*HEADER    ANTIMICROBIAL PROTEIN                   27-AUG-13   2MCX              
*TITLE     SOLID-STATE NMR STRUCTURE OF PISCIDIN 3 IN ALIGNED 1:1                
*TITLE    2 PHOSPHATIDYLETHANOLAMINE/PHOSPHOGLYCEROL LIPID BILAYERS              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PISCIDIN-3;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: MORONE CHRYSOPS X MORONE SAXATILIS;             
*SOURCE   4 ORGANISM_COMMON: WHITE BASS X STRIPED BASS;                          
*SOURCE   5 ORGANISM_TAXID: 45352;                                               
*SOURCE   6 OTHER_DETAILS: SYNTHETIC CONSTRUCT                                   
*KEYWDS    ANTIMICROBIAL PEPTIDE, CATIONIC, AMPHIPATHIC, HISTIDINE RICH,         
*KEYWDS   2 HELICAL, LIPID BILAYERS, BACTERIAL CELL MEMBRANE MIMIC,              
*KEYWDS   3 ANTIMICROBIAL PROTEIN                                                
*EXPDTA    SOLID-STATE NMR                                                       
*NUMMDL    10                                                                    
*AUTHOR    R.FU, Y.TIAN, B.S.PERRIN JR., C.V.GRANT, R.W.PASTOR, M.L.COTTEN       
*REVDAT   1   22-JAN-14 2MCX    0                                                


seq res N
1 PHE n/a
2 ILE 82.0
3 HIS 62.5
4 HIS 71.5
5 ILE 51.3
6 PHE 67.4
7 ARG 41.5
8 GLY 47.1
9 ILE 51.8
10 VAL 44.2
11 HIS 61.5
12 ALA 51.4
13 GLY 54.6
14 ARG 50.3
15 SER 65.6
16 ILE 36.5
17 GLY 41.8
18 ARG 57.8
19 PHE 58.6
20 LEU 50.0
21 THR 41.1
22 GLY 39.0

seq res Dipolar_coupling
1 PHE n/a
2 ILE n/a
3 HIS n/a
4 HIS 3.20
5 ILE 4.75
6 PHE 3.70
7 ARG 4.80
8 GLY 3.95
9 ILE 4.80
10 VAL 4.81 
11 HIS 5.30
12 ALA 3.88
13 GLY 4.43
14 ARG 5.00
15 SER 3.70
16 ILE 5.05
17 GLY 4.95
18 ARG 4.90
19 PHE 3.72
20 LEU 5.11
21 THR 4.00
22 GLY 3.86


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           HT1      PHE   1 -14.805   5.949   0.795
    2    H2   PHE   1           HT2      PHE   1 -13.413   5.462   1.640
    3    H3   PHE   1           HT3      PHE   1 -14.952   5.002   2.194
    4    HA   PHE   1           HA       PHE   1 -13.947   3.129   1.128
    5    HB2  PHE   1           HB2      PHE   1 -16.098   4.476  -0.530
    6    HB3  PHE   1           HB1      PHE   1 -15.631   2.784  -0.701
    7    HD1  PHE   1           HD2      PHE   1 -15.997   1.185   1.171
    8    HD2  PHE   1           HD1      PHE   1 -17.400   5.240   1.343
    9    HE1  PHE   1           HE2      PHE   1 -17.485   0.590   3.063
   10    HE2  PHE   1           HE1      PHE   1 -18.889   4.646   3.234
   11    HZ   PHE   1           HZ       PHE   1 -18.931   2.320   4.094
   12    H    ILE   2           HN       ILE   2 -14.047   6.026  -0.921
   13    HA   ILE   2           HA       ILE   2 -12.642   4.960  -3.123
   14    HB   ILE   2           HB       ILE   2 -12.957   7.796  -2.116
   15   HG12  ILE   2          HG12      ILE   2 -14.453   7.913  -4.145
   16   HG13  ILE   2          HG11      ILE   2 -14.226   6.178  -4.350
   17   HG21  ILE   2          HG21      ILE   2 -11.568   6.702  -4.567
   18   HG22  ILE   2          HG22      ILE   2 -10.958   7.872  -3.397
   19   HG23  ILE   2          HG23      ILE   2 -12.227   8.339  -4.530
   20   HD11  ILE   2          HD11      ILE   2 -16.314   7.067  -3.028
   21   HD12  ILE   2          HD12      ILE   2 -15.172   7.238  -1.696
   22   HD13  ILE   2          HD13      ILE   2 -15.444   5.657  -2.431
   23    H    HIS   3           HN       HIS   3 -11.529   6.644  -0.197
   24    HA   HIS   3           HA       HIS   3  -8.855   6.986  -0.852
   25    HB2  HIS   3           HB2      HIS   3 -10.123   6.335   1.819
   26    HB3  HIS   3           HB1      HIS   3  -8.441   6.830   1.624
   27    HD2  HIS   3           HD2      HIS   3  -8.088   9.559   0.805
   28    HE1  HIS   3           HE1      HIS   3 -12.144  10.640   1.263
   29    HE2  HIS   3           HE2      HIS   3  -9.800  11.531   0.863
   30    H    HIS   4           HN       HIS   4 -10.459   4.089   0.493
   31    HA   HIS   4           HA       HIS   4  -8.313   2.515   1.045
   32    HB2  HIS   4           HB2      HIS   4 -10.944   1.742  -0.219
   33    HB3  HIS   4           HB1      HIS   4  -9.785   0.577   0.418
   34    HD2  HIS   4           HD2      HIS   4  -9.816   0.309   3.207
   35    HE1  HIS   4           HE1      HIS   4 -12.584   3.399   3.992
   36    HE2  HIS   4           HE2      HIS   4 -11.280   1.481   5.025
   37    H    ILE   5           HN       ILE   5  -9.706   3.037  -2.220
   38    HA   ILE   5           HA       ILE   5  -8.139   1.093  -3.527
   39    HB   ILE   5           HB       ILE   5  -9.448   3.645  -4.479
   40   HG12  ILE   5          HG12      ILE   5 -11.011   2.009  -5.548
   41   HG13  ILE   5          HG11      ILE   5 -10.137   0.701  -4.756
   42   HG21  ILE   5          HG21      ILE   5  -9.130   2.554  -6.786
   43   HG22  ILE   5          HG22      ILE   5  -7.901   1.551  -6.016
   44   HG23  ILE   5          HG23      ILE   5  -7.709   3.303  -6.060
   45   HD11  ILE   5          HD11      ILE   5 -11.223   2.977  -3.111
   46   HD12  ILE   5          HD12      ILE   5 -10.891   1.313  -2.628
   47   HD13  ILE   5          HD13      ILE   5 -12.294   1.678  -3.629
   48    H    PHE   6           HN       PHE   6  -7.620   4.585  -3.025
   49    HA   PHE   6           HA       PHE   6  -5.108   4.668  -4.369
   50    HB2  PHE   6           HB2      PHE   6  -6.580   6.653  -3.922
   51    HB3  PHE   6           HB1      PHE   6  -6.110   6.554  -2.226
   52    HD1  PHE   6           HD2      PHE   6  -4.787   6.968  -5.682
   53    HD2  PHE   6           HD1      PHE   6  -4.010   7.400  -1.479
   54    HE1  PHE   6           HE2      PHE   6  -2.704   8.213  -6.194
   55    HE2  PHE   6           HE1      PHE   6  -1.927   8.644  -1.993
   56    HZ   PHE   6           HZ       PHE   6  -1.274   9.051  -4.350
   57    H    ARG   7           HN       ARG   7  -6.068   4.345  -0.993
   58    HA   ARG   7           HA       ARG   7  -3.493   4.433   0.155
   59    HB2  ARG   7           HB2      ARG   7  -6.075   3.190   1.100
   60    HB3  ARG   7           HB1      ARG   7  -4.608   3.229   2.078
   61    HG2  ARG   7           HG2      ARG   7  -4.550   5.682   1.927
   62    HG3  ARG   7           HG1      ARG   7  -5.993   5.663   0.915
   63    HD2  ARG   7           HD2      ARG   7  -7.273   4.620   2.742
   64    HD3  ARG   7           HD1      ARG   7  -5.833   4.619   3.756
   65    HE   ARG   7           HE       ARG   7  -6.232   7.254   2.931
   66   HH11  ARG   7          HH21      ARG   7  -7.874   4.795   4.728
   67   HH12  ARG   7          HH22      ARG   7  -8.705   5.910   5.761
   68   HH21  ARG   7          HH11      ARG   7  -7.318   8.722   4.282
   69   HH22  ARG   7          HH12      ARG   7  -8.390   8.134   5.507
   70    H    GLY   8           HN       GLY   8  -5.361   1.779  -1.234
   71    HA2  GLY   8           HA2      GLY   8  -3.734  -0.338  -0.248
   72    HA3  GLY   8           HA1      GLY   8  -4.843  -0.426  -1.613
   73    H    ILE   9           HN       ILE   9  -3.615   1.686  -3.145
   74    HA   ILE   9           HA       ILE   9  -1.704   0.185  -4.591
   75    HB   ILE   9           HB       ILE   9  -2.345   3.139  -4.621
   76   HG12  ILE   9          HG12      ILE   9  -3.036   0.952  -6.602
   77   HG13  ILE   9          HG11      ILE   9  -4.113   1.438  -5.294
   78   HG21  ILE   9          HG21      ILE   9  -0.502   1.468  -6.338
   79   HG22  ILE   9          HG22      ILE   9  -0.160   3.003  -5.539
   80   HG23  ILE   9          HG23      ILE   9  -1.228   2.957  -6.940
   81   HD11  ILE   9          HD11      ILE   9  -3.928   3.818  -6.187
   82   HD12  ILE   9          HD12      ILE   9  -4.796   2.686  -7.223
   83   HD13  ILE   9          HD13      ILE   9  -3.132   3.131  -7.602
   84    H    VAL  10           HN       VAL  10  -1.274   2.991  -2.428
   85    HA   VAL  10           HA       VAL  10   1.562   3.004  -2.603
   86    HB   VAL  10           HB       VAL  10   0.410   4.998  -1.885
   87   HG11  VAL  10          HG11      VAL  10  -1.509   3.794  -0.841
   88   HG12  VAL  10          HG12      VAL  10  -0.880   5.090   0.173
   89   HG13  VAL  10          HG13      VAL  10  -0.481   3.411   0.538
   90   HG21  VAL  10          HG21      VAL  10   1.786   3.942   0.593
   91   HG22  VAL  10          HG22      VAL  10   1.776   5.591  -0.032
   92   HG23  VAL  10          HG23      VAL  10   2.690   4.337  -0.868
   93    H    HIS  11           HN       HIS  11  -0.707   1.497  -0.343
   94    HA   HIS  11           HA       HIS  11   1.237   0.556   1.498
   95    HB2  HIS  11           HB2      HIS  11  -1.163   0.682   2.040
   96    HB3  HIS  11           HB1      HIS  11  -1.495  -0.577   0.849
   97    HD2  HIS  11           HD2      HIS  11  -1.360  -3.120   1.918
   98    HE1  HIS  11           HE1      HIS  11   0.926  -2.207   5.349
   99    HE2  HIS  11           HE2      HIS  11  -0.316  -4.052   4.122
  100    H    ALA  12           HN       ALA  12  -0.353  -0.975  -1.291
  101    HA   ALA  12           HA       ALA  12   0.868  -3.499  -1.077
  102    HB1  ALA  12           HB1      ALA  12  -0.202  -1.984  -3.463
  103    HB2  ALA  12           HB2      ALA  12  -1.017  -3.242  -2.534
  104    HB3  ALA  12           HB3      ALA  12   0.366  -3.651  -3.550
  105    H    GLY  13           HN       GLY  13   2.071  -0.451  -2.196
  106    HA2  GLY  13           HA2      GLY  13   4.277  -1.521  -3.726
  107    HA3  GLY  13           HA1      GLY  13   4.059   0.159  -3.242
  108    H    ARG  14           HN       ARG  14   3.835  -0.081  -0.542
  109    HA   ARG  14           HA       ARG  14   6.501  -0.127   0.328
