LEU   9   1.547   2.563  -4.241
   75   HD12  LEU   9          HD12      LEU   9   1.078   1.519  -5.582
   76   HD13  LEU   9          HD13      LEU   9   0.146   1.505  -4.085
   77   HD21  LEU   9          HD21      LEU   9   3.097  -1.014  -5.033
   78   HD22  LEU   9          HD22      LEU   9   2.742   0.434  -5.977
   79   HD23  LEU   9          HD23      LEU   9   4.015   0.467  -4.756
   80    H    LYS  10           H        LYS  10   3.470   1.530   0.004
   81    HA   LYS  10           HA       LYS  10   6.084   2.568  -0.138
   82    HB2  LYS  10           HB2      LYS  10   3.903   3.398   1.114
   83    HB3  LYS  10           HB3      LYS  10   4.613   2.520   2.461
   84    HG2  LYS  10           HG2      LYS  10   6.225   4.522   0.934
   85    HG3  LYS  10           HG3      LYS  10   5.105   5.036   2.198
   86    HD2  LYS  10           HD2      LYS  10   6.262   3.452   3.750
   87    HD3  LYS  10           HD3      LYS  10   7.459   3.171   2.483
   88    HE2  LYS  10           HE2      LYS  10   6.862   5.976   3.280
   89    HE3  LYS  10           HE3      LYS  10   7.834   4.984   4.366
   90    HZ1  LYS  10          1HZ       LYS  10   9.158   6.278   2.756
   91    HZ2  LYS  10          2HZ       LYS  10   9.416   4.611   2.630
   92    HZ3  LYS  10          3HZ       LYS  10   8.448   5.406   1.492
   93    H    GLY  11           H        GLY  11   4.665   0.015   1.877
   94    HA2  GLY  11           HA2      GLY  11   6.854  -0.502   3.521
   95    HA3  GLY  11           HA3      GLY  11   5.641  -1.688   3.064
   96    H    LEU  12           H        LEU  12   6.064  -1.923   0.360
   97    HA   LEU  12           HA       LEU  12   8.881  -2.731   0.130
   98    HB2  LEU  12           HB2      LEU  12   6.422  -4.369  -0.294
   99    HB3  LEU  12           HB3      LEU  12   7.862  -4.699  -1.255
  100    HG   LEU  12           HG       LEU  12   8.989  -4.774   1.149
  101   HD11  LEU  12          HD11      LEU  12   6.815  -4.183   2.243
  102   HD12  LEU  12          HD12      LEU  12   6.202  -5.754   1.726
  103   HD13  LEU  12          HD13      LEU  12   7.570  -5.663   2.837
  104   HD21  LEU  12          HD21      LEU  12   7.593  -6.831  -0.478
  105   HD22  LEU  12          HD22      LEU  12   9.304  -6.667  -0.084
  106   HD23  LEU  12          HD23      LEU  12   8.178  -7.294   1.120
  107    HN1  NH2  13           HN1      NH2  13   9.613  -1.349  -1.370
  108    HN2  NH2  13           HN2      NH2  13   8.937  -1.042  -2.908
  Start of MODEL    7
    1    H1   ILE   1           H        ILE   1 -10.961   0.775   0.288
    2    HA   ILE   1           HA       ILE   1  -9.098   0.977   2.453
    3    HB   ILE   1           HB       ILE   1  -8.639  -1.410   2.010
    4   HG12  ILE   1          HG12      ILE   1 -10.807  -1.543  -0.015
    5   HG13  ILE   1          HG13      ILE   1  -9.256  -0.915  -0.561
    6   HG21  ILE   1          HG21      ILE   1 -10.417  -1.856   3.264
    7   HG22  ILE   1          HG22      ILE   1 -11.015  -0.236   2.908
    8   HG23  ILE   1          HG23      ILE   1 -11.505  -1.598   1.900
    9   HD11  ILE   1          HD11      ILE   1 -10.057  -3.635   0.077
   10   HD12  ILE   1          HD12      ILE   1  -8.727  -3.044  -0.919
   11   HD13  ILE   1          HD13      ILE   1  -8.535  -3.158   0.830
   12    H    LEU   2           H        LEU   2  -8.352   2.692   0.357
   13    HA   LEU   2           HA       LEU   2  -6.403   1.641  -1.369
   14    HB2  LEU   2           HB2      LEU   2  -7.086   4.338  -0.331
   15    HB3  LEU   2           HB3      LEU   2  -5.515   4.127  -1.101
   16    HG   LEU   2           HG       LEU   2  -7.208   5.003  -2.647
   17   HD11  LEU   2          HD11      LEU   2  -5.966   3.997  -4.180
   18   HD12  LEU   2          HD12      LEU   2  -5.535   2.723  -3.039
   19   HD13  LEU   2          HD13      LEU   2  -6.981   2.562  -4.035
   20   HD21  LEU   2          HD21      LEU   2  -9.057   3.623  -1.453
   21   HD22  LEU   2          HD22      LEU   2  -9.169   3.909  -3.190
   22   HD23  LEU   2          HD23      LEU   2  -8.594   2.354  -2.587
   23    H    GLY   3           H        GLY   3  -6.181   2.918   1.920
   24    HA2  GLY   3           HA2      GLY   3  -3.437   3.072   2.223
   25    HA3  GLY   3           HA3      GLY   3  -4.552   2.665   3.518
   26    H    THR   4           H        THR   4  -5.504   0.219   2.394
   27    HA   THR   4           HA       THR   4  -3.758  -1.615   3.488
   28    HB   THR   4           HB       THR   4  -5.537  -2.349   1.175
   29    HG1  THR   4           HG1      THR   4  -6.319  -1.817   3.866
   30   HG21  THR   4          HG21      THR   4  -5.859  -4.400   2.462
   31   HG22  THR   4          HG22      THR   4  -4.144  -4.112   2.168
   32   HG23  THR   4          HG23      THR   4  -4.838  -3.763   3.751
   33    H    ILE   5           H        ILE   5  -3.976  -0.500   0.142
   34    HA   ILE   5           HA       ILE   5  -1.880  -2.279  -0.743
   35    HB   ILE   5           HB       ILE   5  -3.196   0.023  -2.190
   36   HG12  ILE   5          HG12      ILE   5  -4.169  -2.107  -3.437
   37   HG13  ILE   5          HG13      ILE   5  -3.857  -2.873  -1.883
   38   HG21  ILE   5          HG21      ILE   5  -0.921  -1.616  -2.832
   39   HG22  ILE   5          HG22      ILE   5  -2.211  -1.852  -4.011
   40   HG23  ILE   5          HG23      ILE   5  -1.587  -0.233  -3.700
   41   HD11  ILE   5          HD11      ILE   5  -5.188  -0.394  -1.442
   42   HD12  ILE   5          HD12      ILE   5  -6.074  -1.328  -2.647
   43   HD13  ILE   5          HD13      ILE   5  -5.725  -2.031  -1.068
   44    H    LEU   6           H        LEU   6  -2.242   1.181  -0.087
   45    HA   LEU   6           HA       LEU   6   0.225   2.087  -0.964
   46    HB2  LEU   6           HB2      LEU   6  -1.778   3.389  -0.032
   47    HB3  LEU   6           HB3      LEU   6  -1.065   3.096   1.552
   48    HG   LEU   6           HG       LEU   6   1.031   4.226   0.624
   49   HD11  LEU   6          HD11      LEU   6  -0.660   4.318  -1.690
   50   HD12  LEU   6          HD12      LEU   6  -0.246   5.954  -1.177
   51   HD13  LEU   6          HD13      LEU   6   1.032   4.787  -1.521
   52   HD21  LEU   6          HD21      LEU   6   0.144   6.456   1.102
   53   HD22  LEU   6          HD22      LEU   6  -1.499   5.829   0.975
   54   HD23  LEU   6          HD23      LEU   6  -0.437   5.265   2.265
   55    H    GLY   7           H        GLY   7  -0.644   0.561   2.102
   56    HA2  GLY   7           HA2      GLY   7   1.740   0.983   3.494
   57    HA3  GLY   7           HA3      GLY   7   0.650  -0.371   3.751
   58    H    LEU   8           H        LEU   8   0.815  -1.842   1.527
   59    HA   LEU   8           HA       LEU   8   3.228  -3.229   1.817
   60    HB2  LEU   8           HB2      LEU   8   0.957  -3.303  -0.090
   61    HB3  LEU   8           HB3      LEU   8   2.446  -4.115  -0.567
   62    HG   LEU   8           HG       LEU   8   2.305  -5.454   1.534
   63   HD11  LEU   8          HD11      LEU   8  -0.025  -3.702   1.918
   64   HD12  LEU   8          HD12      LEU   8  -0.290  -5.409   2.277
   65   HD13  LEU   8          HD13      LEU   8   0.992  -4.522   3.103
   66   HD21  LEU   8          HD21      LEU   8   0.106  -5.586  -0.511
   67   HD22  LEU   8          HD22      LEU   8   1.594  -6.529  -0.436
   68   HD23  LEU   8          HD23      LEU   8   0.312  -6.810   0.740
   69    H    LEU   9           H        LEU   9   2.234  -0.761  -0.488
   70    HA   LEU   9           HA       LEU   9   4.342  -0.969  -2.304
   71    HB2  LEU   9           HB2      LEU   9   2.199   0.454  -2.391
   72    HB3  LEU   9           HB3      LEU   9   3.137   1.658  -1.510
   73    HG   LEU   9           HG       LEU   9   4.801   1.560  -3.420
   74   HD11  LEU   9          HD11      LEU   9   2.521   0.063  -4.700
   75   HD12  LEU   9          HD12      LEU   9   3.877   0.771  -5.577
   76   HD13  LEU   9          HD13      LEU   9   4.158  -0.530  -4.419
   77   HD21  LEU   9          HD21      LEU   9   2.778   3.204  -2.995
   78   HD22  LEU   9          HD22      LEU   9   3.743   3.291  -4.469
   79   HD23  LEU   9          HD23      LEU   9   2.180   2.475  -4.487
   80    H    LYS  10           H        LYS  10   4.087   0.878   0.705
   81    HA   LYS  10           HA       LYS  10   6.685   2.055   0.452
   82    HB2  LYS  10           HB2      LYS  10   4.791   3.053   1.756
   83    HB3  LYS  10           HB3      LYS  10   4.997   1.772   2.944
   84    HG2  LYS  10           HG2      LYS  10   6.197   3.462   3.908
   85    HG3  LYS  10           HG3      LYS  10   7.465   2.631   3.005
   86    HD2  LYS  10           HD2      LYS  10   7.862   4.816   2.405
   87    HD3  LYS  10           HD3      LYS  10   6.781   4.307   1.106
   88    HE2  LYS  10           HE2      LYS  10   4.918   5.169   2.730
   89    HE3  LYS  10           HE3      LYS  10   6.243   6.085   3.445
   90    HZ1  LYS  10          1HZ       LYS  10   6.258   6.301   0.611
   91    HZ2  LYS  10          2HZ       LYS  10   4.763   6.785   1.239
   92    HZ3  LYS  10          3HZ       LYS  10   6.186   7.524   1.777
   93    H    GLY  11           H        GLY  11   5.331  -0.667   2.277
   94    HA2  GLY  11           HA2      GLY  11   7.572  -1.331   3.793
   95    HA3  GLY  11           HA3      GLY  11   6.344  -2.473   3.266
   96    H    LEU  12           H        LEU  12   6.614  -2.709   0.645
   97    HA   LEU  12           HA       LEU  12   9.083  -4.137   0.378
   98    HB2  LEU  12           HB2      LEU  12   7.090  -5.036  -0.614
   99    HB3  LEU  12           HB3      LEU  12   6.851  -3.570  -1.563
  100    HG   LEU  12           HG       LEU  12   9.113  -4.186  -2.655
  101   HD11  LEU  12          HD11      LEU  12   8.410  -7.001  -2.096
  102   HD12  LEU  12          HD12      LEU  12   9.981  -6.257  -2.395
  103   HD13  LEU  12          HD13      LEU  12   9.225  -6.114  -0.808
  104   HD21  LEU  12          HD21      LEU  12   6.902  -4.239  -3.756
  105   HD22  LEU  12          HD22      LEU  12   7.981  -5.512  -4.325
  106   HD23  LEU  12          HD23      LEU  12   6.687  -5.895  -3.191
  107    HN1  NH2  13           HN1      NH2  13   7.773  -1.112  -0.852
  108    HN2  NH2  13           HN2      NH2  13   9.185  -0.521  -1.608
  Start of MODEL    8
    1    H1   ILE   1           H        ILE   1  -9.549   1.200   3.067
    2    HA   ILE   1           HA       ILE   1  -8.660  -1.313   1.985
    3    HB   ILE   1           HB       ILE   1 -10.332   0.817   0.648
    4   HG12  ILE   1          HG12      ILE   1 -11.392   0.106   2.721
    5   HG13  ILE   1          HG13      ILE   1 -12.266  -0.564   1.347
    6   HG21  ILE   1          HG21      ILE   1  -9.972  -0.495  -1.130
    7   HG22  ILE   1          HG22      ILE   1  -9.377  -1.831  -0.145
    8   HG23  ILE   1          HG23      ILE   1 -11.111  -1.596  -0.355
    9   HD11  ILE   1          HD11      ILE   1 -10.612  -2.597   1.821
   10   HD12  ILE   1          HD12      ILE   1 -10.697  -1.918   3.446
   11   HD13  ILE   1          HD13      ILE   1 -12.174  -2.421   2.623
   12    H    LEU   2           H        LEU   2  -8.300   2.105   1.075
   13    HA   LEU   2           HA       LEU   2  -6.510   1.478  -1.092
   14    HB2  LEU   2           HB2      LEU   2  -7.645   3.957   0.103
   15    HB3  LEU   2           HB3      LEU   2  -6.189   4.090  -0.881
   16    HG   LEU   2           HG       LEU   2  -7.506   2.885  -2.702
   17   HD11  LEU   2          HD11      LEU   2  -9.552   3.171  -0.609
   18   HD12  LEU   2          HD12      LEU   2 -10.056   3.639  -2.233
   19   HD13  LEU   2          HD13      LEU   2  -9.434   2.016  -1.936
   20   HD21  LEU   2          HD21      LEU   2  -8.982   5.324  -2.524
   21   HD22  LEU   2          HD22      LEU   2  -7.336   5.597  -1.950
   22   HD23  LEU   2          HD23      LEU   2  -7.609   4.928  -3.559
   23    H    GLY   3           H        GLY   3  -6.239   2.648   2.220
   24    HA2  GLY   3           HA2      GLY   3  -3.571   3.455   2.219
   25    HA3  GLY   3           HA3      GLY   3  -4.430   2.829   3.619
   26    H    THR   4           H        THR   4  -4.948   0.231   2.432
   27    HA   THR   4           HA       THR   4  -2.709  -1.165   3.338
   28    HB   THR   4           HB       THR   4  -3.696  -3.159   2.301
   29    HG1  THR   4           HG1      THR   4  -4.911  -2.927   0.593
   30   HG21  THR   4          HG21      THR   4  -5.330  -3.283   3.849
   31   HG22  THR   4          HG22      THR   4  -4.761  -1.684   4.326
   32   HG23  THR   4          HG23      THR   4  -6.147  -1.841   3.247
   33    H    ILE   5           H        ILE   5  -3.754  -0.539  -0.009
   34    HA   ILE   5           HA       ILE   5  -1.652  -1.824  -1.309
   35    HB   ILE   5           HB       ILE   5  -3.128   0.645  -2.233
   36   HG12  ILE   5          HG12      ILE   5  -4.671  -1.164  -1.699
   37   HG13  ILE   5          HG13      ILE   5  -4.568  -0.960  -3.445
   38   HG21  ILE   5          HG21      ILE   5  -2.557  -0.496  -4.507
   39   HG22  ILE   5          HG22      ILE   5  -1.351   0.500  -3.692
   40   HG23  ILE   5          HG23      ILE   5  -1.264  -1.259  -3.580
   41   HD11  ILE   5          HD11      ILE   5  -3.904  -3.250  -1.786
   42   HD12  ILE   5          HD12      ILE   5  -4.284  -3.162  -3.506
   43   HD13  ILE   5          HD13      ILE   5  -2.642  -2.840  -2.949
   44    H    LEU   6           H        LEU   6  -1.871   1.443  -0.003
   45    HA   LEU   6           HA       LEU   6   0.558   2.401  -1.098
   46    HB2  LEU   6           HB2      LEU   6  -0.937   3.280   1.368
   47    HB3  LEU   6           HB3      LEU   6   0.378   4.172   0.606
   48    HG   LEU   6           HG       LEU   6  -2.245   3.556  -0.748
   49   HD11  LEU   6          HD11      LEU   6  -1.479   6.248   0.299
   50   HD12  LEU   6          HD12      LEU   6  -3.072   5.620  -0.121
   51   HD13  LEU   6          HD13      LEU   6  -2.269   5.075   1.352
   52   HD21  LEU   6          HD21      LEU   6   0.253   4.941  -1.513
   53   HD22  LEU   6          HD22      LEU   6  -0.903   4.051  -2.503
   54   HD23  LEU   6          HD23      LEU   6  -1.260   5.703  -2.000
   55    H    GLY   7           H        GLY   7  -0.261   0.946   2.035
   56    HA2  GLY   7           HA2      GLY   7   2.275   1.209   3.223
   57    HA3  GLY   7           HA3      GLY   7   1.059   0.020   3.668
   58    H    LEU   8           H        LEU   8   0.975  -1.229   1.050
   59    HA   LEU   8           HA       LEU   8   2.903  -3.217   1.411
   60    HB2  LEU   8           HB2      LEU   8   0.853  -3.592   0.173
   61    HB3  LEU   8           HB3      LEU   8   1.369  -2.456  -1.070
   62    HG   LEU   8           HG       LEU   8   3.230  -3.996  -1.637
   63   HD11  LEU   8          HD11      LEU   8   2.843  -6.395  -0.794
   64   HD12  LEU   8          HD12      LEU   8   3.646  -5.246   0.278
   65   HD13  LEU   8          HD13      LEU   8   1.941  -5.631   0.515
   66   HD21  LEU   8          HD21      LEU   8   1.115  -4.020  -2.881
   67   HD22  LEU   8          HD22      LEU   8   1.853  -5.620  -2.805
   68   HD23  LEU   8          HD23      LEU   8   0.481  -5.232  -1.766
   69    H    LEU   9           H        LEU   9   2.829  -0.521  -0.909
   70    HA   LEU   9           HA       LEU   9   5.314  -1.115  -2.113
   71    HB2  LEU   9           HB2      LEU   9   3.941   1.558  -1.898
   72    HB3  LEU   9           HB3      LEU   9   5.196   1.117  -3.053
   73    HG   LEU   9           HG       LEU   9   2.607  -0.379  -3.023
   74   HD11  LEU   9          HD11      LEU   9   2.851   1.934  -4.847
   75   HD12  LEU   9          HD12      LEU   9   1.422   1.219  -4.101
   76   HD13  LEU   9          HD13      LEU   9   2.468   2.283  -3.161
   77   HD21  LEU   9          HD21      LEU   9   4.157   0.394  -5.442
   78   HD22  LEU   9          HD22      LEU   9   4.801  -0.868  -4.392
   79   HD23  LEU   9          HD23      LEU   9   3.208  -1.058  -5.123
   80    H    LYS  10           H        LYS  10   4.397   0.930   0.611
   81    HA   LYS  10           HA       LYS  10   6.867   2.199   1.007
   82    HB2  LYS  10           HB2      LYS  10   4.557   2.660   2.089
   83    HB3  LYS  10           HB3      LYS  10   5.041   1.453   3.275
   84    HG2  LYS  10           HG2      LYS  10   5.687   3.415   4.285
   85    HG3  LYS  10           HG3      LYS  10   7.180   2.901   3.499
   86    HD2  LYS  10           HD2      LYS  10   7.071   5.134   2.909
   87    HD3  LYS  10           HD3      LYS  10   6.320   4.352   1.516
   88    HE2  LYS  10           HE2      LYS  10   4.112   4.715   2.832
   89    HE3  LYS  10           HE3      LYS  10   5.046   5.907   3.735
   90    HZ1  LYS  10          1HZ       LYS  10   3.959   6.072   1.093
   91    HZ2  LYS  10          2HZ       LYS  10   4.512   7.306   2.111
   92    HZ3  LYS  10          3HZ       LYS  10   5.604   6.466   1.129
   93    H    GLY  11           H        GLY  11   5.542  -0.774   2.451
   94    HA2  GLY  11           HA2      GLY  11   7.862  -1.333   4.001
   95    HA3  GLY  11           HA3      GLY  11   6.563  -2.459   3.638
   96    H    LEU  12           H        LEU  12   6.610  -2.911   1.055
   97    HA   LEU  12           HA       LEU  12   9.195  -4.185   0.649
   98    HB2  LEU  12           HB2      LEU  12   6.957  -5.346   0.359
   99    HB3  LEU  12           HB3      LEU  12   6.766  -4.392  -1.112
  100    HG   LEU  12           HG       LEU  12   8.822  -5.448  -2.008
  101   HD11  LEU  12          HD11      LEU  12   9.204  -7.730  -0.622
  102   HD12  LEU  12          HD12      LEU  12  10.177  -6.273  -0.415
  103   HD13  LEU  12          HD13      LEU  12   8.848  -6.610   0.693
  104   HD21  LEU  12          HD21      LEU  12   7.335  -7.854  -1.458
  105   HD22  LEU  12          HD22      LEU  12   6.250  -6.504  -1.790
  106   HD23  LEU  12          HD23      LEU  12   7.490  -6.947  -2.963
  107    HN1  NH2  13           HN1      NH2  13   9.629  -1.578   0.427
  108    HN2  NH2  13           HN2      NH2  13   9.848  -1.055  -1.184
  Start of MODEL    9
    1    H1   ILE   1           H        ILE   1  -9.643   0.573   2.282
    2    HA   ILE   1           HA       ILE   1  -8.218  -1.944   1.714
    3    HB   ILE   1           HB       ILE   1 -10.340  -1.909   0.515
    4   HG12  ILE   1          HG12      ILE   1  -8.111  -1.334  -1.441
    5   HG13  ILE   1          HG13      ILE   1  -8.221  -2.833  -0.525
    6   HG21  ILE   1          HG21      ILE   1 -11.037  -0.206  -0.917
    7   HG22  ILE   1          HG22      ILE   1 -10.370   0.660   0.468
    8   HG23  ILE   1          HG23      ILE   1  -9.424   0.502  -1.013
    9   HD11  ILE   1          HD11      ILE   1 -10.713  -2.623  -1.642
   10   HD12  ILE   1          HD12      ILE   1  -9.658  -1.984  -2.901
   11   HD13  ILE   1          HD13      ILE   1  -9.381  -3.601  -2.256
   12    H    LEU   2           H        LEU   2  -8.427   1.521   1.158
   13    HA   LEU   2           HA       LEU   2  -6.341   1.855  -0.649
   14    HB2  LEU   2           HB2      LEU   2  -7.979   3.586   0.169
   15    HB3  LEU   2           HB3      LEU   2  -6.979   3.737   1.613
   16    HG   LEU   2           HG       LEU   2  -5.078   4.253  -0.105
   17   HD11  LEU   2          HD11      LEU   2  -7.580   4.577  -1.706
   18   HD12  LEU   2          HD12      LEU   2  -6.199   5.635  -1.994
   19   HD13  LEU   2          HD13      LEU   2  -6.027   3.889  -2.178
   20   HD21  LEU   2          HD21      LEU   2  -5.308   6.443   0.460
   21   HD22  LEU   2          HD22      LEU   2  -7.032   6.476   0.086
   22   HD23  LEU   2          HD23      LEU   2  -6.470   5.750   1.592
   23    H    GLY   3           H        GLY   3  -6.247   1.769   2.903
   24    HA2  GLY   3           HA2      GLY   3  -3.496   2.284   3.183
   25    HA3  GLY   3           HA3      GLY   3  -4.507   1.467   4.367
   26    H    THR   4           H        THR   4  -5.265  -0.737   2.730
   27    HA   THR   4           HA       THR   4  -3.212  -2.537   3.284
   28    HB   THR   4           HB       THR   4  -5.414  -2.836   1.232
   29    HG1  THR   4           HG1      THR   4  -6.547  -2.757   3.036
   30   HG21  THR   4          HG21      THR   4  -3.271  -4.612   2.135
   31   HG22  THR   4          HG22      THR   4  -4.880  -5.323   2.260
   32   HG23  THR   4          HG23      THR   4  -4.302  -4.717   0.709
   33    H    ILE   5           H        ILE   5  -3.923  -0.719   0.356
   34    HA   ILE   5           HA       ILE   5  -1.951  -2.073  -1.232
   35    HB   ILE   5           HB       ILE   5  -3.357   0.550  -1.753
   36   HG12  ILE   5          HG12      ILE   5  -3.991  -2.198  -2.840
   37   HG13  ILE   5          HG13      ILE   5  -4.847  -1.453  -1.495
   38   HG21  ILE   5          HG21      ILE   5  -2.772  -0.090  -4.160
   39   HG22  ILE   5          HG22      ILE   5  -1.473   0.530  -3.140
   40   HG23  ILE   5          HG23      ILE   5  -1.605  -1.202  -3.445
   41   HD11  ILE   5          HD11      ILE   5  -5.436  -1.241  -4.205
   42   HD12  ILE   5          HD12      ILE   5  -6.153  -0.327  -2.877
   43   HD13  ILE   5          HD13      ILE   5  -4.765   0.326  -3.748
   44    H    LEU   6           H        LEU   6  -2.189   1.215   0.131
   45    HA   LEU   6           HA       LEU   6   0.291   2.168  -0.620
   46    HB2  LEU   6           HB2      LEU   6  -1.541   2.737   1.658
   47    HB3  LEU   6           HB3      LEU   6   0.076   3.438   1.679
   48    HG   LEU   6           HG       LEU   6  -1.863   3.831  -0.593
   49   HD11  LEU   6          HD11      LEU   6  -1.350   5.655   1.753
   50   HD12  LEU   6          HD12      LEU   6  -2.382   5.995   0.363
   51   HD13  LEU   6          HD13      LEU   6  -2.817   4.711   1.491
   52   HD21  LEU   6          HD21      LEU   6  -0.137   5.976  -0.421
   53   HD22  LEU   6          HD22      LEU   6   0.890   4.592  -0.048
   54   HD23  LEU   6          HD23      LEU   6  -0.019   4.634  -1.559
   55    H    GLY   7           H        GLY   7  -0.558   0.077   2.080
   56    HA2  GLY   7           HA2      GLY   7   1.855   0.203   3.502
   57    HA3  GLY   7           HA3      GLY   7   0.737  -1.154   3.519
   58    H    LEU   8           H        LEU   8   0.841  -2.118   0.997
   59    HA   LEU   8           HA       LEU   8   3.323  -3.504   0.987
   60    HB2  LEU   8           HB2      LEU   8   0.879  -3.481  -0.705
   61    HB3  LEU   8           HB3      LEU   8   2.345  -4.197  -1.372
   62    HG   LEU   8           HG       LEU   8   0.915  -5.905  -0.414
   63   HD11  LEU   8          HD11      LEU   8   2.565  -7.074   0.687
   64   HD12  LEU   8          HD12      LEU   8   3.508  -5.857  -0.172
   65   HD13  LEU   8          HD13      LEU   8   3.155  -5.651   1.544
   66   HD21  LEU   8          HD21      LEU   8   1.290  -5.107   2.373
   67   HD22  LEU   8          HD22      LEU   8   0.244  -4.024   1.454
   68   HD23  LEU   8          HD23      LEU   8  -0.137  -5.744   1.555
   69    H    LEU   9           H        LEU   9   1.956  -0.906  -0.972
   70    HA   LEU   9           HA       LEU   9   3.943  -0.805  -2.946
   71    HB2  LEU   9           HB2      LEU   9   1.636   0.429  -2.680
   72    HB3  LEU   9           HB3      LEU   9   2.643   1.695  -1.979
   73    HG   LEU   9           HG       LEU   9   2.208   2.154  -4.316
   74   HD11  LEU   9          HD11      LEU   9   4.423   2.585  -5.020
   75   HD12  LEU   9          HD12      LEU   9   4.434   2.681  -3.259
   76   HD13  LEU   9          HD13      LEU   9   5.064   1.246  -4.068
   77   HD21  LEU   9          HD21      LEU   9   2.262  -0.549  -4.672
   78   HD22  LEU   9          HD22      LEU   9   2.309   0.645  -5.970
   79   HD23  LEU   9          HD23      LEU   9   3.808  -0.062  -5.367
   80    H    LYS  10           H        LYS  10   3.572   1.374  -0.143
   81    HA   LYS  10           HA       LYS  10   6.127   2.536  -0.401
   82    HB2  LYS  10           HB2      LYS  10   4.365   3.656   0.829
   83    HB3  LYS  10           HB3      LYS  10   4.288   2.336   1.990
   84    HG2  LYS  10           HG2      LYS  10   5.462   4.221   2.938
   85    HG3  LYS  10           HG3      LYS  10   6.567   2.861   2.724
   86    HD2  LYS  10           HD2      LYS  10   7.734   4.787   1.992
   87    HD3  LYS  10           HD3      LYS  10   7.247   3.922   0.532
   88    HE2  LYS  10           HE2      LYS  10   6.812   6.243   0.183
   89    HE3  LYS  10           HE3      LYS  10   5.262   5.432   0.397
   90    HZ1  LYS  10          1HZ       LYS  10   6.679   6.806   2.608
   91    HZ2  LYS  10          2HZ       LYS  10   5.541   7.582   1.623
   92    HZ3  LYS  10          3HZ       LYS  10   5.075   6.267   2.581
   93    H    GLY  11           H        GLY  11   4.931   0.026   1.832
   94    HA2  GLY  11           HA2      GLY  11   7.272  -0.463   3.227
   95    HA3  GLY  11           HA3      GLY  11   6.039  -1.673   2.908
   96    H    LEU  12           H        LEU  12   6.142  -2.284   0.374
   97    HA   LEU  12           HA       LEU  12   8.918  -3.159  -0.047
   98    HB2  LEU  12           HB2      LEU  12   6.262  -4.370  -0.644
   99    HB3  LEU  12           HB3      LEU  12   7.633  -4.781  -1.673
  100    HG   LEU  12           HG       LEU  12   7.266  -6.459   0.063
  101   HD11  LEU  12          HD11      LEU  12   9.452  -6.769  -0.122
  102   HD12  LEU  12          HD12      LEU  12   9.706  -5.053  -0.442
  103   HD13  LEU  12          HD13      LEU  12   9.696  -5.648   1.218
  104   HD21  LEU  12          HD21      LEU  12   6.417  -4.604   1.693
  105   HD22  LEU  12          HD22      LEU  12   7.238  -6.031   2.325
  106   HD23  LEU  12          HD23      LEU  12   8.114  -4.510   2.159
  107    HN1  NH2  13           HN1      NH2  13   6.079  -2.647  -2.147
  108    HN2  NH2  13           HN2      NH2  13   6.867  -1.761  -3.378
  Start of MODEL   10
    1    H1   ILE   1           H        ILE   1 -10.656  -1.354   0.667
    2    HA   ILE   1           HA       ILE   1 -10.145   1.147   1.989
    3    HB   ILE   1           HB       ILE   1  -8.618  -1.282   2.931
    4   HG12  ILE   1          HG12      ILE   1 -10.531   0.460   4.496
    5   HG13  ILE   1          HG13      ILE   1 -10.967  -1.100   3.806
    6   HG21  ILE   1          HG21      ILE   1  -8.111   1.572   3.044
    7   HG22  ILE   1          HG22      ILE   1  -8.131   0.832   4.645
    8   HG23  ILE   1          HG23      ILE   1  -7.039   0.219   3.404
    9   HD11  ILE   1          HD11      ILE   1  -8.594  -0.983   5.577
   10   HD12  ILE   1          HD12      ILE   1 -10.192  -0.845   6.311
   11   HD13  ILE   1          HD13      ILE   1  -9.782  -2.267   5.352
   12    H    LEU   2           H        LEU   2  -8.918   2.245   0.621
   13    HA   LEU   2           HA       LEU   2  -7.427   0.886  -1.444
   14    HB2  LEU   2           HB2      LEU   2  -8.165   3.702  -0.835
   15    HB3  LEU   2           HB3      LEU   2  -6.784   3.410  -1.890
   16    HG   LEU   2           HG       LEU   2  -8.889   3.840  -3.114
   17   HD11  LEU   2          HD11      LEU   2  -7.962   2.642  -4.728
   18   HD12  LEU   2          HD12      LEU   2  -7.004   1.776  -3.526
   19   HD13  LEU   2          HD13      LEU   2  -8.582   1.155  -4.010
   20   HD21  LEU   2          HD21      LEU   2  -9.822   1.148  -2.165
   21   HD22  LEU   2          HD22      LEU   2 -10.293   2.640  -1.350
   22   HD23  LEU   2          HD23      LEU   2 -10.725   2.386  -3.041
   23    H    GLY   3           H        GLY   3  -6.754   2.668   1.503
   24    HA2  GLY   3           HA2      GLY   3  -4.065   3.230   1.228
   25    HA3  GLY   3           HA3      GLY   3  -4.832   2.819   2.755
   26    H    THR   4           H        THR   4  -5.582   0.138   1.896
   27    HA   THR   4           HA       THR   4  -3.456  -1.330   2.854
   28    HB   THR   4           HB       THR   4  -5.788  -2.184   2.585