  110    HB2  ARG  14           HB2      ARG  14   4.678   1.078   1.508
  111    HB3  ARG  14           HB1      ARG  14   4.026  -0.474   2.037
  112    HG2  ARG  14           HG2      ARG  14   6.090  -0.980   3.240
  113    HG3  ARG  14           HG1      ARG  14   6.831   0.505   2.640
  114    HD2  ARG  14           HD2      ARG  14   4.326   0.421   4.345
  115    HD3  ARG  14           HD1      ARG  14   5.946   0.705   4.976
  116    HE   ARG  14           HE       ARG  14   5.593   2.563   2.950
  117   HH11  ARG  14          HH21      ARG  14   4.058   1.676   5.922
  118   HH12  ARG  14          HH22      ARG  14   3.495   3.277   6.270
  119   HH21  ARG  14          HH11      ARG  14   4.859   4.665   3.400
  120   HH22  ARG  14          HH12      ARG  14   3.950   4.969   4.843
  121    H    SER  15           HN       SER  15   3.975  -2.608   0.532
  122    HA   SER  15           HA       SER  15   5.418  -4.461   2.114
  123    HB2  SER  15           HB2      SER  15   3.269  -4.941   0.038
  124    HB3  SER  15           HB1      SER  15   3.838  -6.137   1.200
  125    HG   SER  15           HG       SER  15   2.589  -3.642   1.731
  126    H    ILE  16           HN       ILE  16   5.145  -4.016  -1.375
  127    HA   ILE  16           HA       ILE  16   6.716  -6.247  -2.147
  128    HB   ILE  16           HB       ILE  16   6.139  -3.638  -3.569
  129   HG12  ILE  16          HG12      ILE  16   5.092  -6.427  -4.107
  130   HG13  ILE  16          HG11      ILE  16   4.265  -5.296  -3.040
  131   HG21  ILE  16          HG21      ILE  16   7.608  -6.128  -4.461
  132   HG22  ILE  16          HG22      ILE  16   8.148  -4.452  -4.568
  133   HG23  ILE  16          HG23      ILE  16   6.848  -5.028  -5.612
  134   HD11  ILE  16          HD11      ILE  16   5.023  -4.623  -5.892
  135   HD12  ILE  16          HD12      ILE  16   3.954  -3.714  -4.824
  136   HD13  ILE  16          HD13      ILE  16   3.450  -5.285  -5.445
  137    H    GLY  17           HN       GLY  17   7.542  -2.852  -1.547
  138    HA2  GLY  17           HA2      GLY  17  10.282  -3.033  -2.235
  139    HA3  GLY  17           HA1      GLY  17   9.561  -1.802  -1.203
  140    H    ARG  18           HN       ARG  18   8.502  -3.680   0.721
  141    HA   ARG  18           HA       ARG  18  10.668  -3.809   2.521
  142    HB2  ARG  18           HB2      ARG  18   8.282  -3.784   3.211
  143    HB3  ARG  18           HB1      ARG  18   8.107  -5.425   2.588
  144    HG2  ARG  18           HG2      ARG  18   9.820  -6.226   4.160
  145    HG3  ARG  18           HG1      ARG  18  10.048  -4.585   4.763
  146    HD2  ARG  18           HD2      ARG  18   7.624  -4.556   5.414
  147    HD3  ARG  18           HD1      ARG  18   7.528  -6.254   4.956
  148    HE   ARG  18           HE       ARG  18   9.651  -6.048   6.739
  149   HH11  ARG  18          HH21      ARG  18   6.248  -5.426   6.676
  150   HH12  ARG  18          HH22      ARG  18   6.017  -5.758   8.361
  151   HH21  ARG  18          HH11      ARG  18   9.355  -6.485   8.948
  152   HH22  ARG  18          HH12      ARG  18   7.775  -6.357   9.647
  153    H    PHE  19           HN       PHE  19   9.149  -6.330   0.515
  154    HA   PHE  19           HA       PHE  19  10.806  -8.456   1.406
  155    HB2  PHE  19           HB2      PHE  19   9.191  -8.067  -1.118
  156    HB3  PHE  19           HB1      PHE  19  10.067  -9.552  -0.753
  157    HD1  PHE  19           HD2      PHE  19   9.663 -10.501   1.701
  158    HD2  PHE  19           HD1      PHE  19   6.962  -7.911  -0.408
  159    HE1  PHE  19           HE2      PHE  19   7.799 -11.268   3.146
  160    HE2  PHE  19           HE1      PHE  19   5.099  -8.676   1.037
  161    HZ   PHE  19           HZ       PHE  19   5.517 -10.356   2.814
  162    H    LEU  20           HN       LEU  20  11.100  -6.077  -1.174
  163    HA   LEU  20           HA       LEU  20  13.254  -7.249  -2.556
  164    HB2  LEU  20           HB2      LEU  20  11.703  -5.116  -3.052
  165    HB3  LEU  20           HB1      LEU  20  13.075  -4.261  -2.359
  166    HG   LEU  20           HG       LEU  20  13.400  -4.384  -4.755
  167   HD11  LEU  20          HD11      LEU  20  15.198  -6.549  -3.679
  168   HD12  LEU  20          HD12      LEU  20  15.337  -4.887  -3.100
  169   HD13  LEU  20          HD13      LEU  20  15.586  -5.251  -4.805
  170   HD21  LEU  20          HD21      LEU  20  12.895  -6.188  -6.058
  171   HD22  LEU  20          HD22      LEU  20  11.977  -6.751  -4.667
  172   HD23  LEU  20          HD23      LEU  20  13.615  -7.340  -4.937
  173    H    THR  21           HN       THR  21  13.141  -5.059   0.225
  174    HA   THR  21           HA       THR  21  15.905  -4.534   0.416
  175    HB   THR  21           HB       THR  21  13.975  -4.735   2.735
  176    HG1  THR  21           HG1      THR  21  14.491  -2.456   1.149
  177   HG21  THR  21          HG21      THR  21  16.309  -2.864   2.283
  178   HG22  THR  21          HG22      THR  21  16.467  -4.402   3.130
  179   HG23  THR  21          HG23      THR  21  15.423  -3.140   3.783
  180    H    GLY  22           HN       GLY  22  13.887  -7.052   1.916
  181    HA2  GLY  22           HA2      GLY  22  14.438  -9.136   2.731
  182    HA3  GLY  22           HA1      GLY  22  15.986  -8.974   1.909
  183    HN1  NH2  23           HT1      GLY  22  16.509  -6.739   5.202
  184    HN2  NH2  23           HT2      GLY  22  15.688  -6.225   3.766
  Start of MODEL    2
    1    H1   PHE   1           HT1      PHE   1 -14.908   5.284   1.997
    2    H2   PHE   1           HT2      PHE   1 -13.932   6.050   0.837
    3    H3   PHE   1           HT3      PHE   1 -13.218   5.178   2.107
    4    HA   PHE   1           HA       PHE   1 -13.693   3.146   1.201
    5    HB2  PHE   1           HB2      PHE   1 -15.812   4.512  -0.489
    6    HB3  PHE   1           HB1      PHE   1 -15.516   2.776  -0.380
    7    HD1  PHE   1           HD1      PHE   1 -16.768   5.749   1.412
    8    HD2  PHE   1           HD2      PHE   1 -16.197   1.494   1.570
    9    HE1  PHE   1           HE1      PHE   1 -18.255   5.623   3.394
   10    HE2  PHE   1           HE2      PHE   1 -17.684   1.368   3.550
   11    HZ   PHE   1           HZ       PHE   1 -18.713   3.431   4.462
   12    H    ILE   2           HN       ILE   2 -13.931   5.988  -0.925
   13    HA   ILE   2           HA       ILE   2 -12.576   4.856  -3.140
   14    HB   ILE   2           HB       ILE   2 -12.677   7.780  -2.360
   15   HG12  ILE   2          HG12      ILE   2 -14.944   6.906  -2.311
   16   HG13  ILE   2          HG11      ILE   2 -14.737   7.822  -3.801
   17   HG21  ILE   2          HG21      ILE   2 -12.432   6.359  -5.027
   18   HG22  ILE   2          HG22      ILE   2 -11.139   7.226  -4.200
   19   HG23  ILE   2          HG23      ILE   2 -12.540   8.107  -4.810
   20   HD11  ILE   2          HD11      ILE   2 -15.826   5.847  -4.494
   21   HD12  ILE   2          HD12      ILE   2 -14.845   4.830  -3.443
   22   HD13  ILE   2          HD13      ILE   2 -14.135   5.551  -4.890
   23    H    HIS   3           HN       HIS   3 -11.452   6.733  -0.351
   24    HA   HIS   3           HA       HIS   3  -8.801   7.126  -1.110
   25    HB2  HIS   3           HB2      HIS   3 -10.065   6.671   1.599
   26    HB3  HIS   3           HB1      HIS   3  -8.348   7.029   1.415
   27    HD2  HIS   3           HD2      HIS   3  -8.126   9.509  -0.449
   28    HE1  HIS   3           HE1      HIS   3 -11.482  11.203   1.475
   29    HE2  HIS   3           HE2      HIS   3  -9.498  11.692  -0.033
   30    H    HIS   4           HN       HIS   4 -10.300   4.279   0.441
   31    HA   HIS   4           HA       HIS   4  -8.110   2.758   0.990
   32    HB2  HIS   4           HB2      HIS   4 -10.680   1.777  -0.262
   33    HB3  HIS   4           HB1      HIS   4  -9.542   0.800   0.665
   34    HD2  HIS   4           HD2      HIS   4  -9.369   3.686   2.808
   35    HE1  HIS   4           HE1      HIS   4 -13.103   2.058   3.918
   36    HE2  HIS   4           HE2      HIS   4 -11.272   3.682   4.596
   37    H    ILE   5           HN       ILE   5  -9.617   3.192  -2.235
   38    HA   ILE   5           HA       ILE   5  -8.164   1.200  -3.582
   39    HB   ILE   5           HB       ILE   5  -9.096   3.856  -4.684
   40   HG12  ILE   5          HG12      ILE   5 -10.943   2.861  -3.464
   41   HG13  ILE   5          HG11      ILE   5 -11.225   2.617  -5.185
   42   HG21  ILE   5          HG21      ILE   5  -9.329   2.598  -6.775
   43   HG22  ILE   5          HG22      ILE   5  -8.817   1.120  -5.961
   44   HG23  ILE   5          HG23      ILE   5  -7.677   2.450  -6.173
   45   HD11  ILE   5          HD11      ILE   5 -11.696   0.509  -4.260
   46   HD12  ILE   5          HD12      ILE   5 -10.363   0.611  -3.113
   47   HD13  ILE   5          HD13      ILE   5 -10.037   0.324  -4.824
   48    H    PHE   6           HN       PHE   6  -7.502   4.679  -3.132
   49    HA   PHE   6           HA       PHE   6  -5.012   4.617  -4.528
   50    HB2  PHE   6           HB2      PHE   6  -6.262   6.580  -2.606
   51    HB3  PHE   6           HB1      PHE   6  -4.665   6.836  -3.308
   52    HD1  PHE   6           HD2      PHE   6  -4.383   7.190  -5.719
   53    HD2  PHE   6           HD1      PHE   6  -8.277   6.687  -3.977
   54    HE1  PHE   6           HE2      PHE   6  -5.425   8.047  -7.800
   55    HE2  PHE   6           HE1      PHE   6  -9.319   7.544  -6.058
   56    HZ   PHE   6           HZ       PHE   6  -7.893   8.224  -7.969
   57    H    ARG   7           HN       ARG   7  -5.927   4.498  -1.110
   58    HA   ARG   7           HA       ARG   7  -3.322   4.476  -0.030
   59    HB2  ARG   7           HB2      ARG   7  -5.398   4.883   1.299