   29    HG1  THR   4           HG1      THR   4  -3.791  -3.840   1.398
   30   HG21  THR   4          HG21      THR   4  -5.664  -1.410   0.033
   31   HG22  THR   4          HG22      THR   4  -5.166  -3.090  -0.172
   32   HG23  THR   4          HG23      THR   4  -6.720  -2.716   0.573
   33    H    ILE   5           H        ILE   5  -4.087  -0.259  -0.417
   34    HA   ILE   5           HA       ILE   5  -2.128  -1.917  -1.664
   35    HB   ILE   5           HB       ILE   5  -3.357   0.658  -2.657
   36   HG12  ILE   5          HG12      ILE   5  -4.117  -2.213  -3.236
   37   HG13  ILE   5          HG13      ILE   5  -5.002  -1.132  -2.165
   38   HG21  ILE   5          HG21      ILE   5  -1.970   0.510  -4.382
   39   HG22  ILE   5          HG22      ILE   5  -1.234  -0.935  -3.688
   40   HG23  ILE   5          HG23      ILE   5  -2.625  -1.083  -4.761
   41   HD11  ILE   5          HD11      ILE   5  -5.286  -1.474  -4.952
   42   HD12  ILE   5          HD12      ILE   5  -6.166  -0.382  -3.882
   43   HD13  ILE   5          HD13      ILE   5  -4.685   0.161  -4.670
   44    H    LEU   6           H        LEU   6  -2.180   1.483  -0.633
   45    HA   LEU   6           HA       LEU   6   0.410   2.138  -1.503
   46    HB2  LEU   6           HB2      LEU   6  -1.205   3.838  -0.932
   47    HB3  LEU   6           HB3      LEU   6  -1.249   3.280   0.738
   48    HG   LEU   6           HG       LEU   6   1.031   4.048   1.079
   49   HD11  LEU   6          HD11      LEU   6   2.054   3.725  -1.023
   50   HD12  LEU   6          HD12      LEU   6   0.880   4.757  -1.838
   51   HD13  LEU   6          HD13      LEU   6   2.064   5.466  -0.741
   52   HD21  LEU   6          HD21      LEU   6  -0.909   6.029  -0.083
   53   HD22  LEU   6          HD22      LEU   6  -0.587   5.671   1.614
   54   HD23  LEU   6          HD23      LEU   6   0.621   6.518   0.646
   55    H    GLY   7           H        GLY   7  -0.784   0.806   1.544
   56    HA2  GLY   7           HA2      GLY   7   1.572   1.006   3.043
   57    HA3  GLY   7           HA3      GLY   7   0.309  -0.191   3.298
   58    H    LEU   8           H        LEU   8   0.530  -1.454   0.739
   59    HA   LEU   8           HA       LEU   8   2.601  -3.303   1.319
   60    HB2  LEU   8           HB2      LEU   8   0.368  -3.611   0.030
   61    HB3  LEU   8           HB3      LEU   8   1.303  -3.088  -1.367
   62    HG   LEU   8           HG       LEU   8   2.195  -5.401   0.323
   63   HD11  LEU   8          HD11      LEU   8   0.681  -5.913  -2.170
   64   HD12  LEU   8          HD12      LEU   8   0.821  -6.885  -0.705
   65   HD13  LEU   8          HD13      LEU   8  -0.247  -5.481  -0.732
   66   HD21  LEU   8          HD21      LEU   8   3.910  -4.813  -1.104
   67   HD22  LEU   8          HD22      LEU   8   3.047  -6.022  -2.057
   68   HD23  LEU   8          HD23      LEU   8   2.812  -4.306  -2.387
   69    H    LEU   9           H        LEU   9   2.217  -0.848  -1.222
   70    HA   LEU   9           HA       LEU   9   4.656  -1.329  -2.526
   71    HB2  LEU   9           HB2      LEU   9   2.702   0.032  -3.357
   72    HB3  LEU   9           HB3      LEU   9   3.270   1.335  -2.315
   73    HG   LEU   9           HG       LEU   9   5.405   1.347  -3.594
   74   HD11  LEU   9          HD11      LEU   9   4.533   0.104  -5.976
   75   HD12  LEU   9          HD12      LEU   9   5.899  -0.332  -4.950
   76   HD13  LEU   9          HD13      LEU   9   4.316  -1.056  -4.666
   77   HD21  LEU   9          HD21      LEU   9   2.816   1.841  -5.047
   78   HD22  LEU   9          HD22      LEU   9   3.799   3.000  -4.153
   79   HD23  LEU   9          HD23      LEU   9   4.388   2.334  -5.676
   80    H    LYS  10           H        LYS  10   3.849   1.316  -0.269
   81    HA   LYS  10           HA       LYS  10   6.441   2.300   0.025
   82    HB2  LYS  10           HB2      LYS  10   4.184   3.291   0.808
   83    HB3  LYS  10           HB3      LYS  10   4.437   2.341   2.266
   84    HG2  LYS  10           HG2      LYS  10   6.626   4.124   1.328
   85    HG3  LYS  10           HG3      LYS  10   5.218   4.839   2.116
   86    HD2  LYS  10           HD2      LYS  10   5.561   3.382   4.052
   87    HD3  LYS  10           HD3      LYS  10   6.964   2.658   3.262
   88    HE2  LYS  10           HE2      LYS  10   7.786   4.279   4.792
   89    HE3  LYS  10           HE3      LYS  10   7.975   4.953   3.175
   90    HZ1  LYS  10          1HZ       LYS  10   6.742   6.159   5.291
   91    HZ2  LYS  10          2HZ       LYS  10   6.640   6.640   3.673
   92    HZ3  LYS  10          3HZ       LYS  10   5.454   5.629   4.332
   93    H    GLY  11           H        GLY  11   4.679  -0.049   2.042
   94    HA2  GLY  11           HA2      GLY  11   6.685  -0.492   3.938
   95    HA3  GLY  11           HA3      GLY  11   5.433  -1.646   3.505
   96    H    LEU  12           H        LEU  12   6.017  -2.291   0.939
   97    HA   LEU  12           HA       LEU  12   8.796  -3.256   1.025
   98    HB2  LEU  12           HB2      LEU  12   6.827  -4.912   1.584
   99    HB3  LEU  12           HB3      LEU  12   6.661  -4.956  -0.170
  100    HG   LEU  12           HG       LEU  12   7.987  -6.831   0.665
  101   HD11  LEU  12          HD11      LEU  12   8.426  -5.833  -1.566
  102   HD12  LEU  12          HD12      LEU  12   9.713  -4.872  -0.839
  103   HD13  LEU  12          HD13      LEU  12   9.830  -6.631  -0.856
  104   HD21  LEU  12          HD21      LEU  12  10.381  -5.352   1.320
  105   HD22  LEU  12          HD22      LEU  12   9.055  -4.950   2.411
  106   HD23  LEU  12          HD23      LEU  12   9.563  -6.628   2.221
  107    HN1  NH2  13           HN1      NH2  13   9.484  -1.723  -0.463
  108    HN2  NH2  13           HN2      NH2  13   9.038  -1.704  -2.112
  Start of MODEL   11
    1    H1   ILE   1           H        ILE   1 -10.577  -1.492   1.513
    2    HA   ILE   1           HA       ILE   1 -10.347   1.385   1.377
    3    HB   ILE   1           HB       ILE   1 -10.086   0.194   3.524
    4   HG12  ILE   1          HG12      ILE   1  -7.410   1.403   2.959
    5   HG13  ILE   1          HG13      ILE   1  -8.847   2.403   2.781
    6   HG21  ILE   1          HG21      ILE   1  -8.628  -1.620   2.144
    7   HG22  ILE   1          HG22      ILE   1  -7.349  -0.690   2.923
    8   HG23  ILE   1          HG23      ILE   1  -8.602  -1.455   3.900
    9   HD11  ILE   1          HD11      ILE   1  -9.458   1.855   5.111
   10   HD12  ILE   1          HD12      ILE   1  -7.935   0.979   5.266
   11   HD13  ILE   1          HD13      ILE   1  -7.926   2.717   4.967
   12    H    LEU   2           H        LEU   2  -8.662   2.561   0.544
   13    HA   LEU   2           HA       LEU   2  -7.122   1.272  -1.530
   14    HB2  LEU   2           HB2      LEU   2  -7.631   4.074  -0.668
   15    HB3  LEU   2           HB3      LEU   2  -6.201   3.744  -1.643
   16    HG   LEU   2           HG       LEU   2  -8.138   4.524  -2.966
   17   HD11  LEU   2          HD11      LEU   2  -7.615   3.210  -4.744
   18   HD12  LEU   2          HD12      LEU   2  -6.308   2.734  -3.660
   19   HD13  LEU   2          HD13      LEU   2  -7.737   1.713  -3.820
   20   HD21  LEU   2          HD21      LEU   2  -9.410   1.866  -2.377
   21   HD22  LEU   2          HD22      LEU   2  -9.811   3.323  -1.468
   22   HD23  LEU   2          HD23      LEU   2 -10.104   3.259  -3.207
   23    H    GLY   3           H        GLY   3  -6.559   2.659   1.644
   24    HA2  GLY   3           HA2      GLY   3  -3.816   2.959   1.658
   25    HA3  GLY   3           HA3      GLY   3  -4.759   2.475   3.060
   26    H    THR   4           H        THR   4  -5.679  -0.008   1.846
   27    HA   THR   4           HA       THR   4  -3.805  -1.784   2.806
   28    HB   THR   4           HB       THR   4  -6.170  -2.354   2.250
   29    HG1  THR   4           HG1      THR   4  -5.396  -4.306   2.427
   30   HG21  THR   4          HG21      THR   4  -5.332  -2.975  -0.543
   31   HG22  THR   4          HG22      THR   4  -6.940  -2.646   0.105
   32   HG23  THR   4          HG23      THR   4  -5.804  -1.320  -0.151
   33    H    ILE   5           H        ILE   5  -4.019  -0.318  -0.365
   34    HA   ILE   5           HA       ILE   5  -2.063  -2.035  -1.573
   35    HB   ILE   5           HB       ILE   5  -3.049   0.659  -2.515
   36   HG12  ILE   5          HG12      ILE   5  -3.989  -2.094  -3.341
   37   HG13  ILE   5          HG13      ILE   5  -4.840  -1.066  -2.192
   38   HG21  ILE   5          HG21      ILE   5  -1.355  -1.472  -3.743
   39   HG22  ILE   5          HG22      ILE   5  -2.379  -0.463  -4.766
   40   HG23  ILE   5          HG23      ILE   5  -1.140   0.279  -3.754
   41   HD11  ILE   5          HD11      ILE   5  -5.011   0.653  -3.991
   42   HD12  ILE   5          HD12      ILE   5  -4.360  -0.544  -5.110
   43   HD13  ILE   5          HD13      ILE   5  -5.899  -0.839  -4.301
   44    H    LEU   6           H        LEU   6  -2.059   1.342  -0.445
   45    HA   LEU   6           HA       LEU   6   0.572   1.980  -1.037
   46    HB2  LEU   6           HB2      LEU   6  -1.397   2.921   0.985
   47    HB3  LEU   6           HB3      LEU   6   0.280   3.437   1.148
   48    HG   LEU   6           HG       LEU   6   0.017   4.201  -1.321
   49   HD11  LEU   6          HD11      LEU   6  -2.861   4.081  -0.430
   50   HD12  LEU   6          HD12      LEU   6  -2.267   4.904  -1.872
   51   HD13  LEU   6          HD13      LEU   6  -2.130   3.151  -1.739
   52   HD21  LEU   6          HD21      LEU   6   0.197   5.567   0.857
   53   HD22  LEU   6          HD22      LEU   6  -0.440   6.359  -0.584
   54   HD23  LEU   6          HD23      LEU   6  -1.541   5.802   0.675
   55    H    GLY   7           H        GLY   7  -0.752   0.254   1.737
   56    HA2  GLY   7           HA2      GLY   7   1.468   0.231   3.409
   57    HA3  GLY   7           HA3      GLY   7   0.266  -1.049   3.329
   58    H    LEU   8           H        LEU   8   0.649  -2.065   0.819
   59    HA   LEU   8           HA       LEU   8   2.881  -3.740   1.192
   60    HB2  LEU   8           HB2      LEU   8   0.893  -3.284  -0.963
   61    HB3  LEU   8           HB3      LEU   8   2.373  -4.143  -1.389
   62    HG   LEU   8           HG       LEU   8   0.511  -5.661  -0.870
   63   HD11  LEU   8          HD11      LEU   8   1.911  -7.175   0.009
   64   HD12  LEU   8          HD12      LEU   8   3.110  -5.887  -0.115
   65   HD13  LEU   8          HD13      LEU   8   2.277  -6.173   1.413
   66   HD21  LEU   8          HD21      LEU   8  -0.177  -5.871   1.522
   67   HD22  LEU   8          HD22      LEU   8   0.651  -4.346   1.838
   68   HD23  LEU   8          HD23      LEU   8  -0.724  -4.392   0.734
   69    H    LEU   9           H        LEU   9   2.327  -1.107  -1.142
   70    HA   LEU   9           HA       LEU   9   4.811  -1.201  -2.402
   71    HB2  LEU   9           HB2      LEU   9   2.742   0.907  -2.017
   72    HB3  LEU   9           HB3      LEU   9   4.303   1.362  -2.695
   73    HG   LEU   9           HG       LEU   9   2.635   0.980  -4.438
   74   HD11  LEU   9          HD11      LEU   9   4.261   0.256  -5.762
   75   HD12  LEU   9          HD12      LEU   9   5.212  -0.074  -4.314
   76   HD13  LEU   9          HD13      LEU   9   4.224  -1.348  -5.029
   77   HD21  LEU   9          HD21      LEU   9   1.231  -0.641  -3.305
   78   HD22  LEU   9          HD22      LEU   9   1.789  -1.293  -4.846
   79   HD23  LEU   9          HD23      LEU   9   2.534  -1.829  -3.340
   80    H    LYS  10           H        LYS  10   3.781   0.525   0.505
   81    HA   LYS  10           HA       LYS  10   6.199   1.954   0.888
   82    HB2  LYS  10           HB2      LYS  10   4.203   2.724   1.975
   83    HB3  LYS  10           HB3      LYS  10   3.986   1.182   2.792
   84    HG2  LYS  10           HG2      LYS  10   4.816   2.841   4.336
   85    HG3  LYS  10           HG3      LYS  10   6.031   1.586   4.081
   86    HD2  LYS  10           HD2      LYS  10   7.074   3.780   4.075
   87    HD3  LYS  10           HD3      LYS  10   7.180   3.050   2.472
   88    HE2  LYS  10           HE2      LYS  10   6.565   5.447   2.416
   89    HE3  LYS  10           HE3      LYS  10   5.352   4.400   1.681
   90    HZ1  LYS  10          1HZ       LYS  10   5.204   5.450   4.454
   91    HZ2  LYS  10          2HZ       LYS  10   4.398   6.127   3.129
   92    HZ3  LYS  10          3HZ       LYS  10   4.012   4.563   3.645
   93    H    GLY  11           H        GLY  11   4.964  -1.086   2.257
   94    HA2  GLY  11           HA2      GLY  11   7.161  -1.604   3.941
   95    HA3  GLY  11           HA3      GLY  11   6.033  -2.808   3.335
   96    H    LEU  12           H        LEU  12   6.509  -2.605   0.600
   97    HA   LEU  12           HA       LEU  12   7.849  -3.479  -1.017
   98    HB2  LEU  12           HB2      LEU  12   9.143  -1.353  -0.120
   99    HB3  LEU  12           HB3      LEU  12  10.299  -2.575   0.405
  100    HG   LEU  12           HG       LEU  12   9.402  -2.648  -2.427
  101   HD11  LEU  12          HD11      LEU  12  10.164  -0.230  -1.429
  102   HD12  LEU  12          HD12      LEU  12  11.703  -0.905  -1.962
  103   HD13  LEU  12          HD13      LEU  12  10.368  -0.747  -3.102
  104   HD21  LEU  12          HD21      LEU  12  12.047  -2.988  -2.454
  105   HD22  LEU  12          HD22      LEU  12  11.727  -3.465  -0.786
  106   HD23  LEU  12          HD23      LEU  12  10.922  -4.302  -2.114
  107    HN1  NH2  13           HN1      NH2  13   7.078  -5.375   0.671
  108    HN2  NH2  13           HN2      NH2  13   8.306  -6.502   1.041
  Start of MODEL   12
    1    H1   ILE   1           H        ILE   1  -9.938  -2.059   0.710
    2    HA   ILE   1           HA       ILE   1  -9.457   0.087   2.524
    3    HB   ILE   1           HB       ILE   1  -7.604  -2.278   2.802
    4   HG12  ILE   1          HG12      ILE   1  -8.647  -2.049   5.251
    5   HG13  ILE   1          HG13      ILE   1 -10.027  -1.463   4.330
    6   HG21  ILE   1          HG21      ILE   1  -7.763   0.150   4.560
    7   HG22  ILE   1          HG22      ILE   1  -6.460  -1.032   4.426
    8   HG23  ILE   1          HG23      ILE   1  -6.756   0.108   3.112
    9   HD11  ILE   1          HD11      ILE   1  -9.250  -4.126   4.825
   10   HD12  ILE   1          HD12      ILE   1 -10.614  -3.540   3.873
   11   HD13  ILE   1          HD13      ILE   1  -9.058  -3.832   3.096
   12    H    LEU   2           H        LEU   2  -8.593   1.532   1.200
   13    HA   LEU   2           HA       LEU   2  -7.093   0.726  -1.131
   14    HB2  LEU   2           HB2      LEU   2  -8.223   3.258  -0.074
   15    HB3  LEU   2           HB3      LEU   2  -6.869   3.374  -1.196
   16    HG   LEU   2           HG       LEU   2  -9.474   1.970  -1.782
   17   HD11  LEU   2          HD11      LEU   2  -8.730   4.433  -3.217
   18   HD12  LEU   2          HD12      LEU   2 -10.309   3.861  -2.677
   19   HD13  LEU   2          HD13      LEU   2  -9.213   4.638  -1.534
   20   HD21  LEU   2          HD21      LEU   2  -8.109   0.979  -3.287
   21   HD22  LEU   2          HD22      LEU   2  -8.365   2.486  -4.169
   22   HD23  LEU   2          HD23      LEU   2  -6.904   2.265  -3.207
   23    H    GLY   3           H        GLY   3  -6.450   2.168   2.002
   24    HA2  GLY   3           HA2      GLY   3  -3.908   3.183   1.654
   25    HA3  GLY   3           HA3      GLY   3  -4.477   2.448   3.146
   26    H    THR   4           H        THR   4  -4.888  -0.173   1.942
   27    HA   THR   4           HA       THR   4  -2.496  -1.403   2.541
   28    HB   THR   4           HB       THR   4  -4.687  -2.571   2.288
   29    HG1  THR   4           HG1      THR   4  -3.040  -3.985   2.421
   30   HG21  THR   4          HG21      THR   4  -5.685  -2.979   0.274
   31   HG22  THR   4          HG22      THR   4  -4.910  -1.442  -0.112
   32   HG23  THR   4          HG23      THR   4  -4.159  -2.958  -0.610
   33    H    ILE   5           H        ILE   5  -3.547  -0.003  -0.490
   34    HA   ILE   5           HA       ILE   5  -1.611  -1.153  -2.178
   35    HB   ILE   5           HB       ILE   5  -2.949   1.543  -2.436
   36   HG12  ILE   5          HG12      ILE   5  -4.559  -0.304  -2.280
   37   HG13  ILE   5          HG13      ILE   5  -4.536   0.376  -3.902
   38   HG21  ILE   5          HG21      ILE   5  -1.072   1.513  -3.881
   39   HG22  ILE   5          HG22      ILE   5  -1.405  -0.141  -4.393
   40   HG23  ILE   5          HG23      ILE   5  -2.480   1.167  -4.884
   41   HD11  ILE   5          HD11      ILE   5  -4.183  -1.641  -4.722
   42   HD12  ILE   5          HD12      ILE   5  -2.656  -1.728  -3.843
   43   HD13  ILE   5          HD13      ILE   5  -4.142  -2.311  -3.091
   44    H    LEU   6           H        LEU   6  -1.661   2.130  -0.774
   45    HA   LEU   6           HA       LEU   6   0.980   2.765  -1.503
   46    HB2  LEU   6           HB2      LEU   6  -1.034   3.879   0.374
   47    HB3  LEU   6           HB3      LEU   6   0.641   4.397   0.562
   48    HG   LEU   6           HG       LEU   6  -0.612   5.995  -0.767
   49   HD11  LEU   6          HD11      LEU   6   0.954   6.291  -2.455
   50   HD12  LEU   6          HD12      LEU   6   1.826   5.329  -1.262
   51   HD13  LEU   6          HD13      LEU   6   1.163   4.558  -2.703
   52   HD21  LEU   6          HD21      LEU   6  -1.984   5.480  -2.473
   53   HD22  LEU   6          HD22      LEU   6  -0.928   4.205  -3.079
   54   HD23  LEU   6          HD23      LEU   6  -2.008   3.884  -1.723
   55    H    GLY   7           H        GLY   7  -0.386   1.368   1.444
   56    HA2  GLY   7           HA2      GLY   7   1.926   1.454   3.033
   57    HA3  GLY   7           HA3      GLY   7   0.603   0.313   3.224
   58    H    LEU   8           H        LEU   8   0.789  -1.017   0.762
   59    HA   LEU   8           HA       LEU   8   2.759  -2.938   1.343
   60    HB2  LEU   8           HB2      LEU   8   0.983  -2.406  -1.002
   61    HB3  LEU   8           HB3      LEU   8   2.236  -3.642  -1.107
   62    HG   LEU   8           HG       LEU   8   0.136  -3.655   1.046
   63   HD11  LEU   8          HD11      LEU   8  -1.085  -3.722  -1.005
   64   HD12  LEU   8          HD12      LEU   8   0.039  -4.889  -1.699
   65   HD13  LEU   8          HD13      LEU   8  -1.010  -5.363  -0.364
   66   HD21  LEU   8          HD21      LEU   8   0.824  -6.217   0.573
   67   HD22  LEU   8          HD22      LEU   8   2.341  -5.407   0.182
   68   HD23  LEU   8          HD23      LEU   8   1.612  -5.194   1.774
   69    H    LEU   9           H        LEU   9   2.705  -0.209  -0.883
   70    HA   LEU   9           HA       LEU   9   5.103  -0.845  -2.247
   71    HB2  LEU   9           HB2      LEU   9   3.498   1.657  -1.890
   72    HB3  LEU   9           HB3      LEU   9   5.058   1.700  -2.710
   73    HG   LEU   9           HG       LEU   9   2.763  -0.043  -3.591
   74   HD11  LEU   9          HD11      LEU   9   3.152   2.020  -5.432
   75   HD12  LEU   9          HD12      LEU   9   1.765   1.777  -4.370
   76   HD13  LEU   9          HD13      LEU   9   3.105   2.799  -3.850
   77   HD21  LEU   9          HD21      LEU   9   5.314   0.824  -4.948
   78   HD22  LEU   9          HD22      LEU   9   4.956  -0.789  -4.330
   79   HD23  LEU   9          HD23      LEU   9   4.034  -0.141  -5.686
   80    H    LYS  10           H        LYS  10   4.392   0.986   0.670
   81    HA   LYS  10           HA       LYS  10   7.032   2.026   0.991
   82    HB2  LYS  10           HB2      LYS  10   4.675   1.774   2.853
   83    HB3  LYS  10           HB3      LYS  10   6.210   2.461   3.367
   84    HG2  LYS  10           HG2      LYS  10   5.975   4.103   1.467
   85    HG3  LYS  10           HG3      LYS  10   4.323   3.510   1.278
   86    HD2  LYS  10           HD2      LYS  10   3.959   5.280   2.685
   87    HD3  LYS  10           HD3      LYS  10   4.213   3.993   3.866
   88    HE2  LYS  10           HE2      LYS  10   5.599   5.624   4.697
   89    HE3  LYS  10           HE3      LYS  10   6.720   4.728   3.671
   90    HZ1  LYS  10          1HZ       LYS  10   6.993   6.477   2.342
   91    HZ2  LYS  10          2HZ       LYS  10   5.337   6.816   2.271
   92    HZ3  LYS  10          3HZ       LYS  10   6.266   7.400   3.559
   93    H    GLY  11           H        GLY  11   5.238  -0.634   2.539
   94    HA2  GLY  11           HA2      GLY  11   7.330  -1.496   4.212
   95    HA3  GLY  11           HA3      GLY  11   5.966  -2.477   3.697
   96    H    LEU  12           H        LEU  12   6.267  -2.815   1.074
   97    HA   LEU  12           HA       LEU  12   8.526  -4.582   0.928
   98    HB2  LEU  12           HB2      LEU  12   6.500  -3.823  -1.171
   99    HB3  LEU  12           HB3      LEU  12   7.666  -5.138  -1.300
  100    HG   LEU  12           HG       LEU  12   5.500  -5.023   0.794
  101   HD11  LEU  12          HD11      LEU  12   4.675  -5.113  -1.601
  102   HD12  LEU  12          HD12      LEU  12   5.465  -6.687  -1.709
  103   HD13  LEU  12          HD13      LEU  12   4.166  -6.429  -0.544
  104   HD21  LEU  12          HD21      LEU  12   6.671  -7.573  -0.082
  105   HD22  LEU  12          HD22      LEU  12   7.772  -6.498   0.781
  106   HD23  LEU  12          HD23      LEU  12   6.262  -7.004   1.536
  107    HN1  NH2  13           HN1      NH2  13   9.960  -2.578   1.282
  108    HN2  NH2  13           HN2      NH2  13  10.612  -1.819  -0.102
  Start of MODEL   13
    1    H1   ILE   1           H        ILE   1  -9.349  -2.259   3.444
    2    HA   ILE   1           HA       ILE   1 -10.183  -0.401   1.669
    3    HB   ILE   1           HB       ILE   1  -9.737  -0.014   4.108
    4   HG12  ILE   1          HG12      ILE   1  -8.605   2.115   2.282
    5   HG13  ILE   1          HG13      ILE   1 -10.325   1.795   2.482
    6   HG21  ILE   1          HG21      ILE   1  -7.351  -0.851   3.938
    7   HG22  ILE   1          HG22      ILE   1  -6.952   0.723   3.252
    8   HG23  ILE   1          HG23      ILE   1  -7.602   0.613   4.888
    9   HD11  ILE   1          HD11      ILE   1  -9.233   2.133   5.059
   10   HD12  ILE   1          HD12      ILE   1  -8.618   3.439   4.045
   11   HD13  ILE   1          HD13      ILE   1 -10.356   3.184   4.195
   12    H    LEU   2           H        LEU   2  -9.184   1.216   0.369
   13    HA   LEU   2           HA       LEU   2  -7.334   0.328  -1.466
   14    HB2  LEU   2           HB2      LEU   2  -8.296   3.023  -0.648
   15    HB3  LEU   2           HB3      LEU   2  -6.920   2.917  -1.745
   16    HG   LEU   2           HG       LEU   2  -8.550   1.350  -3.100
   17   HD11  LEU   2          HD11      LEU   2 -10.863   2.050  -2.939
   18   HD12  LEU   2          HD12      LEU   2 -10.318   1.391  -1.397
   19   HD13  LEU   2          HD13      LEU   2 -10.466   3.134  -1.607
   20   HD21  LEU   2          HD21      LEU   2  -9.448   3.494  -4.196
   21   HD22  LEU   2          HD22      LEU   2  -8.461   4.345  -3.007
   22   HD23  LEU   2          HD23      LEU   2  -7.702   3.245  -4.158
   23    H    GLY   3           H        GLY   3  -6.790   1.901   1.616
   24    HA2  GLY   3           HA2      GLY   3  -4.179   2.754   1.390
   25    HA3  GLY   3           HA3      GLY   3  -4.876   2.112   2.870
   26    H    THR   4           H        THR   4  -5.364  -0.527   1.700
   27    HA   THR   4           HA       THR   4  -3.104  -1.875   2.515
   28    HB   THR   4           HB       THR   4  -5.336  -2.919   2.107
   29    HG1  THR   4           HG1      THR   4  -4.265  -4.861   1.015
   30   HG21  THR   4          HG21      THR   4  -6.190  -3.313   0.029
   31   HG22  THR   4          HG22      THR   4  -5.273  -1.852  -0.337
   32   HG23  THR   4          HG23      THR   4  -4.599  -3.436  -0.722
   33    H    ILE   5           H        ILE   5  -3.824  -0.495  -0.620
   34    HA   ILE   5           HA       ILE   5  -1.674  -1.785  -1.998
   35    HB   ILE   5           HB       ILE   5  -3.085   0.754  -2.814
   36   HG12  ILE   5          HG12      ILE   5  -4.714  -1.038  -2.325
   37   HG13  ILE   5          HG13      ILE   5  -4.656  -0.654  -4.042
   38   HG21  ILE   5          HG21      ILE   5  -1.111  -1.008  -4.043
   39   HG22  ILE   5          HG22      ILE   5  -2.511  -0.696  -5.069
   40   HG23  ILE   5          HG23      ILE   5  -1.558   0.651  -4.444
   41   HD11  ILE   5          HD11      ILE   5  -2.795  -2.729  -3.555
   42   HD12  ILE   5          HD12      ILE   5  -4.316  -3.159  -2.774
   43   HD13  ILE   5          HD13      ILE   5  -4.285  -2.780  -4.495
   44    H    LEU   6           H        LEU   6  -2.169   1.493  -0.706
   45    HA   LEU   6           HA       LEU   6   0.358   2.497  -1.433
   46    HB2  LEU   6           HB2      LEU   6  -1.795   3.696  -0.587
   47    HB3  LEU   6           HB3      LEU   6  -1.088   3.442   1.008
   48    HG   LEU   6           HG       LEU   6   0.956   4.669   0.147
   49   HD11  LEU   6          HD11      LEU   6  -0.957   5.209  -2.109
   50   HD12  LEU   6          HD12      LEU   6   0.418   6.254  -1.746
   51   HD13  LEU   6          HD13      LEU   6   0.685   4.568  -2.194
   52   HD21  LEU   6          HD21      LEU   6  -1.562   5.630   1.092
   53   HD22  LEU   6          HD22      LEU   6   0.054   6.270   1.389
   54   HD23  LEU   6          HD23      LEU   6  -0.867   6.815  -0.013
   55    H    GLY   7           H        GLY   7  -0.775   0.760   1.410
   56    HA2  GLY   7           HA2      GLY   7   1.606   1.152   2.941
   57    HA3  GLY   7           HA3      GLY   7   0.339  -0.020   3.271
   58    H    LEU   8           H        LEU   8   0.493  -1.344   0.719
   59    HA   LEU   8           HA       LEU   8   2.388  -3.312   1.299
   60    HB2  LEU   8           HB2      LEU   8   0.414  -3.666  -0.113
   61    HB3  LEU   8           HB3      LEU   8   1.132  -2.650  -1.362
   62    HG   LEU   8           HG       LEU   8   2.963  -4.310  -1.589
   63   HD11  LEU   8          HD11      LEU   8   3.264  -5.854  -0.031
   64   HD12  LEU   8          HD12      LEU   8   1.794  -5.342   0.797
   65   HD13  LEU   8          HD13      LEU   8   1.713  -6.575  -0.460
   66   HD21  LEU   8          HD21      LEU   8   0.283  -5.625  -1.948
   67   HD22  LEU   8          HD22      LEU   8   0.827  -4.287  -2.961
   68   HD23  LEU   8          HD23      LEU   8   1.733  -5.800  -2.937
   69    H    LEU   9           H        LEU   9   2.477  -1.014  -1.433
   70    HA   LEU   9           HA       LEU   9   5.102  -1.553  -2.206
   71    HB2  LEU   9           HB2      LEU   9   4.997   0.428  -3.509
   72    HB3  LEU   9           HB3      LEU   9   3.392  -0.300  -3.519
   73    HG   LEU   9           HG       LEU   9   3.027   1.421  -1.523
   74   HD11  LEU   9          HD11      LEU   9   4.798   2.752  -1.260
   75   HD12  LEU   9          HD12      LEU   9   5.506   2.267  -2.802
   76   HD13  LEU   9          HD13      LEU   9   4.276   3.531  -2.753
   77   HD21  LEU   9          HD21      LEU   9   2.718   1.625  -4.462
   78   HD22  LEU   9          HD22      LEU   9   1.501   1.654  -3.188
   79   HD23  LEU   9          HD23      LEU   9   2.463   3.093  -3.520
   80    H    LYS  10           H        LYS  10   3.827   0.710   0.171
   81    HA   LYS  10           HA       LYS  10   6.168   2.170   0.660
   82    HB2  LYS  10           HB2      LYS  10   3.657   1.624   2.165
   83    HB3  LYS  10           HB3      LYS  10   5.015   2.292   3.062
   84    HG2  LYS  10           HG2      LYS  10   3.939   3.531   0.544
   85    HG3  LYS  10           HG3      LYS  10   3.374   3.962   2.160
   86    HD2  LYS  10           HD2      LYS  10   6.301   4.014   1.570
   87    HD3  LYS  10           HD3      LYS  10   5.281   5.339   1.004
   88    HE2  LYS  10           HE2      LYS  10   5.917   6.124   3.068
   89    HE3  LYS  10           HE3      LYS  10   4.402   5.316   3.468
   90    HZ1  LYS  10          1HZ       LYS  10   6.637   4.889   4.798
   91    HZ2  LYS  10          2HZ       LYS  10   5.460   3.690   4.601