   60    HB3  ARG   7           HB1      ARG   7  -5.794   3.173   1.129
   61    HG2  ARG   7           HG2      ARG   7  -3.655   2.573   2.234
   62    HG3  ARG   7           HG1      ARG   7  -3.293   4.287   2.428
   63    HD2  ARG   7           HD2      ARG   7  -4.252   3.374   4.494
   64    HD3  ARG   7           HD1      ARG   7  -5.335   4.568   3.783
   65    HE   ARG   7           HE       ARG   7  -6.854   2.851   3.289
   66   HH11  ARG   7          HH21      ARG   7  -3.831   1.624   4.444
   67   HH12  ARG   7          HH22      ARG   7  -4.421   0.011   4.675
   68   HH21  ARG   7          HH11      ARG   7  -7.630   0.742   3.589
   69   HH22  ARG   7          HH12      ARG   7  -6.570  -0.489   4.191
   70    H    GLY   8           HN       GLY   8  -5.398   1.899  -1.257
   71    HA2  GLY   8           HA2      GLY   8  -3.981  -0.325  -0.269
   72    HA3  GLY   8           HA1      GLY   8  -4.991  -0.309  -1.711
   73    H    ILE   9           HN       ILE   9  -3.490   1.745  -3.064
   74    HA   ILE   9           HA       ILE   9  -1.569   0.119  -4.393
   75    HB   ILE   9           HB       ILE   9  -2.072   3.101  -4.503
   76   HG12  ILE   9          HG12      ILE   9  -2.704   0.911  -6.501
   77   HG13  ILE   9          HG11      ILE   9  -3.860   1.486  -5.299
   78   HG21  ILE   9          HG21      ILE   9  -0.182   1.312  -6.043
   79   HG22  ILE   9          HG22      ILE   9   0.177   2.834  -5.229
   80   HG23  ILE   9          HG23      ILE   9  -0.772   2.831  -6.715
   81   HD11  ILE   9          HD11      ILE   9  -2.526   3.172  -7.437
   82   HD12  ILE   9          HD12      ILE   9  -3.620   3.789  -6.201
   83   HD13  ILE   9          HD13      ILE   9  -4.214   2.662  -7.420
   84    H    VAL  10           HN       VAL  10  -1.300   2.771  -2.055
   85    HA   VAL  10           HA       VAL  10   1.520   2.914  -2.021
   86    HB   VAL  10           HB       VAL  10  -0.514   3.624   0.103
   87   HG11  VAL  10          HG11      VAL  10   2.466   4.088  -0.100
   88   HG12  VAL  10          HG12      VAL  10   1.555   3.409   1.249
   89   HG13  VAL  10          HG13      VAL  10   1.428   5.129   0.875
   90   HG21  VAL  10          HG21      VAL  10   0.997   5.335  -1.901
   91   HG22  VAL  10          HG22      VAL  10  -0.205   5.901  -0.742
   92   HG23  VAL  10          HG23      VAL  10  -0.689   4.845  -2.068
   93    H    HIS  11           HN       HIS  11  -0.777   1.112  -0.002
   94    HA   HIS  11           HA       HIS  11   1.186  -0.038   1.706
   95    HB2  HIS  11           HB2      HIS  11  -1.680  -0.712   1.063
   96    HB3  HIS  11           HB1      HIS  11  -0.719  -1.741   2.125
   97    HD2  HIS  11           HD2      HIS  11  -0.640  -0.851   4.739
   98    HE1  HIS  11           HE1      HIS  11  -1.963   3.101   4.063
   99    HE2  HIS  11           HE2      HIS  11  -1.315   1.415   5.848
  100    H    ALA  12           HN       ALA  12  -0.470  -1.223  -1.213
  101    HA   ALA  12           HA       ALA  12   0.657  -3.796  -1.266
  102    HB1  ALA  12           HB1      ALA  12  -1.246  -3.033  -2.687
  103    HB2  ALA  12           HB2      ALA  12   0.025  -3.839  -3.607
  104    HB3  ALA  12           HB3      ALA  12  -0.106  -2.081  -3.638
  105    H    GLY  13           HN       GLY  13   1.939  -0.680  -2.158
  106    HA2  GLY  13           HA2      GLY  13   4.193  -1.760  -3.638
  107    HA3  GLY  13           HA1      GLY  13   3.930  -0.070  -3.220
  108    H    ARG  14           HN       ARG  14   3.535  -0.427  -0.452
  109    HA   ARG  14           HA       ARG  14   6.159  -0.240   0.517
  110    HB2  ARG  14           HB2      ARG  14   4.074   0.650   1.655
  111    HB3  ARG  14           HB1      ARG  14   3.747  -1.001   2.172
  112    HG2  ARG  14           HG2      ARG  14   4.935  -0.224   4.016
  113    HG3  ARG  14           HG1      ARG  14   6.253  -0.890   3.059
  114    HD2  ARG  14           HD2      ARG  14   6.804   1.365   3.891
  115    HD3  ARG  14           HD1      ARG  14   6.724   1.340   2.131
  116    HE   ARG  14           HE       ARG  14   4.201   2.059   3.274
  117   HH11  ARG  14          HH21      ARG  14   7.391   3.196   2.561
  118   HH12  ARG  14          HH22      ARG  14   6.916   4.853   2.409
  119   HH21  ARG  14          HH11      ARG  14   3.571   4.231   3.074
  120   HH22  ARG  14          HH12      ARG  14   4.753   5.441   2.698
  121    H    SER  15           HN       SER  15   3.887  -2.964   0.524
  122    HA   SER  15           HA       SER  15   5.471  -4.740   2.058
  123    HB2  SER  15           HB2      SER  15   3.455  -5.397  -0.102
  124    HB3  SER  15           HB1      SER  15   4.050  -6.499   1.136
  125    HG   SER  15           HG       SER  15   2.833  -4.018   1.750
  126    H    ILE  16           HN       ILE  16   5.201  -4.182  -1.425
  127    HA   ILE  16           HA       ILE  16   6.978  -6.231  -2.240
  128    HB   ILE  16           HB       ILE  16   6.214  -3.625  -3.583
  129   HG12  ILE  16          HG12      ILE  16   5.359  -6.471  -4.184
  130   HG13  ILE  16          HG11      ILE  16   4.438  -5.391  -3.135
  131   HG21  ILE  16          HG21      ILE  16   8.296  -4.290  -4.561
  132   HG22  ILE  16          HG22      ILE  16   7.045  -4.877  -5.655
  133   HG23  ILE  16          HG23      ILE  16   7.838  -5.993  -4.543
  134   HD11  ILE  16          HD11      ILE  16   3.616  -5.367  -5.493
  135   HD12  ILE  16          HD12      ILE  16   5.192  -4.766  -6.004
  136   HD13  ILE  16          HD13      ILE  16   4.173  -3.784  -4.950
  137    H    GLY  17           HN       GLY  17   7.489  -2.784  -1.537
  138    HA2  GLY  17           HA2      GLY  17  10.236  -2.700  -2.188
  139    HA3  GLY  17           HA1      GLY  17   9.403  -1.577  -1.119
  140    H    ARG  18           HN       ARG  18   8.516  -3.550   0.766
  141    HA   ARG  18           HA       ARG  18  10.783  -3.627   2.481
  142    HB2  ARG  18           HB2      ARG  18   8.447  -3.537   3.310
  143    HB3  ARG  18           HB1      ARG  18   8.192  -5.178   2.715
  144    HG2  ARG  18           HG2      ARG  18  10.004  -5.993   4.188
  145    HG3  ARG  18           HG1      ARG  18  10.251  -4.352   4.786
  146    HD2  ARG  18           HD2      ARG  18   7.856  -4.339   5.542
  147    HD3  ARG  18           HD1      ARG  18   7.753  -6.038   5.088
  148    HE   ARG  18           HE       ARG  18   8.973  -4.991   7.454
  149   HH11  ARG  18          HH21      ARG  18   9.188  -7.445   5.026
  150   HH12  ARG  18          HH22      ARG  18   9.994  -8.585   6.052
  151   HH21  ARG  18          HH11      ARG  18  10.027  -6.480   8.806
  152   HH22  ARG  18          HH12      ARG  18  10.468  -8.038   8.193
  153    H    PHE  19           HN       PHE  19   9.124  -6.090   0.546
  154    HA   PHE  19           HA       PHE  19  10.715  -8.286   1.361
  155    HB2  PHE  19           HB2      PHE  19   8.535  -8.556   0.243
  156    HB3  PHE  19           HB1      PHE  19   9.214  -7.882  -1.238
  157    HD1  PHE  19           HD2      PHE  19   9.657 -10.642   1.241
  158    HD2  PHE  19           HD1      PHE  19  10.379  -9.265  -2.763
  159    HE1  PHE  19           HE2      PHE  19  10.522 -12.883   0.627
  160    HE2  PHE  19           HE1      PHE  19  11.244 -11.507  -3.379
  161    HZ   PHE  19           HZ       PHE  19  11.315 -13.315  -1.683
  162    H    LEU  20           HN       LEU  20  10.998  -5.953  -1.279
  163    HA   LEU  20           HA       LEU  20  13.120  -7.201  -2.639
  164    HB2  LEU  20           HB2      LEU  20  11.592  -5.078  -3.229
  165    HB3  LEU  20           HB1      LEU  20  12.970  -4.207  -2.572
  166    HG   LEU  20           HG       LEU  20  13.306  -4.407  -4.953
  167   HD11  LEU  20          HD11      LEU  20  15.240  -4.893  -3.309
  168   HD12  LEU  20          HD12      LEU  20  15.468  -5.348  -4.995
  169   HD13  LEU  20          HD13      LEU  20  15.053  -6.578  -3.808
  170   HD21  LEU  20          HD21      LEU  20  13.337  -7.409  -4.898
  171   HD22  LEU  20          HD22      LEU  20  12.965  -6.313  -6.223
  172   HD23  LEU  20          HD23      LEU  20  11.773  -6.593  -4.961
  173    H    THR  21           HN       THR  21  13.070  -4.905   0.058
  174    HA   THR  21           HA       THR  21  15.848  -4.420   0.176
  175    HB   THR  21           HB       THR  21  13.921  -4.448   2.504
  176    HG1  THR  21           HG1      THR  21  14.555  -2.195   0.960
  177   HG21  THR  21          HG21      THR  21  16.270  -4.223   3.134
  178   HG22  THR  21          HG22      THR  21  15.449  -2.677   3.345
  179   HG23  THR  21          HG23      THR  21  16.489  -2.938   1.945
  180    H    GLY  22           HN       GLY  22  13.818  -6.792   1.897
  181    HA2  GLY  22           HA2      GLY  22  15.607  -7.989   3.565
  182    HA3  GLY  22           HA1      GLY  22  14.369  -8.893   2.700
  183    HN1  NH2  23           HT1      GLY  22  17.367  -8.734   0.033
  184    HN2  NH2  23           HT2      GLY  22  16.231  -7.462   0.336
  Start of MODEL    3
    1    H1   PHE   1           HT1      PHE   1 -14.828   4.946   0.040
    2    H2   PHE   1           HT2      PHE   1 -13.571   4.604   1.130
    3    H3   PHE   1           HT3      PHE   1 -14.976   3.648   1.120
    4    HA   PHE   1           HA       PHE   1 -13.124   2.517   0.036
    5    HB2  PHE   1           HB2      PHE   1 -15.505   3.382  -1.612
    6    HB3  PHE   1           HB1      PHE   1 -14.342   2.202  -2.213
    7    HD1  PHE   1           HD2      PHE   1 -13.834   0.159  -0.723
    8    HD2  PHE   1           HD1      PHE   1 -17.248   2.704  -0.162
    9    HE1  PHE   1           HE2      PHE   1 -14.950  -1.628   0.586
   10    HE2  PHE   1           HE1      PHE   1 -18.364   0.918   1.147
   11    HZ   PHE   1           HZ       PHE   1 -17.216  -1.247   1.521
   12    H    ILE   2           HN       ILE   2 -13.958   5.680  -1.287
   13    HA   ILE   2           HA       ILE   2 -12.325   5.815  -3.504
   14    HB   ILE   2           HB       ILE   2 -13.890   7.596  -2.725
   15   HG12  ILE   2          HG12      ILE   2 -11.075   8.644  -3.132
   16   HG13  ILE   2          HG11      ILE   2 -12.040   7.957  -4.438
   17   HG21  ILE   2          HG21      ILE   2 -11.629   8.462  -0.915
   18   HG22  ILE   2          HG22      ILE   2 -12.979   7.487  -0.334
   19   HG23  ILE   2          HG23      ILE   2 -13.272   9.101  -0.982
   20   HD11  ILE   2          HD11      ILE   2 -12.638  10.426  -2.796
   21   HD12  ILE   2          HD12      ILE   2 -13.850   9.650  -3.815
   22   HD13  ILE   2          HD13      ILE   2 -12.391  10.323  -4.538
   23    H    HIS   3           HN       HIS   3 -11.414   6.309  -0.084
   24    HA   HIS   3           HA       HIS   3  -8.685   6.934  -0.702
   25    HB2  HIS   3           HB2      HIS   3  -8.347   6.868   1.690
   26    HB3  HIS   3           HB1      HIS   3  -9.877   7.682   1.361
   27    HD2  HIS   3           HD2      HIS   3 -12.174   6.305   2.262
   28    HE1  HIS   3           HE1      HIS   3 -10.125   3.034   3.975
   29    HE2  HIS   3           HE2      HIS   3 -12.388   4.163   3.743
   30    H    HIS   4           HN       HIS   4 -10.353   4.027   0.546
   31    HA   HIS   4           HA       HIS   4  -8.280   2.350   1.012
   32    HB2  HIS   4           HB2      HIS   4 -10.665   1.765   1.302
   33    HB3  HIS   4           HB1      HIS   4 -10.811   1.590  -0.448
   34    HD2  HIS   4           HD2      HIS   4  -9.901  -0.857  -1.454
   35    HE1  HIS   4           HE1      HIS   4  -8.269  -2.335   2.149
   36    HE2  HIS   4           HE2      HIS   4  -8.822  -2.914  -0.261
   37    H    ILE   5           HN       ILE   5  -9.835   2.612  -2.253
   38    HA   ILE   5           HA       ILE   5  -8.120   0.849  -3.573
   39    HB   ILE   5           HB       ILE   5 -10.164   1.617  -4.602
   40   HG12  ILE   5          HG12      ILE   5  -7.901   2.850  -6.195
   41   HG13  ILE   5          HG11      ILE   5  -8.116   1.106  -6.052
   42   HG21  ILE   5          HG21      ILE   5  -9.983   3.926  -3.507
   43   HG22  ILE   5          HG22      ILE   5 -10.619   3.891  -5.146
   44   HG23  ILE   5          HG23      ILE   5  -8.947   4.372  -4.858
   45   HD11  ILE   5          HD11      ILE   5 -10.436   2.828  -6.912
   46   HD12  ILE   5          HD12      ILE   5 -10.129   1.124  -7.250
   47   HD13  ILE   5          HD13      ILE   5  -9.198   2.369  -8.083
   48    H    PHE   6           HN       PHE   6  -7.823   4.400  -3.224
   49    HA   PHE   6           HA       PHE   6  -5.381   4.564  -4.691
   50    HB2  PHE   6           HB2      PHE   6  -6.995   6.389  -2.955
   51    HB3  PHE   6           HB1      PHE   6  -5.311   6.829  -3.234
   52    HD1  PHE   6           HD1      PHE   6  -4.551   6.480  -5.799
   53    HD2  PHE   6           HD2      PHE   6  -8.569   7.235  -4.474
   54    HE1  PHE   6           HE1      PHE   6  -5.131   7.347  -8.049
   55    HE2  PHE   6           HE2      PHE   6  -9.147   8.101  -6.725
   56    HZ   PHE   6           HZ       PHE   6  -7.429   8.157  -8.513
   57    H    ARG   7           HN       ARG   7  -6.104   4.463  -1.229
   58    HA   ARG   7           HA       ARG   7  -3.438   4.695  -0.325
   59    HB2  ARG   7           HB2      ARG   7  -5.908   3.527   0.960
   60    HB3  ARG   7           HB1      ARG   7  -4.360   3.661   1.795
   61    HG2  ARG   7           HG2      ARG   7  -4.347   6.085   1.449
   62    HG3  ARG   7           HG1      ARG   7  -5.852   5.980   0.534
   63    HD2  ARG   7           HD2      ARG   7  -6.327   6.666   2.835
   64    HD3  ARG   7           HD1      ARG   7  -6.985   5.059   2.540
   65    HE   ARG   7           HE       ARG   7  -4.385   4.772   3.582
   66   HH11  ARG   7          HH21      ARG   7  -7.532   5.906   4.473
   67   HH12  ARG   7          HH22      ARG   7  -7.344   5.525   6.153
   68   HH21  ARG   7          HH11      ARG   7  -4.133   4.270   5.783
   69   HH22  ARG   7          HH12      ARG   7  -5.421   4.600   6.893
   70    H    GLY   8           HN       GLY   8  -5.387   1.921  -1.298
   71    HA2  GLY   8           HA2      GLY   8  -3.857  -0.167  -0.243
   72    HA3  GLY   8           HA1      GLY   8  -4.831  -0.261  -1.707
   73    H    ILE   9           HN       ILE   9  -3.370   1.831  -3.091
   74    HA   ILE   9           HA       ILE   9  -1.393   0.258  -4.371
   75    HB   ILE   9           HB       ILE   9  -1.629   3.273  -4.424
   76   HG12  ILE   9          HG12      ILE   9  -3.806   2.305  -4.925
   77   HG13  ILE   9          HG11      ILE   9  -3.083   2.873  -6.425
   78   HG21  ILE   9          HG21      ILE   9   0.430   2.342  -5.431
   79   HG22  ILE   9          HG22      ILE   9  -0.633   3.015  -6.667
   80   HG23  ILE   9          HG23      ILE   9  -0.554   1.270  -6.428
   81   HD11  ILE   9          HD11      ILE   9  -3.451   0.045  -5.451
   82   HD12  ILE   9          HD12      ILE   9  -2.179   0.409  -6.611
   83   HD13  ILE   9          HD13      ILE   9  -3.860   0.739  -7.018
   84    H    VAL  10           HN       VAL  10  -1.143   2.897  -1.989
   85    HA   VAL  10           HA       VAL  10   1.685   2.989  -1.916
   86    HB   VAL  10           HB       VAL  10  -0.354   3.708   0.201
   87   HG11  VAL  10          HG11      VAL  10   2.616   4.223  -0.044
   88   HG12  VAL  10          HG12      VAL  10   1.759   3.463   1.296
   89   HG13  VAL  10          HG13      VAL  10   1.568   5.190   0.994
   90   HG21  VAL  10          HG21      VAL  10  -0.454   4.890  -2.051
   91   HG22  VAL  10          HG22      VAL  10   1.165   5.500  -1.711
   92   HG23  VAL  10          HG23      VAL  10  -0.181   5.943  -0.664
   93    H    HIS  11           HN       HIS  11  -0.679   1.272   0.117
   94    HA   HIS  11           HA       HIS  11   1.240   0.051   1.819
   95    HB2  HIS  11           HB2      HIS  11  -1.632  -0.580   1.140
   96    HB3  HIS  11           HB1      HIS  11  -0.702  -1.586   2.250
   97    HD2  HIS  11           HD2      HIS  11  -2.395   1.942   2.182
   98    HE1  HIS  11           HE1      HIS  11  -0.654   1.422   5.991
   99    HE2  HIS  11           HE2      HIS  11  -2.166   2.910   4.595
  100    H    ALA  12           HN       ALA  12  -0.490  -1.138  -1.062
  101    HA   ALA  12           HA       ALA  12   0.614  -3.716  -1.118
  102    HB1  ALA  12           HB1      ALA  12   0.074  -3.617  -3.581
  103    HB2  ALA  12           HB2      ALA  12  -0.384  -1.932  -3.344
  104    HB3  ALA  12           HB3      ALA  12  -1.272  -3.210  -2.517
  105    H    GLY  13           HN       GLY  13   1.880  -0.628  -2.174
  106    HA2  GLY  13           HA2      GLY  13   4.101  -1.788  -3.643
  107    HA3  GLY  13           HA1      GLY  13   3.842  -0.077  -3.317
  108    H    ARG  14           HN       ARG  14   3.513  -0.334  -0.503
  109    HA   ARG  14           HA       ARG  14   6.189  -0.103   0.358
  110    HB2  ARG  14           HB2      ARG  14   4.275   0.966   1.518
  111    HB3  ARG  14           HB1      ARG  14   3.742  -0.625   2.064
  112    HG2  ARG  14           HG2      ARG  14   5.846  -0.947   3.277
  113    HG3  ARG  14           HG1      ARG  14   6.448   0.600   2.682
  114    HD2  ARG  14           HD2      ARG  14   5.604   0.935   4.926
  115    HD3  ARG  14           HD1      ARG  14   4.498   1.716   3.801
  116    HE   ARG  14           HE       ARG  14   3.662  -0.955   4.322
  117   HH11  ARG  14          HH21      ARG  14   3.859   2.216   5.689
  118   HH12  ARG  14          HH22      ARG  14   2.490   2.002   6.730
  119   HH21  ARG  14          HH11      ARG  14   1.866  -1.243   5.683
  120   HH22  ARG  14          HH12      ARG  14   1.361   0.044   6.726
  121    H    SER  15           HN       SER  15   3.855  -2.761   0.644
  122    HA   SER  15           HA       SER  15   5.490  -4.465   2.217
  123    HB2  SER  15           HB2      SER  15   3.956  -6.251   1.464
  124    HB3  SER  15           HB1      SER  15   3.084  -4.822   2.011
  125    HG   SER  15           HG       SER  15   2.547  -4.355  -0.021
  126    H    ILE  16           HN       ILE  16   5.025  -4.139  -1.276
  127    HA   ILE  16           HA       ILE  16   6.663  -6.321  -2.044
  128    HB   ILE  16           HB       ILE  16   5.897  -3.789  -3.516
  129   HG12  ILE  16          HG12      ILE  16   4.946  -6.641  -3.893
  130   HG13  ILE  16          HG11      ILE  16   4.119  -5.490  -2.845
  131   HG21  ILE  16          HG21      ILE  16   7.893  -4.558  -4.576
  132   HG22  ILE  16          HG22      ILE  16   6.568  -5.201  -5.547
  133   HG23  ILE  16          HG23      ILE  16   7.418  -6.247  -4.410
  134   HD11  ILE  16          HD11      ILE  16   4.661  -5.108  -5.805
  135   HD12  ILE  16          HD12      ILE  16   3.843  -3.949  -4.757
  136   HD13  ILE  16          HD13      ILE  16   3.099  -5.513  -5.089
  137    H    GLY  17           HN       GLY  17   7.347  -2.867  -1.609
  138    HA2  GLY  17           HA2      GLY  17  10.045  -2.929  -2.436
  139    HA3  GLY  17           HA1      GLY  17   9.325  -1.711  -1.387
  140    H    ARG  18           HN       ARG  18   8.493  -3.588   0.651
  141    HA   ARG  18           HA       ARG  18  10.797  -3.574   2.284
  142    HB2  ARG  18           HB2      ARG  18   8.393  -3.632   3.075
  143    HB3  ARG  18           HB1      ARG  18   8.370  -5.343   2.658