   92    HZ3  LYS  10          3HZ       LYS  10   6.827   3.705   3.604
   93    H    GLY  11           H        GLY  11   4.906  -0.752   2.250
   94    HA2  GLY  11           HA2      GLY  11   7.091  -1.004   4.056
   95    HA3  GLY  11           HA3      GLY  11   5.915  -2.252   3.673
   96    H    LEU  12           H        LEU  12   6.392  -2.421   0.891
   97    HA   LEU  12           HA       LEU  12   9.155  -2.838   0.349
   98    HB2  LEU  12           HB2      LEU  12   8.456  -4.754   1.914
   99    HB3  LEU  12           HB3      LEU  12   7.555  -5.369   0.530
  100    HG   LEU  12           HG       LEU  12  10.460  -4.773   0.209
  101   HD11  LEU  12          HD11      LEU  12  10.342  -7.462   0.852
  102   HD12  LEU  12          HD12      LEU  12  11.037  -6.174   1.836
  103   HD13  LEU  12          HD13      LEU  12   9.368  -6.679   2.096
  104   HD21  LEU  12          HD21      LEU  12   9.061  -5.415  -1.712
  105   HD22  LEU  12          HD22      LEU  12  10.323  -6.599  -1.376
  106   HD23  LEU  12          HD23      LEU  12   8.658  -6.926  -0.896
  107    HN1  NH2  13           HN1      NH2  13   9.447  -2.740  -1.788
  108    HN2  NH2  13           HN2      NH2  13   8.280  -2.994  -3.009
  Start of MODEL   14
    1    H1   ILE   1           H        ILE   1  -8.329  -0.654   3.911
    2    HA   ILE   1           HA       ILE   1  -8.123  -1.864   1.991
    3    HB   ILE   1           HB       ILE   1 -10.223   0.104   1.077
    4   HG12  ILE   1          HG12      ILE   1 -10.436  -2.700   2.195
    5   HG13  ILE   1          HG13      ILE   1 -10.868  -1.217   3.040
    6   HG21  ILE   1          HG21      ILE   1 -10.783  -1.813  -0.525
    7   HG22  ILE   1          HG22      ILE   1  -9.388  -0.804  -0.907
    8   HG23  ILE   1          HG23      ILE   1  -9.153  -2.397  -0.186
    9   HD11  ILE   1          HD11      ILE   1 -12.368  -1.023   0.780
   10   HD12  ILE   1          HD12      ILE   1 -12.361  -2.762   1.066
   11   HD13  ILE   1          HD13      ILE   1 -12.930  -1.664   2.324
   12    H    LEU   2           H        LEU   2  -8.470   1.548   1.001
   13    HA   LEU   2           HA       LEU   2  -6.729   1.248  -1.239
   14    HB2  LEU   2           HB2      LEU   2  -7.860   3.655   0.165
   15    HB3  LEU   2           HB3      LEU   2  -6.816   3.773  -1.250
   16    HG   LEU   2           HG       LEU   2  -8.573   2.301  -2.416
   17   HD11  LEU   2          HD11      LEU   2  -9.790   2.700   0.196
   18   HD12  LEU   2          HD12      LEU   2 -10.843   3.178  -1.137
   19   HD13  LEU   2          HD13      LEU   2 -10.184   1.543  -1.076
   20   HD21  LEU   2          HD21      LEU   2 -10.047   4.348  -2.769
   21   HD22  LEU   2          HD22      LEU   2  -8.987   5.171  -1.625
   22   HD23  LEU   2          HD23      LEU   2  -8.330   4.526  -3.130
   23    H    GLY   3           H        GLY   3  -6.364   2.545   2.033
   24    HA2  GLY   3           HA2      GLY   3  -3.773   3.590   1.746
   25    HA3  GLY   3           HA3      GLY   3  -4.497   3.068   3.260
   26    H    THR   4           H        THR   4  -4.860   0.350   2.680
   27    HA   THR   4           HA       THR   4  -2.432  -0.742   3.446
   28    HB   THR   4           HB       THR   4  -4.646  -2.159   1.949
   29    HG1  THR   4           HG1      THR   4  -5.210  -2.738   4.197
   30   HG21  THR   4          HG21      THR   4  -2.275  -3.118   3.520
   31   HG22  THR   4          HG22      THR   4  -3.732  -4.104   3.381
   32   HG23  THR   4          HG23      THR   4  -2.840  -3.639   1.932
   33    H    ILE   5           H        ILE   5  -3.732  -0.213   0.224
   34    HA   ILE   5           HA       ILE   5  -1.795  -1.742  -1.175
   35    HB   ILE   5           HB       ILE   5  -3.427   0.595  -2.173
   36   HG12  ILE   5          HG12      ILE   5  -4.006  -2.348  -2.512
   37   HG13  ILE   5          HG13      ILE   5  -4.686  -1.390  -1.201
   38   HG21  ILE   5          HG21      ILE   5  -1.371  -0.982  -3.401
   39   HG22  ILE   5          HG22      ILE   5  -2.907  -1.242  -4.228
   40   HG23  ILE   5          HG23      ILE   5  -2.264   0.392  -4.052
   41   HD11  ILE   5          HD11      ILE   5  -5.144  -0.029  -3.656
   42   HD12  ILE   5          HD12      ILE   5  -5.657  -1.708  -3.825
   43   HD13  ILE   5          HD13      ILE   5  -6.314  -0.712  -2.526
   44    H    LEU   6           H        LEU   6  -2.126   1.789  -0.773
   45    HA   LEU   6           HA       LEU   6   0.293   2.487  -1.978
   46    HB2  LEU   6           HB2      LEU   6  -1.300   3.865   0.174
   47    HB3  LEU   6           HB3      LEU   6   0.091   4.592  -0.628
   48    HG   LEU   6           HG       LEU   6  -2.528   3.823  -1.913
   49   HD11  LEU   6          HD11      LEU   6  -3.098   6.027  -1.902
   50   HD12  LEU   6          HD12      LEU   6  -2.148   5.972  -0.417
   51   HD13  LEU   6          HD13      LEU   6  -1.422   6.577  -1.907
   52   HD21  LEU   6          HD21      LEU   6   0.124   4.395  -3.030
   53   HD22  LEU   6          HD22      LEU   6  -1.261   3.574  -3.749
   54   HD23  LEU   6          HD23      LEU   6  -1.191   5.336  -3.731
   55    H    GLY   7           H        GLY   7  -0.458   1.719   1.397
   56    HA2  GLY   7           HA2      GLY   7   2.088   2.340   2.453
   57    HA3  GLY   7           HA3      GLY   7   0.900   1.280   3.196
   58    H    LEU   8           H        LEU   8   0.721  -0.707   1.256
   59    HA   LEU   8           HA       LEU   8   2.785  -2.418   1.956
   60    HB2  LEU   8           HB2      LEU   8   0.659  -3.186   1.062
   61    HB3  LEU   8           HB3      LEU   8   1.046  -2.480  -0.506
   62    HG   LEU   8           HG       LEU   8   3.007  -4.091  -0.586
   63   HD11  LEU   8          HD11      LEU   8   3.447  -5.188   1.299
   64   HD12  LEU   8          HD12      LEU   8   1.887  -4.762   2.003
   65   HD13  LEU   8          HD13      LEU   8   2.024  -6.167   0.947
   66   HD21  LEU   8          HD21      LEU   8   1.665  -5.864  -1.463
   67   HD22  LEU   8          HD22      LEU   8   0.270  -5.349  -0.514
   68   HD23  LEU   8          HD23      LEU   8   0.858  -4.339  -1.833
   69    H    LEU   9           H        LEU   9   2.494  -0.272  -0.826
   70    HA   LEU   9           HA       LEU   9   4.642  -1.172  -2.342
   71    HB2  LEU   9           HB2      LEU   9   2.836   0.715  -2.719
   72    HB3  LEU   9           HB3      LEU   9   4.133   1.753  -2.130
   73    HG   LEU   9           HG       LEU   9   4.131   1.757  -4.535
   74   HD11  LEU   9          HD11      LEU   9   6.389   1.386  -4.893
   75   HD12  LEU   9          HD12      LEU   9   6.302   1.609  -3.145
   76   HD13  LEU   9          HD13      LEU   9   6.433  -0.015  -3.822
   77   HD21  LEU   9          HD21      LEU   9   3.602  -0.021  -5.755
   78   HD22  LEU   9          HD22      LEU   9   4.941  -0.942  -5.071
   79   HD23  LEU   9          HD23      LEU   9   3.375  -0.931  -4.261
   80    H    LYS  10           H        LYS  10   4.596   1.308   0.206
   81    HA   LYS  10           HA       LYS  10   7.389   1.818   0.095
   82    HB2  LYS  10           HB2      LYS  10   5.620   3.358   1.036
   83    HB3  LYS  10           HB3      LYS  10   5.555   2.305   2.444
   84    HG2  LYS  10           HG2      LYS  10   8.010   2.728   2.749
   85    HG3  LYS  10           HG3      LYS  10   7.878   3.959   1.491
   86    HD2  LYS  10           HD2      LYS  10   7.685   5.083   3.575
   87    HD3  LYS  10           HD3      LYS  10   6.063   5.023   2.876
   88    HE2  LYS  10           HE2      LYS  10   5.314   3.484   4.411
   89    HE3  LYS  10           HE3      LYS  10   6.928   2.842   4.715
   90    HZ1  LYS  10          1HZ       LYS  10   6.171   4.089   6.608
   91    HZ2  LYS  10          2HZ       LYS  10   7.458   4.916   5.884
   92    HZ3  LYS  10          3HZ       LYS  10   5.870   5.453   5.654
   93    H    GLY  11           H        GLY  11   5.361  -0.175   2.224
   94    HA2  GLY  11           HA2      GLY  11   7.302  -1.015   4.026
   95    HA3  GLY  11           HA3      GLY  11   5.891  -1.958   3.569
   96    H    LEU  12           H        LEU  12   6.514  -2.326   0.837
   97    HA   LEU  12           HA       LEU  12   8.387  -4.494   1.084
   98    HB2  LEU  12           HB2      LEU  12   6.224  -4.362  -0.332
   99    HB3  LEU  12           HB3      LEU  12   7.240  -3.529  -1.508
  100    HG   LEU  12           HG       LEU  12   8.758  -5.634  -1.284
  101   HD11  LEU  12          HD11      LEU  12   7.901  -6.936   0.382
  102   HD12  LEU  12          HD12      LEU  12   6.235  -6.460   0.052
  103   HD13  LEU  12          HD13      LEU  12   7.045  -7.622  -1.000
  104   HD21  LEU  12          HD21      LEU  12   6.528  -6.620  -2.757
  105   HD22  LEU  12          HD22      LEU  12   6.639  -4.877  -2.997
  106   HD23  LEU  12          HD23      LEU  12   8.024  -5.905  -3.359
  107    HN1  NH2  13           HN1      NH2  13   8.213  -1.708  -1.143
  108    HN2  NH2  13           HN2      NH2  13   9.893  -1.491  -1.362
  Start of MODEL   15
    1    H1   ILE   1           H        ILE   1  -9.304  -0.371   2.722
    2    HA   ILE   1           HA       ILE   1  -7.840  -2.295   1.113
    3    HB   ILE   1           HB       ILE   1 -10.061  -0.448   0.238
    4   HG12  ILE   1          HG12      ILE   1 -10.833  -1.848   2.085
    5   HG13  ILE   1          HG13      ILE   1 -11.558  -2.382   0.572
    6   HG21  ILE   1          HG21      ILE   1  -8.981  -2.998  -0.957
    7   HG22  ILE   1          HG22      ILE   1 -10.356  -2.079  -1.567
    8   HG23  ILE   1          HG23      ILE   1  -8.742  -1.369  -1.589
    9   HD11  ILE   1          HD11      ILE   1  -9.171  -3.842   0.913
   10   HD12  ILE   1          HD12      ILE   1 -10.037  -3.872   2.449
   11   HD13  ILE   1          HD13      ILE   1 -10.834  -4.426   0.977
   12    H    LEU   2           H        LEU   2  -8.824   1.079   0.495
   13    HA   LEU   2           HA       LEU   2  -6.958   1.585  -1.503
   14    HB2  LEU   2           HB2      LEU   2  -8.917   2.992  -1.007
   15    HB3  LEU   2           HB3      LEU   2  -8.121   3.554   0.462
   16    HG   LEU   2           HG       LEU   2  -6.276   4.408  -1.119
   17   HD11  LEU   2          HD11      LEU   2  -8.019   3.219  -3.006
   18   HD12  LEU   2          HD12      LEU   2  -8.058   4.964  -3.260
   19   HD13  LEU   2          HD13      LEU   2  -6.520   4.102  -3.298
   20   HD21  LEU   2          HD21      LEU   2  -7.597   6.479  -1.581
   21   HD22  LEU   2          HD22      LEU   2  -9.026   5.630  -0.990
   22   HD23  LEU   2          HD23      LEU   2  -7.665   5.925   0.092
   23    H    GLY   3           H        GLY   3  -6.679   1.881   1.995
   24    HA2  GLY   3           HA2      GLY   3  -4.101   3.153   1.893
   25    HA3  GLY   3           HA3      GLY   3  -4.900   2.525   3.327
   26    H    THR   4           H        THR   4  -5.277  -0.140   2.303
   27    HA   THR   4           HA       THR   4  -2.991  -1.392   3.220
   28    HB   THR   4           HB       THR   4  -4.730  -2.671   1.125
   29    HG1  THR   4           HG1      THR   4  -6.329  -2.909   2.597
   30   HG21  THR   4          HG21      THR   4  -2.929  -3.561   3.299
   31   HG22  THR   4          HG22      THR   4  -4.405  -4.497   3.066
   32   HG23  THR   4          HG23      THR   4  -3.267  -4.299   1.733
   33    H    ILE   5           H        ILE   5  -3.978  -1.011  -0.188
   34    HA   ILE   5           HA       ILE   5  -1.723  -2.114  -1.367
   35    HB   ILE   5           HB       ILE   5  -2.259  -0.579  -3.323
   36   HG12  ILE   5          HG12      ILE   5  -4.651   0.125  -1.612
   37   HG13  ILE   5          HG13      ILE   5  -3.283   1.202  -1.874
   38   HG21  ILE   5          HG21      ILE   5  -3.433  -2.893  -2.430
   39   HG22  ILE   5          HG22      ILE   5  -4.817  -1.847  -2.740
   40   HG23  ILE   5          HG23      ILE   5  -3.654  -2.176  -4.026
   41   HD11  ILE   5          HD11      ILE   5  -4.484   0.153  -4.327
   42   HD12  ILE   5          HD12      ILE   5  -5.549   1.172  -3.358
   43   HD13  ILE   5          HD13      ILE   5  -3.992   1.794  -3.907
   44    H    LEU   6           H        LEU   6  -2.234   1.104  -0.070
   45    HA   LEU   6           HA       LEU   6   0.086   2.300  -1.172
   46    HB2  LEU   6           HB2      LEU   6  -2.029   3.326  -0.001
   47    HB3  LEU   6           HB3      LEU   6  -1.036   3.174   1.448
   48    HG   LEU   6           HG       LEU   6   0.114   4.569  -0.920
   49   HD11  LEU   6          HD11      LEU   6  -2.246   5.414  -0.546
   50   HD12  LEU   6          HD12      LEU   6  -1.684   5.991   1.023
   51   HD13  LEU   6          HD13      LEU   6  -0.955   6.613  -0.458
   52   HD21  LEU   6          HD21      LEU   6   0.341   4.803   2.072
   53   HD22  LEU   6          HD22      LEU   6   1.572   4.274   0.925
   54   HD23  LEU   6          HD23      LEU   6   1.061   5.961   0.954
   55    H    GLY   7           H        GLY   7  -0.574   0.765   1.962
   56    HA2  GLY   7           HA2      GLY   7   1.912   1.244   3.154
   57    HA3  GLY   7           HA3      GLY   7   0.838  -0.087   3.556
   58    H    LEU   8           H        LEU   8   0.863  -1.390   1.042
   59    HA   LEU   8           HA       LEU   8   3.096  -3.045   1.326
   60    HB2  LEU   8           HB2      LEU   8   1.269  -2.616  -1.029
   61    HB3  LEU   8           HB3      LEU   8   2.470  -3.902  -0.938
   62    HG   LEU   8           HG       LEU   8   0.142  -3.588   0.955
   63   HD11  LEU   8          HD11      LEU   8  -0.051  -4.313  -1.654
   64   HD12  LEU   8          HD12      LEU   8   0.227  -5.874  -0.878
   65   HD13  LEU   8          HD13      LEU   8  -1.131  -4.868  -0.374
   66   HD21  LEU   8          HD21      LEU   8   2.535  -5.207   0.979
   67   HD22  LEU   8          HD22      LEU   8   1.299  -5.002   2.222
   68   HD23  LEU   8          HD23      LEU   8   1.081  -6.206   0.951