  144    HG2  ARG  18           HG2      ARG  18   9.009  -5.511   4.887
  145    HG3  ARG  18           HG1      ARG  18  10.602  -5.382   4.145
  146    HD2  ARG  18           HD2      ARG  18  10.484  -3.831   6.010
  147    HD3  ARG  18           HD1      ARG  18  10.519  -2.908   4.510
  148    HE   ARG  18           HE       ARG  18   7.831  -3.409   5.295
  149   HH11  ARG  18          HH21      ARG  18  10.647  -1.556   6.076
  150   HH12  ARG  18          HH22      ARG  18   9.757  -0.235   6.758
  151   HH21  ARG  18          HH11      ARG  18   6.658  -1.680   6.187
  152   HH22  ARG  18          HH12      ARG  18   7.499  -0.306   6.821
  153    H    PHE  19           HN       PHE  19   9.223  -6.199   0.464
  154    HA   PHE  19           HA       PHE  19  10.926  -8.279   1.314
  155    HB2  PHE  19           HB2      PHE  19   9.225  -7.884  -1.147
  156    HB3  PHE  19           HB1      PHE  19  10.187  -9.343  -0.914
  157    HD1  PHE  19           HD2      PHE  19   9.964 -10.413   1.527
  158    HD2  PHE  19           HD1      PHE  19   7.022  -7.903  -0.342
  159    HE1  PHE  19           HE2      PHE  19   8.218 -11.345   3.022
  160    HE2  PHE  19           HE1      PHE  19   5.277  -8.834   1.152
  161    HZ   PHE  19           HZ       PHE  19   5.875 -10.557   2.834
  162    H    LEU  20           HN       LEU  20  11.195  -5.908  -1.285
  163    HA   LEU  20           HA       LEU  20  13.334  -7.039  -2.691
  164    HB2  LEU  20           HB2      LEU  20  12.064  -5.116  -3.546
  165    HB3  LEU  20           HB1      LEU  20  12.700  -4.104  -2.251
  166    HG   LEU  20           HG       LEU  20  14.996  -4.448  -3.106
  167   HD11  LEU  20          HD11      LEU  20  15.078  -6.538  -4.142
  168   HD12  LEU  20          HD12      LEU  20  15.008  -5.476  -5.548
  169   HD13  LEU  20          HD13      LEU  20  13.552  -6.299  -4.989
  170   HD21  LEU  20          HD21      LEU  20  13.729  -2.531  -3.950
  171   HD22  LEU  20          HD22      LEU  20  12.998  -3.536  -5.203
  172   HD23  LEU  20          HD23      LEU  20  14.728  -3.198  -5.240
  173    H    THR  21           HN       THR  21  13.279  -5.020   0.215
  174    HA   THR  21           HA       THR  21  15.970  -4.382   0.435
  175    HB   THR  21           HB       THR  21  14.094  -5.126   2.693
  176    HG1  THR  21           HG1      THR  21  13.302  -3.490   1.299
  177   HG21  THR  21          HG21      THR  21  15.606  -3.333   3.831
  178   HG22  THR  21          HG22      THR  21  16.750  -3.708   2.543
  179   HG23  THR  21          HG23      THR  21  16.228  -4.972   3.657
  180    H    GLY  22           HN       GLY  22  17.541  -5.328   2.040
  181    HA2  GLY  22           HA2      GLY  22  18.822  -7.073   2.821
  182    HA3  GLY  22           HA1      GLY  22  17.386  -8.089   2.734
  183    HN1  NH2  23           HT1      GLY  22  18.577  -7.930  -1.096
  184    HN2  NH2  23           HT2      GLY  22  17.664  -6.703  -0.282
  Start of MODEL    4
    1    H1   PHE   1           HT1      PHE   1 -15.363   5.823   1.210
    2    H2   PHE   1           HT2      PHE   1 -13.676   5.985   1.091
    3    H3   PHE   1           HT3      PHE   1 -14.360   5.117   2.382
    4    HA   PHE   1           HA       PHE   1 -14.045   3.289   1.187
    5    HB2  PHE   1           HB2      PHE   1 -16.447   3.575   0.855
    6    HB3  PHE   1           HB1      PHE   1 -16.156   4.615  -0.539
    7    HD1  PHE   1           HD1      PHE   1 -15.603   1.165   0.776
    8    HD2  PHE   1           HD2      PHE   1 -15.806   3.691  -2.694
    9    HE1  PHE   1           HE1      PHE   1 -15.490  -0.834  -0.688
   10    HE2  PHE   1           HE2      PHE   1 -15.692   1.692  -4.156
   11    HZ   PHE   1           HZ       PHE   1 -15.534  -0.571  -3.153
   12    H    ILE   2           HN       ILE   2 -14.102   6.150  -0.895
   13    HA   ILE   2           HA       ILE   2 -12.678   4.996  -3.060
   14    HB   ILE   2           HB       ILE   2 -12.323   7.345  -3.777
   15   HG12  ILE   2          HG12      ILE   2 -13.738   8.018  -1.176
   16   HG13  ILE   2          HG11      ILE   2 -12.025   8.294  -1.485
   17   HG21  ILE   2          HG21      ILE   2 -14.464   6.069  -4.169
   18   HG22  ILE   2          HG22      ILE   2 -14.661   7.821  -4.148
   19   HG23  ILE   2          HG23      ILE   2 -15.131   6.862  -2.742
   20   HD11  ILE   2          HD11      ILE   2 -13.243  10.360  -1.910
   21   HD12  ILE   2          HD12      ILE   2 -14.345   9.521  -3.001
   22   HD13  ILE   2          HD13      ILE   2 -12.649   9.719  -3.441
   23    H    HIS   3           HN       HIS   3 -11.649   6.652  -0.117
   24    HA   HIS   3           HA       HIS   3  -8.984   7.148  -0.795
   25    HB2  HIS   3           HB2      HIS   3  -8.534   7.229   1.582
   26    HB3  HIS   3           HB1      HIS   3 -10.104   7.966   1.272
   27    HD2  HIS   3           HD2      HIS   3  -8.636   5.272   3.517
   28    HE1  HIS   3           HE1      HIS   3 -12.791   4.530   3.400
   29    HE2  HIS   3           HE2      HIS   3 -10.624   3.969   4.598
   30    H    HIS   4           HN       HIS   4 -10.458   4.203   0.596
   31    HA   HIS   4           HA       HIS   4  -8.204   2.736   1.074
   32    HB2  HIS   4           HB2      HIS   4 -10.943   1.884   0.152
   33    HB3  HIS   4           HB1      HIS   4  -9.687   0.713   0.547
   34    HD2  HIS   4           HD2      HIS   4 -12.526   2.008   2.417
   35    HE1  HIS   4           HE1      HIS   4  -9.446   2.071   5.301
   36    HE2  HIS   4           HE2      HIS   4 -11.959   2.189   4.959
   37    H    ILE   5           HN       ILE   5  -9.787   3.136  -2.126
   38    HA   ILE   5           HA       ILE   5  -8.322   1.135  -3.437
   39    HB   ILE   5           HB       ILE   5  -9.341   3.755  -4.554
   40   HG12  ILE   5          HG12      ILE   5 -10.985   2.141  -3.293
   41   HG13  ILE   5          HG11      ILE   5 -11.444   2.768  -4.870
   42   HG21  ILE   5          HG21      ILE   5  -9.520   2.258  -6.653
   43   HG22  ILE   5          HG22      ILE   5  -8.412   1.176  -5.810
   44   HG23  ILE   5          HG23      ILE   5  -7.918   2.827  -6.183
   45   HD11  ILE   5          HD11      ILE   5 -11.010   0.721  -5.950
   46   HD12  ILE   5          HD12      ILE   5 -11.743   0.225  -4.427
   47   HD13  ILE   5          HD13      ILE   5  -9.998   0.127  -4.637
   48    H    PHE   6           HN       PHE   6  -7.650   4.623  -3.103
   49    HA   PHE   6           HA       PHE   6  -5.159   4.494  -4.505
   50    HB2  PHE   6           HB2      PHE   6  -6.373   6.563  -2.668
   51    HB3  PHE   6           HB1      PHE   6  -4.809   6.773  -3.455
   52    HD1  PHE   6           HD2      PHE   6  -4.667   6.706  -5.972
   53    HD2  PHE   6           HD1      PHE   6  -8.413   6.861  -3.876
   54    HE1  PHE   6           HE2      PHE   6  -5.802   7.435  -8.053
   55    HE2  PHE   6           HE1      PHE   6  -9.548   7.588  -5.956
   56    HZ   PHE   6           HZ       PHE   6  -8.242   7.877  -8.045
   57    H    ARG   7           HN       ARG   7  -6.116   4.393  -1.118
   58    HA   ARG   7           HA       ARG   7  -3.555   4.556   0.041
   59    HB2  ARG   7           HB2      ARG   7  -5.804   4.769   1.212
   60    HB3  ARG   7           HB1      ARG   7  -5.890   3.011   1.164
   61    HG2  ARG   7           HG2      ARG   7  -4.890   3.298   3.243
   62    HG3  ARG   7           HG1      ARG   7  -3.452   3.178   2.233
   63    HD2  ARG   7           HD2      ARG   7  -3.445   5.690   2.065
   64    HD3  ARG   7           HD1      ARG   7  -4.777   5.723   3.215
   65    HE   ARG   7           HE       ARG   7  -2.451   4.254   4.131
   66   HH11  ARG   7          HH21      ARG   7  -4.080   7.298   3.897
   67   HH12  ARG   7          HH22      ARG   7  -3.249   8.002   5.243
   68   HH21  ARG   7          HH11      ARG   7  -1.351   5.174   5.892
   69   HH22  ARG   7          HH12      ARG   7  -1.703   6.801   6.373
   70    H    GLY   8           HN       GLY   8  -5.405   1.805  -1.188
   71    HA2  GLY   8           HA2      GLY   8  -3.713  -0.232  -0.147
   72    HA3  GLY   8           HA1      GLY   8  -4.856  -0.408  -1.474
   73    H    ILE   9           HN       ILE   9  -3.676   1.700  -3.089
   74    HA   ILE   9           HA       ILE   9  -1.826   0.177  -4.579
   75    HB   ILE   9           HB       ILE   9  -2.399   3.147  -4.585
   76   HG12  ILE   9          HG12      ILE   9  -4.202   1.341  -5.207
   77   HG13  ILE   9          HG11      ILE   9  -3.979   2.730  -6.261
   78   HG21  ILE   9          HG21      ILE   9  -1.408   2.929  -6.965
   79   HG22  ILE   9          HG22      ILE   9  -0.669   1.443  -6.372
   80   HG23  ILE   9          HG23      ILE   9  -0.283   2.985  -5.609
   81   HD11  ILE   9          HD11      ILE   9  -2.861   1.471  -7.899
   82   HD12  ILE   9          HD12      ILE   9  -4.103   0.357  -7.333
   83   HD13  ILE   9          HD13      ILE   9  -2.444   0.183  -6.774
   84    H    VAL  10           HN       VAL  10  -1.302   2.970  -2.427
   85    HA   VAL  10           HA       VAL  10   1.525   2.951  -2.704
   86    HB   VAL  10           HB       VAL  10   0.436   4.966  -1.962
   87   HG11  VAL  10          HG11      VAL  10  -0.670   5.063   0.258
   88   HG12  VAL  10          HG12      VAL  10  -0.454   3.320   0.423
   89   HG13  VAL  10          HG13      VAL  10  -1.488   3.967  -0.851
   90   HG21  VAL  10          HG21      VAL  10   1.905   3.881   0.452
   91   HG22  VAL  10          HG22      VAL  10   1.869   5.543  -0.143
   92   HG23  VAL  10          HG23      VAL  10   2.739   4.302  -1.045
   93    H    HIS  11           HN       HIS  11  -0.680   1.392  -0.437