   69    H    LEU   9           H        LEU   9   2.536  -0.264  -0.765
   70    HA   LEU   9           HA       LEU   9   4.755  -0.501  -2.436
   71    HB2  LEU   9           HB2      LEU   9   3.330   1.943  -1.403
   72    HB3  LEU   9           HB3      LEU   9   4.571   1.991  -2.655
   73    HG   LEU   9           HG       LEU   9   1.957   0.504  -2.888
   74   HD11  LEU   9          HD11      LEU   9   1.659   2.952  -2.760
   75   HD12  LEU   9          HD12      LEU   9   2.762   3.133  -4.124
   76   HD13  LEU   9          HD13      LEU   9   1.228   2.288  -4.335
   77   HD21  LEU   9          HD21      LEU   9   4.324   0.884  -4.664
   78   HD22  LEU   9          HD22      LEU   9   3.352  -0.559  -4.374
   79   HD23  LEU   9          HD23      LEU   9   2.719   0.744  -5.379
   80    H    LYS  10           H        LYS  10   4.440   1.204   0.668
   81    HA   LYS  10           HA       LYS  10   7.158   2.045   0.744
   82    HB2  LYS  10           HB2      LYS  10   5.107   1.795   2.952
   83    HB3  LYS  10           HB3      LYS  10   6.672   2.581   3.124
   84    HG2  LYS  10           HG2      LYS  10   4.815   3.488   0.976
   85    HG3  LYS  10           HG3      LYS  10   4.526   3.983   2.646
   86    HD2  LYS  10           HD2      LYS  10   5.867   5.701   1.933
   87    HD3  LYS  10           HD3      LYS  10   7.088   4.590   2.559
   88    HE2  LYS  10           HE2      LYS  10   7.762   3.939   0.438
   89    HE3  LYS  10           HE3      LYS  10   6.246   4.442  -0.308
   90    HZ1  LYS  10          1HZ       LYS  10   7.576   6.143  -0.960
   91    HZ2  LYS  10          2HZ       LYS  10   7.085   6.780   0.528
   92    HZ3  LYS  10          3HZ       LYS  10   8.596   6.034   0.385
   93    H    GLY  11           H        GLY  11   5.379  -0.561   2.396
   94    HA2  GLY  11           HA2      GLY  11   7.455  -1.614   3.902
   95    HA3  GLY  11           HA3      GLY  11   6.107  -2.552   3.275
   96    H    LEU  12           H        LEU  12   6.469  -2.608   0.624
   97    HA   LEU  12           HA       LEU  12   9.146  -3.797   0.301
   98    HB2  LEU  12           HB2      LEU  12   6.447  -4.714  -0.571
   99    HB3  LEU  12           HB3      LEU  12   7.850  -5.129  -1.552
  100    HG   LEU  12           HG       LEU  12   7.272  -6.953  -0.060
  101   HD11  LEU  12          HD11      LEU  12   9.723  -6.122  -0.554
  102   HD12  LEU  12          HD12      LEU  12   9.732  -5.844   1.188
  103   HD13  LEU  12          HD13      LEU  12   9.412  -7.458   0.555
  104   HD21  LEU  12          HD21      LEU  12   6.385  -5.192   1.693
  105   HD22  LEU  12          HD22      LEU  12   6.965  -6.779   2.197
  106   HD23  LEU  12          HD23      LEU  12   8.013  -5.369   2.345
  107    HN1  NH2  13           HN1      NH2  13  10.340  -2.468  -0.900
  108    HN2  NH2  13           HN2      NH2  13   9.880  -1.653  -2.327
  Start of MODEL   16
    1    H1   ILE   1           H        ILE   1  -9.290  -0.107   2.850
    2    HA   ILE   1           HA       ILE   1  -8.027  -2.227   1.284
    3    HB   ILE   1           HB       ILE   1 -10.284  -0.365   0.532
    4   HG12  ILE   1          HG12      ILE   1 -11.468  -2.743   0.658
    5   HG13  ILE   1          HG13      ILE   1 -10.175  -3.060   1.808
    6   HG21  ILE   1          HG21      ILE   1  -9.466  -0.993  -1.513
    7   HG22  ILE   1          HG22      ILE   1  -8.845  -2.531  -0.915
    8   HG23  ILE   1          HG23      ILE   1 -10.574  -2.328  -1.193
    9   HD11  ILE   1          HD11      ILE   1 -11.491  -0.522   2.291
   10   HD12  ILE   1          HD12      ILE   1 -12.598  -1.893   2.361
   11   HD13  ILE   1          HD13      ILE   1 -11.167  -1.862   3.392
   12    H    LEU   2           H        LEU   2  -8.961   1.132   0.533
   13    HA   LEU   2           HA       LEU   2  -7.101   1.474  -1.525
   14    HB2  LEU   2           HB2      LEU   2  -8.623   3.371   0.219
   15    HB3  LEU   2           HB3      LEU   2  -7.442   3.973  -0.942
   16    HG   LEU   2           HG       LEU   2  -9.763   2.227  -1.734
   17   HD11  LEU   2          HD11      LEU   2 -10.960   4.220  -2.366
   18   HD12  LEU   2          HD12      LEU   2 -10.573   4.293  -0.648
   19   HD13  LEU   2          HD13      LEU   2  -9.634   5.238  -1.803
   20   HD21  LEU   2          HD21      LEU   2  -7.515   3.479  -3.094
   21   HD22  LEU   2          HD22      LEU   2  -8.599   2.199  -3.637
   22   HD23  LEU   2          HD23      LEU   2  -9.071   3.889  -3.815
   23    H    GLY   3           H        GLY   3  -6.853   2.051   1.940
   24    HA2  GLY   3           HA2      GLY   3  -4.289   3.343   1.762
   25    HA3  GLY   3           HA3      GLY   3  -5.088   2.805   3.232
   26    H    THR   4           H        THR   4  -5.418   0.066   2.337
   27    HA   THR   4           HA       THR   4  -3.128  -1.091   3.376
   28    HB   THR   4           HB       THR   4  -4.976  -2.409   1.380
   29    HG1  THR   4           HG1      THR   4  -5.210  -2.139   4.210
   30   HG21  THR   4          HG21      THR   4  -4.390  -4.426   2.832
   31   HG22  THR   4          HG22      THR   4  -3.134  -3.832   1.746
   32   HG23  THR   4          HG23      THR   4  -3.070  -3.443   3.465
   33    H    ILE   5           H        ILE   5  -4.073  -0.995  -0.065
   34    HA   ILE   5           HA       ILE   5  -1.759  -2.100  -1.122
   35    HB   ILE   5           HB       ILE   5  -2.322  -0.750  -3.202
   36   HG12  ILE   5          HG12      ILE   5  -4.766  -0.007  -1.586
   37   HG13  ILE   5          HG13      ILE   5  -3.437   1.099  -1.917
   38   HG21  ILE   5          HG21      ILE   5  -4.146  -2.675  -1.837
   39   HG22  ILE   5          HG22      ILE   5  -4.625  -1.974  -3.383
   40   HG23  ILE   5          HG23      ILE   5  -3.131  -2.902  -3.261
   41   HD11  ILE   5          HD11      ILE   5  -4.146   1.505  -3.993
   42   HD12  ILE   5          HD12      ILE   5  -4.543  -0.187  -4.296
   43   HD13  ILE   5          HD13      ILE   5  -5.679   0.844  -3.426
   44    H    LEU   6           H        LEU   6  -2.414   1.191  -0.098
   45    HA   LEU   6           HA       LEU   6  -0.129   2.388  -1.265
   46    HB2  LEU   6           HB2      LEU   6  -2.210   3.531  -0.369
   47    HB3  LEU   6           HB3      LEU   6  -1.514   3.317   1.236
   48    HG   LEU   6           HG       LEU   6   0.528   4.583   0.164
   49   HD11  LEU   6          HD11      LEU   6  -1.070   6.365  -1.282
   50   HD12  LEU   6          HD12      LEU   6   0.197   5.308  -1.905
   51   HD13  LEU   6          HD13      LEU   6  -1.478   4.758  -1.884
   52   HD21  LEU   6          HD21      LEU   6  -1.274   5.233   1.983
   53   HD22  LEU   6          HD22      LEU   6  -0.148   6.423   1.331
   54   HD23  LEU   6          HD23      LEU   6  -1.800   6.344   0.719
   55    H    GLY   7           H        GLY   7  -0.772   1.128   1.998
   56    HA2  GLY   7           HA2      GLY   7   1.797   1.745   3.032
   57    HA3  GLY   7           HA3      GLY   7   0.649   0.611   3.729
   58    H    LEU   8           H        LEU   8   0.493  -1.074   1.383
   59    HA   LEU   8           HA       LEU   8   2.511  -2.908   1.964
   60    HB2  LEU   8           HB2      LEU   8   0.305  -3.319   0.800
   61    HB3  LEU   8           HB3      LEU   8   1.068  -2.718  -0.669
   62    HG   LEU   8           HG       LEU   8   2.827  -4.602  -0.138
   63   HD11  LEU   8          HD11      LEU   8   1.035  -5.021   1.940
   64   HD12  LEU   8          HD12      LEU   8   0.657  -6.283   0.767
   65   HD13  LEU   8          HD13      LEU   8   2.299  -6.123   1.393
   66   HD21  LEU   8          HD21      LEU   8   1.492  -4.491  -2.157
   67   HD22  LEU   8          HD22      LEU   8   1.510  -6.141  -1.533
   68   HD23  LEU   8          HD23      LEU   8   0.090  -5.123  -1.293
   69    H    LEU   9           H        LEU   9   2.230  -0.685  -0.803
   70    HA   LEU   9           HA       LEU   9   4.546  -1.352  -2.148
   71    HB2  LEU   9           HB2      LEU   9   2.644   0.392  -2.637
   72    HB3  LEU   9           HB3      LEU   9   3.783   1.520  -1.903
   73    HG   LEU   9           HG       LEU   9   4.569  -0.234  -4.213
   74   HD11  LEU   9          HD11      LEU   9   3.436   2.551  -4.413
   75   HD12  LEU   9          HD12      LEU   9   3.983   1.522  -5.736
   76   HD13  LEU   9          HD13      LEU   9   2.548   1.080  -4.811
   77   HD21  LEU   9          HD21      LEU   9   5.861   2.201  -4.347
   78   HD22  LEU   9          HD22      LEU   9   5.795   1.863  -2.618
   79   HD23  LEU   9          HD23      LEU   9   6.533   0.698  -3.715
   80    H    LYS  10           H        LYS  10   4.201   1.296   0.219
   81    HA   LYS  10           HA       LYS  10   6.897   1.977   0.369
   82    HB2  LYS  10           HB2      LYS  10   4.988   3.296   1.306
   83    HB3  LYS  10           HB3      LYS  10   4.890   2.136   2.623
   84    HG2  LYS  10           HG2      LYS  10   6.096   4.019   3.414
   85    HG3  LYS  10           HG3      LYS  10   7.255   2.706   3.193
   86    HD2  LYS  10           HD2      LYS  10   7.861   3.671   0.992
   87    HD3  LYS  10           HD3      LYS  10   6.773   5.022   1.319
   88    HE2  LYS  10           HE2      LYS  10   8.089   5.658   3.248
   89    HE3  LYS  10           HE3      LYS  10   9.130   4.250   3.036
   90    HZ1  LYS  10          1HZ       LYS  10   8.873   6.557   1.185
   91    HZ2  LYS  10          2HZ       LYS  10  10.212   6.173   2.145
   92    HZ3  LYS  10          3HZ       LYS  10   9.779   5.165   0.857
   93    H    GLY  11           H        GLY  11   5.069  -0.502   2.080
   94    HA2  GLY  11           HA2      GLY  11   6.983  -1.177   4.016
   95    HA3  GLY  11           HA3      GLY  11   5.744  -2.257   3.395
   96    H    LEU  12           H        LEU  12   6.354  -2.786   0.894
   97    HA   LEU  12           HA       LEU  12   8.593  -4.503   1.079
   98    HB2  LEU  12           HB2      LEU  12   6.438  -4.542  -0.442
   99    HB3  LEU  12           HB3      LEU  12   7.495  -3.694  -1.567
  100    HG   LEU  12           HG       LEU  12   7.489  -6.036  -2.098
  101   HD11  LEU  12          HD11      LEU  12   9.626  -4.712  -2.215
  102   HD12  LEU  12          HD12      LEU  12  10.085  -5.467  -0.689
  103   HD13  LEU  12          HD13      LEU  12   9.818  -6.462  -2.119
  104   HD21  LEU  12          HD21      LEU  12   8.579  -6.647   0.634
  105   HD22  LEU  12          HD22      LEU  12   6.854  -6.714   0.275
  106   HD23  LEU  12          HD23      LEU  12   7.976  -7.767  -0.587
  107    HN1  NH2  13           HN1      NH2  13   8.057  -1.522  -0.794
  108    HN2  NH2  13           HN2      NH2  13   9.696  -1.122  -1.061
  Start of MODEL   17
    1    H1   ILE   1           H        ILE   1  -9.008  -0.490   3.160
    2    HA   ILE   1           HA       ILE   1  -7.550  -2.064   1.273
    3    HB   ILE   1           HB       ILE   1  -9.910  -0.263   0.724
    4   HG12  ILE   1          HG12      ILE   1 -10.455  -1.811   2.533
    5   HG13  ILE   1          HG13      ILE   1 -11.295  -2.280   1.059
    6   HG21  ILE   1          HG21      ILE   1  -9.374  -0.861  -1.375
    7   HG22  ILE   1          HG22      ILE   1  -8.382  -2.219  -0.844
    8   HG23  ILE   1          HG23      ILE   1 -10.135  -2.391  -0.940
    9   HD11  ILE   1          HD11      ILE   1  -8.768  -3.540   2.094
   10   HD12  ILE   1          HD12      ILE   1 -10.394  -4.200   2.272
   11   HD13  ILE   1          HD13      ILE   1  -9.680  -4.036   0.668
   12    H    LEU   2           H        LEU   2  -8.677   1.313   1.020
   13    HA   LEU   2           HA       LEU   2  -7.063   2.027  -1.128
   14    HB2  LEU   2           HB2      LEU   2  -9.022   3.271   0.032
   15    HB3  LEU   2           HB3      LEU   2  -7.754   3.988   1.023
   16    HG   LEU   2           HG       LEU   2  -6.697   4.833  -1.078
   17   HD11  LEU   2          HD11      LEU   2  -7.381   4.023  -3.025
   18   HD12  LEU   2          HD12      LEU   2  -8.721   3.176  -2.251
   19   HD13  LEU   2          HD13      LEU   2  -8.922   4.845  -2.785
   20   HD21  LEU   2          HD21      LEU   2  -8.113   6.250   0.336
   21   HD22  LEU   2          HD22      LEU   2  -8.265   6.669  -1.370
   22   HD23  LEU   2          HD23      LEU   2  -9.532   5.735  -0.575
   23    H    GLY   3           H        GLY   3  -6.409   2.143   2.341
   24    HA2  GLY   3           HA2      GLY   3  -3.831   3.395   1.977
   25    HA3  GLY   3           HA3      GLY   3  -4.499   2.796   3.488
   26    H    THR   4           H        THR   4  -5.047   0.136   2.458
   27    HA   THR   4           HA       THR   4  -2.742  -1.193   3.200
   28    HB   THR   4           HB       THR   4  -4.826  -2.248   1.279
   29    HG1  THR   4           HG1      THR   4  -5.733  -3.081   3.302
   30   HG21  THR   4          HG21      THR   4  -3.942  -4.269   2.982
   31   HG22  THR   4          HG22      THR   4  -3.543  -4.077   1.276
   32   HG23  THR   4          HG23      THR   4  -2.477  -3.408   2.510
   33    H    ILE   5           H        ILE   5  -3.923  -0.676  -0.127
   34    HA   ILE   5           HA       ILE   5  -1.797  -1.834  -1.481
   35    HB   ILE   5           HB       ILE   5  -2.385  -0.211  -3.349
   36   HG12  ILE   5          HG12      ILE   5  -4.632   0.534  -1.468
   37   HG13  ILE   5          HG13      ILE   5  -3.237   1.561  -1.782
   38   HG21  ILE   5          HG21      ILE   5  -4.051  -1.598  -4.013
   39   HG22  ILE   5          HG22      ILE   5  -3.492  -2.528  -2.623
   40   HG23  ILE   5          HG23      ILE   5  -4.908  -1.487  -2.476
   41   HD11  ILE   5          HD11      ILE   5  -3.988   2.183  -3.813
   42   HD12  ILE   5          HD12      ILE   5  -4.731   0.618  -4.142
   43   HD13  ILE   5          HD13      ILE   5  -5.546   1.778  -3.096
   44    H    LEU   6           H        LEU   6  -2.082   1.357  -0.053
   45    HA   LEU   6           HA       LEU   6   0.306   2.393  -1.245
   46    HB2  LEU   6           HB2      LEU   6  -1.685   3.299   0.736
   47    HB3  LEU   6           HB3      LEU   6  -0.071   3.990   0.889
   48    HG   LEU   6           HG       LEU   6  -1.674   5.376  -0.422
   49   HD11  LEU   6          HD11      LEU   6   0.906   5.245  -0.702
   50   HD12  LEU   6          HD12      LEU   6   0.519   4.495  -2.250
   51   HD13  LEU   6          HD13      LEU   6  -0.059   6.122  -1.889
   52   HD21  LEU   6          HD21      LEU   6  -1.466   3.091  -2.380
   53   HD22  LEU   6          HD22      LEU   6  -2.916   3.614  -1.524
   54   HD23  LEU   6          HD23      LEU   6  -2.174   4.669  -2.728
   55    H    GLY   7           H        GLY   7  -0.513   0.806   1.786
   56    HA2  GLY   7           HA2      GLY   7   1.985   1.288   3.067
   57    HA3  GLY   7           HA3      GLY   7   0.794   0.086   3.540
   58    H    LEU   8           H        LEU   8   0.714  -1.422   1.174
   59    HA   LEU   8           HA       LEU   8   2.788  -3.230   1.589
   60    HB2  LEU   8           HB2      LEU   8   0.592  -3.650   0.441
   61    HB3  LEU   8           HB3      LEU   8   1.274  -2.880  -0.990
   62    HG   LEU   8           HG       LEU   8   3.123  -4.703  -0.752
   63   HD11  LEU   8          HD11      LEU   8   1.974  -6.841   0.096
   64   HD12  LEU   8          HD12      LEU   8   2.647  -5.723   1.283
   65   HD13  LEU   8          HD13      LEU   8   0.911  -5.744   0.977
   66   HD21  LEU   8          HD21      LEU   8   0.351  -4.979  -1.830
   67   HD22  LEU   8          HD22      LEU   8   1.877  -4.782  -2.692
   68   HD23  LEU   8          HD23      LEU   8   1.479  -6.331  -1.946
   69    H    LEU   9           H        LEU   9   2.525  -0.545  -0.672
   70    HA   LEU   9           HA       LEU   9   4.897  -1.168  -2.125
   71    HB2  LEU   9           HB2      LEU   9   3.163   1.266  -1.889
   72    HB3  LEU   9           HB3      LEU   9   4.675   1.308  -2.795
   73    HG   LEU   9           HG       LEU   9   2.517  -0.688  -3.416
   74   HD11  LEU   9          HD11      LEU   9   2.677   2.198  -4.127
   75   HD12  LEU   9          HD12      LEU   9   2.095   1.054  -5.336
   76   HD13  LEU   9          HD13      LEU   9   1.269   1.193  -3.784
   77   HD21  LEU   9          HD21      LEU   9   3.622  -0.489  -5.680
   78   HD22  LEU   9          HD22      LEU   9   4.901   0.423  -4.877
   79   HD23  LEU   9          HD23      LEU   9   4.585  -1.249  -4.413
   80    H    LYS  10           H        LYS  10   4.164   1.313   0.327
   81    HA   LYS  10           HA       LYS  10   6.701   2.399   0.572
   82    HB2  LYS  10           HB2      LYS  10   4.396   2.126   2.472
   83    HB3  LYS  10           HB3      LYS  10   5.917   2.814   3.028
   84    HG2  LYS  10           HG2      LYS  10   4.515   3.866   0.597
   85    HG3  LYS  10           HG3      LYS  10   4.106   4.417   2.223
   86    HD2  LYS  10           HD2      LYS  10   6.965   4.409   1.378
   87    HD3  LYS  10           HD3      LYS  10   5.900   5.682   0.776
   88    HE2  LYS  10           HE2      LYS  10   5.608   6.604   2.850
   89    HE3  LYS  10           HE3      LYS  10   5.854   5.071   3.686
   90    HZ1  LYS  10          1HZ       LYS  10   8.107   6.314   2.264
   91    HZ2  LYS  10          2HZ       LYS  10   7.661   6.912   3.784
   92    HZ3  LYS  10          3HZ       LYS  10   8.121   5.293   3.614
   93    H    GLY  11           H        GLY  11   5.265  -0.253   2.475
   94    HA2  GLY  11           HA2      GLY  11   7.604  -0.776   3.986
   95    HA3  GLY  11           HA3      GLY  11   6.239  -1.865   3.790
   96    H    LEU  12           H        LEU  12   6.252  -2.389   1.117
   97    HA   LEU  12           HA       LEU  12   8.919  -3.548   0.646
   98    HB2  LEU  12           HB2      LEU  12   6.996  -5.114   1.386
   99    HB3  LEU  12           HB3      LEU  12   6.394  -4.884  -0.253
  100    HG   LEU  12           HG       LEU  12   8.530  -5.793  -1.121
  101   HD11  LEU  12          HD11      LEU  12   9.080  -6.351   1.791
  102   HD12  LEU  12          HD12      LEU  12  10.011  -6.984   0.433
  103   HD13  LEU  12          HD13      LEU  12   9.977  -5.249   0.744
  104   HD21  LEU  12          HD21      LEU  12   7.872  -8.055   0.477
  105   HD22  LEU  12          HD22      LEU  12   6.390  -7.168   0.120
  106   HD23  LEU  12          HD23      LEU  12   7.428  -7.717  -1.196
  107    HN1  NH2  13           HN1      NH2  13   9.608  -2.061  -0.843
  108    HN2  NH2  13           HN2      NH2  13   8.903  -1.788  -2.374
  Start of MODEL   18
    1    H1   ILE   1           H        ILE   1  -8.059  -2.864  -0.251
    2    HA   ILE   1           HA       ILE   1  -9.155  -0.219  -0.027
    3    HB   ILE   1           HB       ILE   1  -7.414  -1.718   1.934
    4   HG12  ILE   1          HG12      ILE   1  -9.471  -2.952   1.402
    5   HG13  ILE   1          HG13      ILE   1  -9.516  -2.323   3.047
    6   HG21  ILE   1          HG21      ILE   1  -8.657   0.925   1.942
    7   HG22  ILE   1          HG22      ILE   1  -9.037  -0.046   3.366
    8   HG23  ILE   1          HG23      ILE   1  -7.356   0.278   2.943
    9   HD11  ILE   1          HD11      ILE   1 -10.852  -1.018   0.690
   10   HD12  ILE   1          HD12      ILE   1 -11.652  -2.097   1.831
   11   HD13  ILE   1          HD13      ILE   1 -10.995  -0.557   2.386
   12    H    LEU   2           H        LEU   2  -8.138   1.695  -0.156
   13    HA   LEU   2           HA       LEU   2  -5.734   2.019  -1.475
   14    HB2  LEU   2           HB2      LEU   2  -7.022   3.899   0.497
   15    HB3  LEU   2           HB3      LEU   2  -5.765   4.338  -0.658
   16    HG   LEU   2           HG       LEU   2  -8.349   3.201  -1.642
   17   HD11  LEU   2          HD11      LEU   2  -8.196   5.524  -0.050
   18   HD12  LEU   2          HD12      LEU   2  -8.415   6.050  -1.719
   19   HD13  LEU   2          HD13      LEU   2  -9.566   4.931  -0.989
   20   HD21  LEU   2          HD21      LEU   2  -6.818   5.413  -2.912
   21   HD22  LEU   2          HD22      LEU   2  -6.148   3.783  -2.972
   22   HD23  LEU   2          HD23      LEU   2  -7.743   4.106  -3.652
   23    H    GLY   3           H        GLY   3  -6.353   1.723   1.977
   24    HA2  GLY   3           HA2      GLY   3  -3.780   2.475   2.876
   25    HA3  GLY   3           HA3      GLY   3  -4.938   1.503   3.772
   26    H    THR   4           H        THR   4  -5.101  -0.596   1.789
   27    HA   THR   4           HA       THR   4  -2.937  -2.201   2.684
   28    HB   THR   4           HB       THR   4  -4.877  -2.767   0.434
   29    HG1  THR   4           HG1      THR   4  -6.121  -3.751   2.023
   30   HG21  THR   4          HG21      THR   4  -3.507  -4.522   0.117
   31   HG22  THR   4          HG22      THR   4  -2.693  -4.286   1.664
   32   HG23  THR   4          HG23      THR   4  -4.225  -5.157   1.597
   33    H    ILE   5           H        ILE   5  -3.825  -1.177  -0.619
   34    HA   ILE   5           HA       ILE   5  -1.530  -2.059  -1.903
   35    HB   ILE   5           HB       ILE   5  -2.022  -0.215  -3.584
   36   HG12  ILE   5          HG12      ILE   5  -4.465   0.181  -1.850
   37   HG13  ILE   5          HG13      ILE   5  -3.100   1.291  -1.885
   38   HG21  ILE   5          HG21      ILE   5  -4.277  -1.277  -4.181
   39   HG22  ILE   5          HG22      ILE   5  -2.868  -2.333  -4.084
   40   HG23  ILE   5          HG23      ILE   5  -4.027  -2.285  -2.755
   41   HD11  ILE   5          HD11      ILE   5  -3.847   2.277  -3.722
   42   HD12  ILE   5          HD12      ILE   5  -4.100   0.735  -4.538
   43   HD13  ILE   5          HD13      ILE   5  -5.350   1.386  -3.478
   44    H    LEU   6           H        LEU   6  -2.100   0.891  -0.093
   45    HA   LEU   6           HA       LEU   6   0.311   2.190  -0.900
   46    HB2  LEU   6           HB2      LEU   6  -1.537   3.510  -0.133
   47    HB3  LEU   6           HB3      LEU   6  -1.565   2.656   1.409
   48    HG   LEU   6           HG       LEU   6   0.699   3.640   1.881
   49   HD11  LEU   6          HD11      LEU   6   1.133   5.773   0.545
   50   HD12  LEU   6          HD12      LEU   6   1.541   4.236  -0.216
   51   HD13  LEU   6          HD13      LEU   6   0.061   5.081  -0.672
   52   HD21  LEU   6          HD21      LEU   6  -0.753   4.826   3.115
   53   HD22  LEU   6          HD22      LEU   6  -0.481   6.089   1.916
   54   HD23  LEU   6          HD23      LEU   6  -1.882   5.029   1.776
   55    H    GLY   7           H        GLY   7  -0.681   0.400   2.008
   56    HA2  GLY   7           HA2      GLY   7   1.682   0.687   3.469
   57    HA3  GLY   7           HA3      GLY   7   0.555  -0.653   3.628
   58    H    LEU   8           H        LEU   8   0.725  -2.097   1.453
   59    HA   LEU   8           HA       LEU   8   3.115  -3.505   1.677
   60    HB2  LEU   8           HB2      LEU   8   0.876  -3.465  -0.276
   61    HB3  LEU   8           HB3      LEU   8   2.353  -4.313  -0.730
   62    HG   LEU   8           HG       LEU   8   0.613  -5.793   0.218
   63   HD11  LEU   8          HD11      LEU   8   2.190  -7.135   1.066
   64   HD12  LEU   8          HD12      LEU   8   3.303  -5.833   0.644
   65   HD13  LEU   8          HD13      LEU   8   2.675  -5.958   2.287
   66   HD21  LEU   8          HD21      LEU   8   0.230  -5.694   2.669
   67   HD22  LEU   8          HD22      LEU   8   1.071  -4.144   2.699
   68   HD23  LEU   8          HD23      LEU   8  -0.433  -4.314   1.794
   69    H    LEU   9           H        LEU   9   2.088  -1.303  -0.932
   70    HA   LEU   9           HA       LEU   9   4.380  -1.408  -2.482
   71    HB2  LEU   9           HB2      LEU   9   2.289  -0.305  -3.147
   72    HB3  LEU   9           HB3      LEU   9   2.610   0.983  -1.988
   73    HG   LEU   9           HG       LEU   9   4.783   1.334  -3.366
   74   HD11  LEU   9          HD11      LEU   9   3.698   0.739  -5.855
   75   HD12  LEU   9          HD12      LEU   9   5.062  -0.059  -5.073
   76   HD13  LEU   9          HD13      LEU   9   3.434  -0.713  -4.889
   77   HD21  LEU   9          HD21      LEU   9   3.739   3.042  -4.525
   78   HD22  LEU   9          HD22      LEU   9   2.278   2.097  -4.811
   79   HD23  LEU   9          HD23      LEU   9   2.612   2.741  -3.204
   80    H    LYS  10           H        LYS  10   3.629   0.817   0.188
   81    HA   LYS  10           HA       LYS  10   6.037   2.264   0.093
   82    HB2  LYS  10           HB2      LYS  10   3.850   2.786   1.363
   83    HB3  LYS  10           HB3      LYS  10   4.507   1.763   2.634
   84    HG2  LYS  10           HG2      LYS  10   5.081   3.944   3.247
   85    HG3  LYS  10           HG3      LYS  10   6.560   3.262   2.565
   86    HD2  LYS  10           HD2      LYS  10   6.451   5.362   1.577
   87    HD3  LYS  10           HD3      LYS  10   5.742   4.313   0.348
   88    HE2  LYS  10           HE2      LYS  10   3.494   4.905   1.226
   89    HE3  LYS  10           HE3      LYS  10   4.265   6.047   2.326
   90    HZ1  LYS  10          1HZ       LYS  10   5.074   7.303   0.476
   91    HZ2  LYS  10          2HZ       LYS  10   4.512   6.153  -0.631
   92    HZ3  LYS  10          3HZ       LYS  10   3.411   7.074   0.266
   93    H    GLY  11           H        GLY  11   5.100  -0.612   1.947
   94    HA2  GLY  11           HA2      GLY  11   7.465  -0.831   3.461
   95    HA3  GLY  11           HA3      GLY  11   6.352  -2.145   3.107
   96    H    LEU  12           H        LEU  12   6.561  -2.272   0.345
   97    HA   LEU  12           HA       LEU  12   9.292  -3.309   0.076
   98    HB2  LEU  12           HB2      LEU  12   6.694  -3.945  -1.278
   99    HB3  LEU  12           HB3      LEU  12   8.232  -4.426  -1.992
  100    HG   LEU  12           HG       LEU  12   8.595  -5.502   0.399
  101   HD11  LEU  12          HD11      LEU  12   6.729  -5.008   1.617
  102   HD12  LEU  12          HD12      LEU  12   5.669  -5.009   0.207
  103   HD13  LEU  12          HD13      LEU  12   6.222  -6.535   0.896
  104   HD21  LEU  12          HD21      LEU  12   7.686  -7.604  -0.508
  105   HD22  LEU  12          HD22      LEU  12   6.890  -6.690  -1.788
  106   HD23  LEU  12          HD23      LEU  12   8.651  -6.722  -1.692
  107    HN1  NH2  13           HN1      NH2  13  10.451  -1.513  -0.535
  108    HN2  NH2  13           HN2      NH2  13  10.244  -0.654  -1.996
  Start of MODEL   19
    1    H1   ILE   1           H        ILE   1  -9.192  -2.360   0.920
    2    HA   ILE   1           HA       ILE   1  -9.724   0.425   0.750
    3    HB   ILE   1           HB       ILE   1  -7.608  -0.954   2.404
    4   HG12  ILE   1          HG12      ILE   1 -10.439  -0.235   3.185
    5   HG13  ILE   1          HG13      ILE   1  -9.923  -1.855   2.732
    6   HG21  ILE   1          HG21      ILE   1  -7.035   1.167   2.838
    7   HG22  ILE   1          HG22      ILE   1  -8.535   1.808   2.168
    8   HG23  ILE   1          HG23      ILE   1  -8.496   1.201   3.824
    9   HD11  ILE   1          HD11      ILE   1  -9.076  -0.254   5.126
   10   HD12  ILE   1          HD12      ILE   1  -9.977  -1.770   5.090
   11   HD13  ILE   1          HD13      ILE   1  -8.277  -1.743   4.620
   12    H    LEU   2           H        LEU   2  -8.361   2.134   0.242
   13    HA   LEU   2           HA       LEU   2  -6.401   1.570  -1.787
   14    HB2  LEU   2           HB2      LEU   2  -8.097   3.574  -1.519
   15    HB3  LEU   2           HB3      LEU   2  -6.755   4.291  -0.632
   16    HG   LEU   2           HG       LEU   2  -6.356   3.226  -3.405
   17   HD11  LEU   2          HD11      LEU   2  -7.648   5.799  -2.585
   18   HD12  LEU   2          HD12      LEU   2  -6.696   5.694  -4.067
   19   HD13  LEU   2          HD13      LEU   2  -8.116   4.669  -3.856
   20   HD21  LEU   2          HD21      LEU   2  -4.319   4.078  -3.162
   21   HD22  LEU   2          HD22      LEU   2  -4.973   5.643  -2.677
   22   HD23  LEU   2          HD23      LEU   2  -4.705   4.386  -1.470