   94    HA   HIS  11           HA       HIS  11   1.290   0.471   1.389
   95    HB2  HIS  11           HB2      HIS  11  -1.176   0.540   1.838
   96    HB3  HIS  11           HB1      HIS  11  -1.368  -0.822   0.734
   97    HD2  HIS  11           HD2      HIS  11  -0.001  -0.111   4.340
   98    HE1  HIS  11           HE1      HIS  11   0.225  -4.270   3.660
   99    HE2  HIS  11           HE2      HIS  11   0.478  -2.445   5.407
  100    H    ALA  12           HN       ALA  12  -0.233  -0.998  -1.461
  101    HA   ALA  12           HA       ALA  12   0.971  -3.524  -1.332
  102    HB1  ALA  12           HB1      ALA  12  -0.893  -2.793  -2.877
  103    HB2  ALA  12           HB2      ALA  12   0.373  -3.752  -3.645
  104    HB3  ALA  12           HB3      ALA  12   0.334  -2.003  -3.867
  105    H    GLY  13           HN       GLY  13   2.253  -0.430  -2.183
  106    HA2  GLY  13           HA2      GLY  13   4.564  -1.424  -3.620
  107    HA3  GLY  13           HA1      GLY  13   4.293   0.234  -3.092
  108    H    ARG  14           HN       ARG  14   3.685  -0.539  -0.381
  109    HA   ARG  14           HA       ARG  14   6.311  -0.419   0.730
  110    HB2  ARG  14           HB2      ARG  14   3.648  -0.943   2.072
  111    HB3  ARG  14           HB1      ARG  14   5.148  -0.580   2.919
  112    HG2  ARG  14           HG2      ARG  14   4.103   1.290   0.794
  113    HG3  ARG  14           HG1      ARG  14   3.480   1.369   2.439
  114    HD2  ARG  14           HD2      ARG  14   6.393   1.661   1.630
  115    HD3  ARG  14           HD1      ARG  14   5.326   2.957   2.146
  116    HE   ARG  14           HE       ARG  14   6.586   0.971   3.854
  117   HH11  ARG  14          HH21      ARG  14   4.088   3.327   3.436
  118   HH12  ARG  14          HH22      ARG  14   3.865   3.594   5.134
  119   HH21  ARG  14          HH11      ARG  14   6.301   1.315   6.081
  120   HH22  ARG  14          HH12      ARG  14   5.118   2.454   6.631
  121    H    SER  15           HN       SER  15   3.893  -3.015   0.522
  122    HA   SER  15           HA       SER  15   5.332  -4.903   2.077
  123    HB2  SER  15           HB2      SER  15   3.810  -6.559   1.083
  124    HB3  SER  15           HB1      SER  15   2.933  -5.125   1.610
  125    HG   SER  15           HG       SER  15   3.751  -4.689  -0.861
  126    H    ILE  16           HN       ILE  16   5.001  -4.551  -1.438
  127    HA   ILE  16           HA       ILE  16   6.783  -6.649  -2.120
  128    HB   ILE  16           HB       ILE  16   5.122  -5.617  -3.680
  129   HG12  ILE  16          HG12      ILE  16   7.958  -5.478  -4.742
  130   HG13  ILE  16          HG11      ILE  16   7.126  -6.996  -4.413
  131   HG21  ILE  16          HG21      ILE  16   5.821  -3.251  -2.956
  132   HG22  ILE  16          HG22      ILE  16   5.511  -3.503  -4.670
  133   HG23  ILE  16          HG23      ILE  16   7.171  -3.434  -4.075
  134   HD11  ILE  16          HD11      ILE  16   5.884  -4.883  -6.177
  135   HD12  ILE  16          HD12      ILE  16   5.493  -6.599  -6.079
  136   HD13  ILE  16          HD13      ILE  16   7.004  -6.081  -6.825
  137    H    GLY  17           HN       GLY  17   7.264  -3.177  -1.657
  138    HA2  GLY  17           HA2      GLY  17   9.994  -3.093  -2.433
  139    HA3  GLY  17           HA1      GLY  17   9.168  -1.903  -1.432
  140    H    ARG  18           HN       ARG  18   8.347  -3.809   0.576
  141    HA   ARG  18           HA       ARG  18  10.541  -3.625   2.337
  142    HB2  ARG  18           HB2      ARG  18   8.187  -3.806   3.086
  143    HB3  ARG  18           HB1      ARG  18   8.153  -5.478   2.536
  144    HG2  ARG  18           HG2      ARG  18   8.577  -5.407   4.944
  145    HG3  ARG  18           HG1      ARG  18  10.007  -6.012   4.113
  146    HD2  ARG  18           HD2      ARG  18  11.224  -4.063   4.509
  147    HD3  ARG  18           HD1      ARG  18   9.781  -3.060   4.639
  148    HE   ARG  18           HE       ARG  18   9.967  -5.003   6.753
  149   HH11  ARG  18          HH21      ARG  18  11.034  -1.924   5.588
  150   HH12  ARG  18          HH22      ARG  18  11.370  -1.289   7.165
  151   HH21  ARG  18          HH11      ARG  18  10.403  -4.176   8.824
  152   HH22  ARG  18          HH12      ARG  18  11.011  -2.563   8.997
  153    H    PHE  19           HN       PHE  19   9.293  -6.383   0.466
  154    HA   PHE  19           HA       PHE  19  11.137  -8.292   1.442
  155    HB2  PHE  19           HB2      PHE  19   9.560  -8.151  -1.131
  156    HB3  PHE  19           HB1      PHE  19  10.575  -9.526  -0.696
  157    HD1  PHE  19           HD2      PHE  19  10.196 -10.512   1.713
  158    HD2  PHE  19           HD1      PHE  19   7.325  -8.119  -0.402
  159    HE1  PHE  19           HE2      PHE  19   8.386 -11.414   3.149
  160    HE2  PHE  19           HE1      PHE  19   5.515  -9.020   1.034
  161    HZ   PHE  19           HZ       PHE  19   6.046 -10.668   2.810
  162    H    LEU  20           HN       LEU  20  11.314  -5.918  -1.133
  163    HA   LEU  20           HA       LEU  20  13.540  -6.880  -2.530
  164    HB2  LEU  20           HB2      LEU  20  12.087  -4.980  -3.255
  165    HB3  LEU  20           HB1      LEU  20  12.840  -3.980  -2.016
  166    HG   LEU  20           HG       LEU  20  15.063  -4.400  -3.074
  167   HD11  LEU  20          HD11      LEU  20  14.962  -6.388  -4.283
  168   HD12  LEU  20          HD12      LEU  20  14.754  -5.222  -5.584
  169   HD13  LEU  20          HD13      LEU  20  13.349  -6.050  -4.915
  170   HD21  LEU  20          HD21      LEU  20  14.520  -3.055  -5.193
  171   HD22  LEU  20          HD22      LEU  20  14.001  -2.351  -3.662
  172   HD23  LEU  20          HD23      LEU  20  12.831  -3.166  -4.700
  173    H    THR  21           HN       THR  21  13.317  -5.028   0.454
  174    HA   THR  21           HA       THR  21  15.913  -4.129   0.742
  175    HB   THR  21           HB       THR  21  13.847  -3.884   2.321
  176    HG1  THR  21           HG1      THR  21  16.109  -4.196   3.854
  177   HG21  THR  21          HG21      THR  21  13.977  -6.465   2.777
  178   HG22  THR  21          HG22      THR  21  13.636  -5.371   4.119
  179   HG23  THR  21          HG23      THR  21  15.260  -6.020   3.898
  180    H    GLY  22           HN       GLY  22  17.849  -4.981   1.356
  181    HA2  GLY  22           HA2      GLY  22  19.414  -6.575   1.996
  182    HA3  GLY  22           HA1      GLY  22  18.096  -7.702   2.304
  183    HN1  NH2  23           HT1      GLY  22  18.273  -7.641  -1.707
  184    HN2  NH2  23           HT2      GLY  22  17.490  -6.451  -0.723
  Start of MODEL    5
    1    H1   PHE   1           HT1      PHE   1 -14.563   3.641   1.762
    2    H2   PHE   1           HT2      PHE   1 -14.782   4.927   0.675
    3    H3   PHE   1           HT3      PHE   1 -13.239   4.600   1.308
    4    HA   PHE   1           HA       PHE   1 -13.420   2.345   0.211
    5    HB2  PHE   1           HB2      PHE   1 -15.651   3.859  -1.176
    6    HB3  PHE   1           HB1      PHE   1 -14.966   2.340  -1.753
    7    HD1  PHE   1           HD1      PHE   1 -15.132   0.277  -0.316
    8    HD2  PHE   1           HD2      PHE   1 -17.222   3.911   0.619
    9    HE1  PHE   1           HE1      PHE   1 -16.628  -0.977   1.214
   10    HE2  PHE   1           HE2      PHE   1 -18.717   2.657   2.149
   11    HZ   PHE   1           HZ       PHE   1 -18.420   0.213   2.447
   12    H    ILE   2           HN       ILE   2 -14.012   5.586  -1.174
   13    HA   ILE   2           HA       ILE   2 -12.362   5.431  -3.386
   14    HB   ILE   2           HB       ILE   2 -12.994   7.777  -1.583
   15   HG12  ILE   2          HG12      ILE   2 -14.447   8.382  -3.561
   16   HG13  ILE   2          HG11      ILE   2 -14.047   6.817  -4.263
   17   HG21  ILE   2          HG21      ILE   2 -10.995   8.442  -2.657
   18   HG22  ILE   2          HG22      ILE   2 -12.274   9.111  -3.670
   19   HG23  ILE   2          HG23      ILE   2 -11.434   7.639  -4.164
   20   HD11  ILE   2          HD11      ILE   2 -15.237   5.635  -2.637
   21   HD12  ILE   2          HD12      ILE   2 -16.240   7.065  -2.850
   22   HD13  ILE   2          HD13      ILE   2 -15.155   6.951  -1.466
   23    H    HIS   3           HN       HIS   3 -11.484   6.222  -0.016
   24    HA   HIS   3           HA       HIS   3  -8.742   6.756  -0.630
   25    HB2  HIS   3           HB2      HIS   3  -8.616   6.255   1.991
   26    HB3  HIS   3           HB1      HIS   3  -9.352   7.735   1.375
   27    HD2  HIS   3           HD2      HIS   3 -12.224   7.774   1.478
   28    HE1  HIS   3           HE1      HIS   3 -12.562   4.306   3.860
   29    HE2  HIS   3           HE2      HIS   3 -13.826   6.295   2.914
   30    H    HIS   4           HN       HIS   4 -10.464   3.906   0.680
   31    HA   HIS   4           HA       HIS   4  -8.409   2.233   1.240
   32    HB2  HIS   4           HB2      HIS   4 -11.055   1.660  -0.082
   33    HB3  HIS   4           HB1      HIS   4  -9.960   0.368   0.405
   34    HD2  HIS   4           HD2      HIS   4 -12.298  -0.047   2.295
   35    HE1  HIS   4           HE1      HIS   4 -10.779   2.856   4.958
   36    HE2  HIS   4           HE2      HIS   4 -12.423   0.936   4.710
   37    H    ILE   5           HN       ILE   5  -9.847   2.488  -2.066
   38    HA   ILE   5           HA       ILE   5  -8.072   0.677  -3.277
   39    HB   ILE   5           HB       ILE   5 -10.083   1.298  -4.419
   40   HG12  ILE   5          HG12      ILE   5  -7.887   2.694  -5.958
   41   HG13  ILE   5          HG11      ILE   5  -7.936   0.940  -5.782
   42   HG21  ILE   5          HG21      ILE   5  -9.033   4.141  -4.522
   43   HG22  ILE   5          HG22      ILE   5 -10.249   3.573  -3.384