   23    H    GLY   3           H        GLY   3  -6.386   2.660   1.558
   24    HA2  GLY   3           HA2      GLY   3  -3.640   3.380   1.656
   25    HA3  GLY   3           HA3      GLY   3  -4.668   3.034   3.039
   26    H    THR   4           H        THR   4  -5.355   0.358   2.206
   27    HA   THR   4           HA       THR   4  -3.305  -1.079   3.453
   28    HB   THR   4           HB       THR   4  -4.448  -3.119   2.487
   29    HG1  THR   4           HG1      THR   4  -6.221  -2.830   1.223
   30   HG21  THR   4          HG21      THR   4  -6.072  -1.049   3.963
   31   HG22  THR   4          HG22      THR   4  -6.568  -2.730   3.766
   32   HG23  THR   4          HG23      THR   4  -5.098  -2.345   4.658
   33    H    ILE   5           H        ILE   5  -4.247  -1.195   0.010
   34    HA   ILE   5           HA       ILE   5  -2.126  -2.736  -0.895
   35    HB   ILE   5           HB       ILE   5  -2.506  -1.565  -3.120
   36   HG12  ILE   5          HG12      ILE   5  -4.803  -0.296  -1.618
   37   HG13  ILE   5          HG13      ILE   5  -3.331   0.561  -2.062
   38   HG21  ILE   5          HG21      ILE   5  -4.190  -3.337  -1.612
   39   HG22  ILE   5          HG22      ILE   5  -5.155  -2.376  -2.732
   40   HG23  ILE   5          HG23      ILE   5  -3.812  -3.347  -3.335
   41   HD11  ILE   5          HD11      ILE   5  -5.633  -0.222  -3.700
   42   HD12  ILE   5          HD12      ILE   5  -4.531   1.146  -3.859
   43   HD13  ILE   5          HD13      ILE   5  -4.055  -0.444  -4.456
   44    H    LEU   6           H        LEU   6  -2.290   0.709  -0.257
   45    HA   LEU   6           HA       LEU   6   0.142   1.414  -1.531
   46    HB2  LEU   6           HB2      LEU   6  -1.717   2.687   0.395
   47    HB3  LEU   6           HB3      LEU   6  -0.080   3.336   0.304
   48    HG   LEU   6           HG       LEU   6  -2.017   3.128  -2.002
   49   HD11  LEU   6          HD11      LEU   6  -1.078   5.549  -0.471
   50   HD12  LEU   6          HD12      LEU   6  -2.187   5.534  -1.843
   51   HD13  LEU   6          HD13      LEU   6  -2.666   4.798  -0.314
   52   HD21  LEU   6          HD21      LEU   6   0.830   3.491  -1.893
   53   HD22  LEU   6          HD22      LEU   6  -0.230   3.367  -3.298
   54   HD23  LEU   6          HD23      LEU   6   0.054   4.936  -2.543
   55    H    GLY   7           H        GLY   7  -0.681   0.516   1.797
   56    HA2  GLY   7           HA2      GLY   7   1.738   1.033   3.048
   57    HA3  GLY   7           HA3      GLY   7   0.636  -0.255   3.512
   58    H    LEU   8           H        LEU   8   0.800  -1.806   1.156
   59    HA   LEU   8           HA       LEU   8   2.977  -3.440   1.723
   60    HB2  LEU   8           HB2      LEU   8   0.908  -4.061   0.457
   61    HB3  LEU   8           HB3      LEU   8   1.585  -3.226  -0.940
   62    HG   LEU   8           HG       LEU   8   3.515  -4.831  -0.841
   63   HD11  LEU   8          HD11      LEU   8   2.903  -7.009   0.357
   64   HD12  LEU   8          HD12      LEU   8   3.501  -5.669   1.336
   65   HD13  LEU   8          HD13      LEU   8   1.774  -6.024   1.289
   66   HD21  LEU   8          HD21      LEU   8   1.230  -5.013  -2.173
   67   HD22  LEU   8          HD22      LEU   8   2.452  -6.284  -2.236
   68   HD23  LEU   8          HD23      LEU   8   1.053  -6.456  -1.174
   69    H    LEU   9           H        LEU   9   2.576  -1.276  -1.086
   70    HA   LEU   9           HA       LEU   9   5.115  -1.594  -2.163
   71    HB2  LEU   9           HB2      LEU   9   3.037   0.525  -2.286
   72    HB3  LEU   9           HB3      LEU   9   4.646   0.913  -2.891
   73    HG   LEU   9           HG       LEU   9   4.492  -0.914  -4.501
   74   HD11  LEU   9          HD11      LEU   9   1.794  -1.364  -3.245
   75   HD12  LEU   9          HD12      LEU   9   2.268  -2.024  -4.810
   76   HD13  LEU   9          HD13      LEU   9   3.140  -2.497  -3.352
   77   HD21  LEU   9          HD21      LEU   9   2.270   0.033  -5.635
   78   HD22  LEU   9          HD22      LEU   9   2.511   1.284  -4.415
   79   HD23  LEU   9          HD23      LEU   9   3.780   0.943  -5.591
   80    H    LYS  10           H        LYS  10   3.978   0.840   0.166
   81    HA   LYS  10           HA       LYS  10   6.314   2.299   0.454
   82    HB2  LYS  10           HB2      LYS  10   4.015   2.745   1.471
   83    HB3  LYS  10           HB3      LYS  10   4.483   1.640   2.757
   84    HG2  LYS  10           HG2      LYS  10   6.080   3.076   3.593
   85    HG3  LYS  10           HG3      LYS  10   6.252   3.941   2.064
   86    HD2  LYS  10           HD2      LYS  10   5.104   5.377   3.592
   87    HD3  LYS  10           HD3      LYS  10   3.932   4.818   2.395
   88    HE2  LYS  10           HE2      LYS  10   3.332   2.997   4.064
   89    HE3  LYS  10           HE3      LYS  10   4.268   3.914   5.244
   90    HZ1  LYS  10          1HZ       LYS  10   1.670   4.279   4.824
   91    HZ2  LYS  10          2HZ       LYS  10   2.698   5.498   5.386
   92    HZ3  LYS  10          3HZ       LYS  10   2.293   5.425   3.746
   93    H    GLY  11           H        GLY  11   5.239  -0.397   2.540
   94    HA2  GLY  11           HA2      GLY  11   7.545  -0.599   4.083
   95    HA3  GLY  11           HA3      GLY  11   6.438  -1.926   3.761
   96    H    LEU  12           H        LEU  12   6.826  -2.026   0.936
   97    HA   LEU  12           HA       LEU  12   9.069  -3.735   0.823
   98    HB2  LEU  12           HB2      LEU  12   6.937  -3.638  -0.650
   99    HB3  LEU  12           HB3      LEU  12   7.856  -2.478  -1.609
  100    HG   LEU  12           HG       LEU  12   9.028  -5.163  -1.016
  101   HD11  LEU  12          HD11      LEU  12   6.539  -4.865  -2.260
  102   HD12  LEU  12          HD12      LEU  12   7.701  -5.119  -3.562
  103   HD13  LEU  12          HD13      LEU  12   7.574  -6.293  -2.252
  104   HD21  LEU  12          HD21      LEU  12  10.486  -3.585  -2.055
  105   HD22  LEU  12          HD22      LEU  12  10.003  -4.756  -3.282
  106   HD23  LEU  12          HD23      LEU  12   9.262  -3.155  -3.249
  107    HN1  NH2  13           HN1      NH2  13   8.528  -0.582  -0.762
  108    HN2  NH2  13           HN2      NH2  13  10.165  -0.115  -0.898
  Start of MODEL   20
    1    H1   ILE   1           H        ILE   1 -10.431  -0.156   0.368
    2    HA   ILE   1           HA       ILE   1  -8.280  -0.467   2.345
    3    HB   ILE   1           HB       ILE   1  -7.480  -2.325   0.926
    4   HG12  ILE   1          HG12      ILE   1 -10.037  -2.421  -0.572
    5   HG13  ILE   1          HG13      ILE   1  -8.880  -1.197  -1.085
    6   HG21  ILE   1          HG21      ILE   1 -10.378  -2.795   1.530
    7   HG22  ILE   1          HG22      ILE   1  -9.013  -3.894   1.719
    8   HG23  ILE   1          HG23      ILE   1  -9.204  -2.529   2.818
    9   HD11  ILE   1          HD11      ILE   1  -7.334  -3.454  -0.842
   10   HD12  ILE   1          HD12      ILE   1  -8.858  -4.069  -1.484
   11   HD13  ILE   1          HD13      ILE   1  -7.989  -2.795  -2.340
   12    H    LEU   2           H        LEU   2  -8.392   1.995   1.125
   13    HA   LEU   2           HA       LEU   2  -6.669   2.072  -1.177
   14    HB2  LEU   2           HB2      LEU   2  -8.498   3.738  -0.571
   15    HB3  LEU   2           HB3      LEU   2  -7.364   4.385   0.613
   16    HG   LEU   2           HG       LEU   2  -5.794   4.901  -1.228
   17   HD11  LEU   2          HD11      LEU   2  -8.071   3.956  -2.961
   18   HD12  LEU   2          HD12      LEU   2  -6.674   4.863  -3.541
   19   HD13  LEU   2          HD13      LEU   2  -6.457   3.255  -2.849
   20   HD21  LEU   2          HD21      LEU   2  -7.835   6.444  -2.346
   21   HD22  LEU   2          HD22      LEU   2  -8.329   6.153  -0.678
   22   HD23  LEU   2          HD23      LEU   2  -6.763   6.889  -1.018
   23    H    GLY   3           H        GLY   3  -6.332   2.590   2.295
   24    HA2  GLY   3           HA2      GLY   3  -3.626   3.527   2.130
   25    HA3  GLY   3           HA3      GLY   3  -4.478   3.048   3.592
   26    H    THR   4           H        THR   4  -5.152   0.405   2.734
   27    HA   THR   4           HA       THR   4  -2.985  -1.041   3.660
   28    HB   THR   4           HB       THR   4  -4.824  -2.325   1.680
   29    HG1  THR   4           HG1      THR   4  -6.424  -2.389   3.364
   30   HG21  THR   4          HG21      THR   4  -3.526  -3.954   2.634
   31   HG22  THR   4          HG22      THR   4  -3.353  -3.079   4.156
   32   HG23  THR   4          HG23      THR   4  -4.858  -3.924   3.791
   33    H    ILE   5           H        ILE   5  -4.054  -0.797   0.262
   34    HA   ILE   5           HA       ILE   5  -1.947  -2.181  -0.894
   35    HB   ILE   5           HB       ILE   5  -2.419  -0.753  -2.946
   36   HG12  ILE   5          HG12      ILE   5  -4.678   0.284  -1.224
   37   HG13  ILE   5          HG13      ILE   5  -3.233   1.214  -1.610
   38   HG21  ILE   5          HG21      ILE   5  -3.534  -2.729  -3.074
   39   HG22  ILE   5          HG22      ILE   5  -4.324  -2.512  -1.512
   40   HG23  ILE   5          HG23      ILE   5  -4.923  -1.651  -2.930
   41   HD11  ILE   5          HD11      ILE   5  -4.087   1.838  -3.550
   42   HD12  ILE   5          HD12      ILE   5  -4.426   0.167  -4.003
   43   HD13  ILE   5          HD13      ILE   5  -5.604   1.081  -3.061
   44    H    LEU   6           H        LEU   6  -2.131   1.158   0.166
   45    HA   LEU   6           HA       LEU   6   0.272   2.023  -1.086
   46    HB2  LEU   6           HB2      LEU   6  -1.530   3.087   1.035
   47    HB3  LEU   6           HB3      LEU   6   0.071   3.800   0.844
   48    HG   LEU   6           HG       LEU   6  -1.963   3.618  -1.374
   49   HD11  LEU   6          HD11      LEU   6  -1.353   5.880   0.520
   50   HD12  LEU   6          HD12      LEU   6  -2.290   6.042  -0.967
   51   HD13  LEU   6          HD13      LEU   6  -2.883   5.021   0.343
   52   HD21  LEU   6          HD21      LEU   6  -0.458   5.495  -2.249
   53   HD22  LEU   6          HD22      LEU   6   0.719   4.929  -1.065
   54   HD23  LEU   6          HD23      LEU   6   0.155   3.844  -2.337
   55    H    GLY   7           H        GLY   7  -0.510   0.818   2.154
   56    HA2  GLY   7           HA2      GLY   7   1.962   1.236   3.375
   57    HA3  GLY   7           HA3      GLY   7   0.827  -0.032   3.813
   58    H    LEU   8           H        LEU   8   0.813  -1.650   1.634
   59    HA   LEU   8           HA       LEU   8   3.034  -3.261   1.984
   60    HB2  LEU   8           HB2      LEU   8   0.789  -3.787   0.881
   61    HB3  LEU   8           HB3      LEU   8   1.502  -3.142  -0.596
   62    HG   LEU   8           HG       LEU   8   3.236  -4.882  -0.502
   63   HD11  LEU   8          HD11      LEU   8   2.349  -6.814   1.175
   64   HD12  LEU   8          HD12      LEU   8   3.641  -5.677   1.557
   65   HD13  LEU   8          HD13      LEU   8   1.998  -5.364   2.115
   66   HD21  LEU   8          HD21      LEU   8   1.145  -5.237  -1.757
   67   HD22  LEU   8          HD22      LEU   8   1.825  -6.741  -1.135
   68   HD23  LEU   8          HD23      LEU   8   0.441  -6.001  -0.331
   69    H    LEU   9           H        LEU   9   2.409  -0.930  -0.629
   70    HA   LEU   9           HA       LEU   9   4.758  -1.344  -2.076
   71    HB2  LEU   9           HB2      LEU   9   3.121   1.162  -1.735
   72    HB3  LEU   9           HB3      LEU   9   4.391   0.957  -2.939
   73    HG   LEU   9           HG       LEU   9   1.773  -0.533  -2.799
   74   HD11  LEU   9          HD11      LEU   9   2.616   1.011  -5.171
   75   HD12  LEU   9          HD12      LEU   9   1.016   0.800  -4.459
   76   HD13  LEU   9          HD13      LEU   9   2.156   1.941  -3.745
   77   HD21  LEU   9          HD21      LEU   9   3.107  -2.168  -3.675
   78   HD22  LEU   9          HD22      LEU   9   2.721  -1.275  -5.146
   79   HD23  LEU   9          HD23      LEU   9   4.269  -1.020  -4.340
   80    H    LYS  10           H        LYS  10   4.085   0.851   0.619
   81    HA   LYS  10           HA       LYS  10   6.582   2.158   0.623
   82    HB2  LYS  10           HB2      LYS  10   4.499   1.726   2.757
   83    HB3  LYS  10           HB3      LYS  10   5.974   2.635   3.063
   84    HG2  LYS  10           HG2      LYS  10   5.238   3.987   0.957
   85    HG3  LYS  10           HG3      LYS  10   3.646   3.324   1.334
   86    HD2  LYS  10           HD2      LYS  10   3.637   5.319   2.509
   87    HD3  LYS  10           HD3      LYS  10   4.155   4.165   3.741
   88    HE2  LYS  10           HE2      LYS  10   5.605   6.014   3.943
   89    HE3  LYS  10           HE3      LYS  10   6.532   4.769   3.108
   90    HZ1  LYS  10          1HZ       LYS  10   6.926   6.280   1.551
   91    HZ2  LYS  10          2HZ       LYS  10   5.290   6.213   1.125
   92    HZ3  LYS  10          3HZ       LYS  10   5.829   7.377   2.226
   93    H    GLY  11           H        GLY  11   5.381  -0.534   2.635
   94    HA2  GLY  11           HA2      GLY  11   7.768  -0.985   4.035
   95    HA3  GLY  11           HA3      GLY  11   6.500  -2.176   3.782
   96    H    LEU  12           H        LEU  12   6.567  -2.490   1.048
   97    HA   LEU  12           HA       LEU  12   8.742  -4.262   0.734
   98    HB2  LEU  12           HB2      LEU  12   6.541  -4.486  -0.385
   99    HB3  LEU  12           HB3      LEU  12   6.957  -3.108  -1.403
  100    HG   LEU  12           HG       LEU  12   8.811  -4.398  -2.370
  101   HD11  LEU  12          HD11      LEU  12   9.386  -5.859  -0.575
  102   HD12  LEU  12          HD12      LEU  12   7.777  -6.579  -0.570
  103   HD13  LEU  12          HD13      LEU  12   8.861  -6.857  -1.932
  104   HD21  LEU  12          HD21      LEU  12   6.554  -4.409  -3.390
  105   HD22  LEU  12          HD22      LEU  12   7.472  -5.878  -3.717
  106   HD23  LEU  12          HD23      LEU  12   6.194  -5.889  -2.502
  107    HN1  NH2  13           HN1      NH2  13   8.005  -1.236  -1.012
  108    HN2  NH2  13           HN2      NH2  13   9.609  -0.816  -1.419