   44   HG23  ILE   5          HG23      ILE   5 -10.593   3.571  -5.108
   45   HD11  ILE   5          HD11      ILE   5 -10.162   2.642  -6.944
   46   HD12  ILE   5          HD12      ILE   5 -10.171   0.883  -6.804
   47   HD13  ILE   5          HD13      ILE   5  -9.023   1.677  -7.882
   48    H    PHE   6           HN       PHE   6  -7.863   4.236  -2.974
   49    HA   PHE   6           HA       PHE   6  -5.420   4.464  -4.419
   50    HB2  PHE   6           HB2      PHE   6  -7.115   6.227  -2.724
   51    HB3  PHE   6           HB1      PHE   6  -5.427   6.707  -2.870
   52    HD1  PHE   6           HD2      PHE   6  -4.446   6.615  -5.319
   53    HD2  PHE   6           HD1      PHE   6  -8.628   6.929  -4.389
   54    HE1  PHE   6           HE2      PHE   6  -4.878   7.544  -7.578
   55    HE2  PHE   6           HE1      PHE   6  -9.060   7.858  -6.647
   56    HZ   PHE   6           HZ       PHE   6  -7.187   8.165  -8.242
   57    H    ARG   7           HN       ARG   7  -6.145   4.323  -0.965
   58    HA   ARG   7           HA       ARG   7  -3.463   4.564  -0.067
   59    HB2  ARG   7           HB2      ARG   7  -5.909   3.414   1.281
   60    HB3  ARG   7           HB1      ARG   7  -4.356   3.632   2.086
   61    HG2  ARG   7           HG2      ARG   7  -4.464   6.077   1.422
   62    HG3  ARG   7           HG1      ARG   7  -6.118   5.786   0.892
   63    HD2  ARG   7           HD2      ARG   7  -5.080   5.254   3.687
   64    HD3  ARG   7           HD1      ARG   7  -6.016   6.668   3.213
   65    HE   ARG   7           HE       ARG   7  -7.466   4.386   2.456
   66   HH11  ARG   7          HH21      ARG   7  -6.297   5.991   5.290
   67   HH12  ARG   7          HH22      ARG   7  -7.585   5.433   6.305
   68   HH21  ARG   7          HH11      ARG   7  -9.158   3.650   3.782
   69   HH22  ARG   7          HH12      ARG   7  -9.205   4.109   5.452
   70    H    GLY   8           HN       GLY   8  -5.455   1.797  -0.972
   71    HA2  GLY   8           HA2      GLY   8  -3.844  -0.257   0.110
   72    HA3  GLY   8           HA1      GLY   8  -4.958  -0.422  -1.241
   73    H    ILE   9           HN       ILE   9  -3.733   1.508  -2.941
   74    HA   ILE   9           HA       ILE   9  -1.794  -0.121  -4.228
   75    HB   ILE   9           HB       ILE   9  -2.520   2.795  -4.603
   76   HG12  ILE   9          HG12      ILE   9  -3.114   0.396  -6.356
   77   HG13  ILE   9          HG11      ILE   9  -4.219   0.952  -5.101
   78   HG21  ILE   9          HG21      ILE   9  -0.315   2.609  -5.475
   79   HG22  ILE   9          HG22      ILE   9  -1.369   2.393  -6.871
   80   HG23  ILE   9          HG23      ILE   9  -0.618   0.992  -6.108
   81   HD11  ILE   9          HD11      ILE   9  -3.185   2.926  -7.124
   82   HD12  ILE   9          HD12      ILE   9  -4.697   2.945  -6.215
   83   HD13  ILE   9          HD13      ILE   9  -4.497   1.833  -7.568
   84    H    VAL  10           HN       VAL  10  -1.526   2.821  -2.254
   85    HA   VAL  10           HA       VAL  10   1.295   3.049  -2.450
   86    HB   VAL  10           HB       VAL  10  -0.641   4.082  -0.366
   87   HG11  VAL  10          HG11      VAL  10   2.312   4.558  -0.806
   88   HG12  VAL  10          HG12      VAL  10   1.497   4.082   0.684
   89   HG13  VAL  10          HG13      VAL  10   1.296   5.716   0.052
   90   HG21  VAL  10          HG21      VAL  10  -0.453   6.175  -1.599
   91   HG22  VAL  10          HG22      VAL  10  -0.923   4.898  -2.721
   92   HG23  VAL  10          HG23      VAL  10   0.745   5.468  -2.683
   93    H    HIS  11           HN       HIS  11  -0.828   1.578  -0.017
   94    HA   HIS  11           HA       HIS  11   1.256   0.779   1.744
   95    HB2  HIS  11           HB2      HIS  11  -1.092   0.953   2.459
   96    HB3  HIS  11           HB1      HIS  11  -1.514  -0.388   1.396
   97    HD2  HIS  11           HD2      HIS  11   0.264   0.202   4.838
   98    HE1  HIS  11           HE1      HIS  11   0.101  -3.960   4.159
   99    HE2  HIS  11           HE2      HIS  11   0.668  -2.165   5.862
  100    H    ALA  12           HN       ALA  12  -0.575  -0.992  -0.749
  101    HA   ALA  12           HA       ALA  12   0.814  -3.444  -0.432
  102    HB1  ALA  12           HB1      ALA  12  -0.612  -2.398  -2.888
  103    HB2  ALA  12           HB2      ALA  12  -1.398  -3.227  -1.544
  104    HB3  ALA  12           HB3      ALA  12  -0.218  -4.080  -2.539
  105    H    GLY  13           HN       GLY  13   1.417  -0.553  -2.311
  106    HA2  GLY  13           HA2      GLY  13   3.476  -1.722  -3.955
  107    HA3  GLY  13           HA1      GLY  13   3.102  -0.006  -3.816
  108    H    ARG  14           HN       ARG  14   3.499   0.618  -1.277
  109    HA   ARG  14           HA       ARG  14   6.220   0.963  -0.967
  110    HB2  ARG  14           HB2      ARG  14   4.494   2.196   0.325
  111    HB3  ARG  14           HB1      ARG  14   4.211   0.745   1.288
  112    HG2  ARG  14           HG2      ARG  14   6.552   0.771   2.047
  113    HG3  ARG  14           HG1      ARG  14   6.867   2.195   1.054
  114    HD2  ARG  14           HD2      ARG  14   5.197   3.468   2.343
  115    HD3  ARG  14           HD1      ARG  14   4.867   2.046   3.328
  116    HE   ARG  14           HE       ARG  14   7.599   2.487   3.523
  117   HH11  ARG  14          HH21      ARG  14   4.657   4.190   4.174
  118   HH12  ARG  14          HH22      ARG  14   5.316   5.105   5.490
  119   HH21  ARG  14          HH11      ARG  14   8.469   3.682   5.248
  120   HH22  ARG  14          HH12      ARG  14   7.474   4.817   6.097
  121    H    SER  15           HN       SER  15   4.241  -1.745   0.036
  122    HA   SER  15           HA       SER  15   6.094  -3.014   1.759
  123    HB2  SER  15           HB2      SER  15   4.738  -5.015   1.438
  124    HB3  SER  15           HB1      SER  15   3.698  -3.609   1.644
  125    HG   SER  15           HG       SER  15   2.881  -4.179  -0.200
  126    H    ILE  16           HN       ILE  16   5.701  -2.999  -1.706
  127    HA   ILE  16           HA       ILE  16   7.199  -5.222  -2.452
  128    HB   ILE  16           HB       ILE  16   5.937  -3.415  -3.915
  129   HG12  ILE  16          HG12      ILE  16   7.619  -4.111  -5.872
  130   HG13  ILE  16          HG11      ILE  16   8.289  -5.160  -4.625
  131   HG21  ILE  16          HG21      ILE  16   7.285  -1.755  -4.950
  132   HG22  ILE  16          HG22      ILE  16   8.776  -2.474  -4.341
  133   HG23  ILE  16          HG23      ILE  16   7.685  -1.647  -3.240
  134   HD11  ILE  16          HD11      ILE  16   5.425  -5.115  -5.623
  135   HD12  ILE  16          HD12      ILE  16   5.966  -6.060  -4.238
  136   HD13  ILE  16          HD13      ILE  16   6.606  -6.406  -5.843
  137    H    GLY  17           HN       GLY  17   8.335  -2.011  -1.503
  138    HA2  GLY  17           HA2      GLY  17  11.073  -2.410  -2.109
  139    HA3  GLY  17           HA1      GLY  17  10.429  -1.205  -1.003
  140    H    ARG  18           HN       ARG  18   9.200  -2.853   0.864
  141    HA   ARG  18           HA       ARG  18  11.400  -3.561   2.515
  142    HB2  ARG  18           HB2      ARG  18   9.080  -2.853   3.286
  143    HB3  ARG  18           HB1      ARG  18   8.549  -4.484   2.890
  144    HG2  ARG  18           HG2      ARG  18   9.108  -4.790   5.127
  145    HG3  ARG  18           HG1      ARG  18  10.654  -5.181   4.379
  146    HD2  ARG  18           HD2      ARG  18  11.383  -2.826   4.718
  147    HD3  ARG  18           HD1      ARG  18   9.855  -2.486   5.524
  148    HE   ARG  18           HE       ARG  18  12.095  -4.010   6.605
  149   HH11  ARG  18          HH21      ARG  18   8.751  -3.143   6.793
  150   HH12  ARG  18          HH22      ARG  18   8.600  -3.540   8.472
  151   HH21  ARG  18          HH11      ARG  18  11.906  -4.533   8.806
  152   HH22  ARG  18          HH12      ARG  18  10.386  -4.328   9.612
  153    H    PHE  19           HN       PHE  19   9.090  -5.503   0.641
  154    HA   PHE  19           HA       PHE  19   9.952  -8.045   1.477
  155    HB2  PHE  19           HB2      PHE  19   7.858  -7.662   0.240
  156    HB3  PHE  19           HB1      PHE  19   8.787  -7.232  -1.198
  157    HD1  PHE  19           HD2      PHE  19   8.081  -9.983   1.208
  158    HD2  PHE  19           HD1      PHE  19   9.739  -8.905  -2.606
  159    HE1  PHE  19           HE2      PHE  19   8.270 -12.383   0.611
  160    HE2  PHE  19           HE1      PHE  19   9.928 -11.305  -3.203
  161    HZ   PHE  19           HZ       PHE  19   9.194 -13.044  -1.593
  162    H    LEU  20           HN       LEU  20  11.126  -5.897  -1.064
  163    HA   LEU  20           HA       LEU  20  12.822  -7.704  -2.384
  164    HB2  LEU  20           HB2      LEU  20  12.812  -4.712  -2.084
  165    HB3  LEU  20           HB1      LEU  20  14.129  -5.509  -2.936
  166    HG   LEU  20           HG       LEU  20  11.214  -5.995  -3.617
  167   HD11  LEU  20          HD11      LEU  20  11.781  -4.429  -5.593
  168   HD12  LEU  20          HD12      LEU  20  13.124  -3.870  -4.597
  169   HD13  LEU  20          HD13      LEU  20  11.466  -3.677  -4.031
  170   HD21  LEU  20          HD21      LEU  20  12.440  -7.708  -4.645
  171   HD22  LEU  20          HD22      LEU  20  13.873  -6.706  -4.856
  172   HD23  LEU  20          HD23      LEU  20  12.476  -6.479  -5.902
  173    H    THR  21           HN       THR  21  13.373  -5.696   0.493
  174    HA   THR  21           HA       THR  21  16.111  -5.939   0.780
  175    HB   THR  21           HB       THR  21  15.771  -5.586   3.140
  176    HG1  THR  21           HG1      THR  21  13.813  -6.005   4.094
  177   HG21  THR  21          HG21      THR  21  14.275  -3.681   3.092
  178   HG22  THR  21          HG22      THR  21  13.461  -4.309   1.661
  179   HG23  THR  21          HG23      THR  21  15.130  -3.751   1.550
  180    H    GLY  22           HN       GLY  22  13.728  -8.110   2.355
  181    HA2  GLY  22           HA2      GLY  22  15.486 -10.409   1.817
  182    HA3  GLY  22           HA1      GLY  22  15.110 -10.029   3.497
  183    HN1  NH2  23           HT1      GLY  22  11.468 -10.453   1.871
  184    HN2  NH2  23           HT2      GLY  22  12.447  -9.028   1.771
  Start of MODEL    6
    1    H1   PHE   1           HT1      PHE   1 -13.159   6.651   1.062
    2    H2   PHE   1           HT2      PHE   1 -14.236   5.618   1.876
    3    H3   PHE   1           HT3      PHE   1 -14.788   6.588   0.593
    4    HA   PHE   1           HA       PHE   1 -13.382   4.057   0.538
    5    HB2  PHE   1           HB2      PHE   1 -15.280   5.538  -1.302
    6    HB3  PHE   1           HB1      PHE   1 -14.634   3.932  -1.642
    7    HD1  PHE   1           HD1      PHE   1 -15.194   2.010  -0.183
    8    HD2  PHE   1           HD2      PHE   1 -16.970   5.879   0.396
    9    HE1  PHE   1           HE1      PHE   1 -16.942   0.994   1.253
   10    HE2  PHE   1           HE2      PHE   1 -18.718   4.863   1.832
   11    HZ   PHE   1           HZ       PHE   1 -18.703   2.420   2.262
   12    H    ILE   2           HN       ILE   2 -13.143   7.275  -0.854
   13    HA   ILE   2           HA       ILE   2 -11.549   6.824  -3.066
   14    HB   ILE   2           HB       ILE   2 -11.441   9.114  -1.086
   15   HG12  ILE   2          HG12      ILE   2 -12.772   8.927  -3.807
   16   HG13  ILE   2          HG11      ILE   2 -13.624   8.628  -2.292
   17   HG21  ILE   2          HG21      ILE   2 -10.248   8.769  -3.851
   18   HG22  ILE   2          HG22      ILE   2  -9.397   9.165  -2.357
   19   HG23  ILE   2          HG23      ILE   2 -10.478  10.345  -3.095
   20   HD11  ILE   2          HD11      ILE   2 -12.812  10.937  -1.542
   21   HD12  ILE   2          HD12      ILE   2 -14.033  10.921  -2.814
   22   HD13  ILE   2          HD13      ILE   2 -12.339  11.203  -3.221
   23    H    HIS   3           HN       HIS   3 -10.581   7.045   0.351
   24    HA   HIS   3           HA       HIS   3  -7.784   6.965  -0.135
   25    HB2  HIS   3           HB2      HIS   3  -7.712   6.159   2.286
   26    HB3  HIS   3           HB1      HIS   3  -8.481   7.720   2.003
   27    HD2  HIS   3           HD2      HIS   3 -11.433   7.539   1.953
   28    HE1  HIS   3           HE1      HIS   3 -11.473   3.976   4.218
   29    HE2  HIS   3           HE2      HIS   3 -12.899   5.890   3.350
   30    H    HIS   4           HN       HIS   4 -10.185   4.431   0.557
   31    HA   HIS   4           HA       HIS   4  -8.618   2.250   0.913
   32    HB2  HIS   4           HB2      HIS   4 -11.105   2.298   0.955
   33    HB3  HIS   4           HB1      HIS   4 -11.100   2.289  -0.809
   34    HD2  HIS   4           HD2      HIS   4 -10.770  -0.237  -1.947
   35    HE1  HIS   4           HE1      HIS   4  -9.889  -2.321   1.618
   36    HE2  HIS   4           HE2      HIS   4 -10.366  -2.578  -0.864
   37    H    ILE   5           HN       ILE   5  -9.702   3.337  -2.366
   38    HA   ILE   5           HA       ILE   5  -8.200   1.335  -3.700
   39    HB   ILE   5           HB       ILE   5 -10.084   2.356  -4.795
   40   HG12  ILE   5          HG12      ILE   5  -7.610   3.363  -6.222
   41   HG13  ILE   5          HG11      ILE   5  -8.043   1.655  -6.157
   42   HG21  ILE   5          HG21      ILE   5  -9.757   4.596  -3.630
   43   HG22  ILE   5          HG22      ILE   5 -10.224   4.684  -5.324
   44   HG23  ILE   5          HG23      ILE   5  -8.547   4.963  -4.856
   45   HD11  ILE   5          HD11      ILE   5  -8.860   2.966  -8.210
   46   HD12  ILE   5          HD12      ILE   5  -9.986   3.766  -7.113
   47   HD13  ILE   5          HD13      ILE   5 -10.073   2.020  -7.348
   48    H    PHE   6           HN       PHE   6  -7.497   4.793  -3.101
   49    HA   PHE   6           HA       PHE   6  -4.988   4.723  -4.469
   50    HB2  PHE   6           HB2      PHE   6  -6.424   6.650  -2.685
   51    HB3  PHE   6           HB1      PHE   6  -4.692   6.886  -2.906
   52    HD1  PHE   6           HD2      PHE   6  -3.880   6.632  -5.439
   53    HD2  PHE   6           HD1      PHE   6  -7.858   7.702  -4.222
   54    HE1  PHE   6           HE2      PHE   6  -4.273   7.684  -7.650
   55    HE2  PHE   6           HE1      PHE   6  -8.253   8.753  -6.432
   56    HZ   PHE   6           HZ       PHE   6  -6.459   8.744  -8.147
   57    H    ARG   7           HN       ARG   7  -5.835   4.680  -1.029
   58    HA   ARG   7           HA       ARG   7  -3.217   4.500  -0.023
   59    HB2  ARG   7           HB2      ARG   7  -5.207   5.071   1.354
   60    HB3  ARG   7           HB1      ARG   7  -5.733   3.390   1.239
   61    HG2  ARG   7           HG2      ARG   7  -3.650   2.645   2.318
   62    HG3  ARG   7           HG1      ARG   7  -3.094   4.317   2.411
   63    HD2  ARG   7           HD2      ARG   7  -5.134   4.849   3.777
   64    HD3  ARG   7           HD1      ARG   7  -5.518   3.130   3.788
   65    HE   ARG   7           HE       ARG   7  -2.847   3.604   4.697
   66   HH11  ARG   7          HH21      ARG   7  -6.189   3.765   5.579
   67   HH12  ARG   7          HH22      ARG   7  -5.895   3.551   7.272
   68   HH21  ARG   7          HH11      ARG   7  -2.452   3.322   6.914
   69   HH22  ARG   7          HH12      ARG   7  -3.779   3.301   8.027
   70    H    GLY   8           HN       GLY   8  -5.443   2.013  -1.162
   71    HA2  GLY   8           HA2      GLY   8  -4.122  -0.256  -0.138
   72    HA3  GLY   8           HA1      GLY   8  -5.155  -0.229  -1.563
   73    H    ILE   9           HN       ILE   9  -3.547   1.723  -2.982
   74    HA   ILE   9           HA       ILE   9  -1.752  -0.032  -4.318
   75    HB   ILE   9           HB       ILE   9  -2.010   2.985  -4.387
   76   HG12  ILE   9          HG12      ILE   9  -3.966   1.760  -5.238
   77   HG13  ILE   9          HG11      ILE   9  -3.121   2.562  -6.553
   78   HG21  ILE   9          HG21      ILE   9  -0.234   1.106  -5.939
   79   HG22  ILE   9          HG22      ILE   9   0.195   2.612  -5.128
   80   HG23  ILE   9          HG23      ILE   9  -0.742   2.652  -6.620
   81   HD11  ILE   9          HD11      ILE   9  -3.410   0.484  -7.513
   82   HD12  ILE   9          HD12      ILE   9  -3.393  -0.354  -5.964
   83   HD13  ILE   9          HD13      ILE   9  -1.881   0.174  -6.694
   84    H    VAL  10           HN       VAL  10  -1.247   2.586  -1.974
   85    HA   VAL  10           HA       VAL  10   1.583   2.446  -1.954
   86    HB   VAL  10           HB       VAL  10  -0.383   3.426   0.127
   87   HG11  VAL  10          HG11      VAL  10   2.634   3.450   0.032
   88   HG12  VAL  10          HG12      VAL  10   1.574   3.029   1.377
   89   HG13  VAL  10          HG13      VAL  10   1.751   4.714   0.888
   90   HG21  VAL  10          HG21      VAL  10   0.317   5.646  -0.736
   91   HG22  VAL  10          HG22      VAL  10  -0.408   4.658  -2.004
   92   HG23  VAL  10          HG23      VAL  10   1.344   4.847  -1.929
   93    H    HIS  11           HN       HIS  11  -0.892   0.953   0.110
   94    HA   HIS  11           HA       HIS  11   0.927  -0.372   1.844
   95    HB2  HIS  11           HB2      HIS  11  -1.444   0.032   2.414
   96    HB3  HIS  11           HB1      HIS  11  -1.929  -1.109   1.160
   97    HD2  HIS  11           HD2      HIS  11   0.188  -1.256   4.532
   98    HE1  HIS  11           HE1      HIS  11  -1.389  -5.086   3.714
   99    HE2  HIS  11           HE2      HIS  11  -0.064  -3.710   5.388
  100    H    ALA  12           HN       ALA  12  -0.874  -1.464  -1.025
  101    HA   ALA  12           HA       ALA  12   0.053  -4.131  -1.000
  102    HB1  ALA  12           HB1      ALA  12  -0.851  -2.437  -3.340
  103    HB2  ALA  12           HB2      ALA  12  -1.898  -3.409  -2.306
  104    HB3  ALA  12           HB3      ALA  12  -0.705  -4.194  -3.338
  105    H    GLY  13           HN       GLY  13   1.429  -1.158  -2.217
  106    HA2  GLY  13           HA2      GLY  13   3.515  -2.476  -3.756
  107    HA3  GLY  13           HA1      GLY  13   3.360  -0.746  -3.469
  108    H    ARG  14           HN       ARG  14   3.121  -0.956  -0.643
  109    HA   ARG  14           HA       ARG  14   5.755  -0.637   0.182
  110    HB2  ARG  14           HB2      ARG  14   3.647   0.052   1.439
  111    HB3  ARG  14           HB1      ARG  14   3.561  -1.612   2.014
  112    HG2  ARG  14           HG2      ARG  14   4.811  -0.689   3.742
  113    HG3  ARG  14           HG1      ARG  14   6.122  -1.158   2.662
  114    HD2  ARG  14           HD2      ARG  14   6.551   1.108   3.318
  115    HD3  ARG  14           HD1      ARG  14   5.978   1.171   1.655
  116    HE   ARG  14           HE       ARG  14   3.809   1.439   3.494
  117   HH11  ARG  14          HH21      ARG  14   6.507   3.088   2.090
  118   HH12  ARG  14          HH22      ARG  14   5.806   4.663   2.255
  119   HH21  ARG  14          HH11      ARG  14   2.884   3.500   3.715
  120   HH22  ARG  14          HH12      ARG  14   3.754   4.897   3.174
  121    H    SER  15           HN       SER  15   3.789  -3.567   0.139
  122    HA   SER  15           HA       SER  15   5.495  -5.219   1.668
  123    HB2  SER  15           HB2      SER  15   3.607  -5.922  -0.589
  124    HB3  SER  15           HB1      SER  15   4.355  -7.092   0.496
  125    HG   SER  15           HG       SER  15   2.928  -4.880   1.503
  126    H    ILE  16           HN       ILE  16   5.378  -4.503  -1.789
  127    HA   ILE  16           HA       ILE  16   7.428  -6.312  -2.575
  128    HB   ILE  16           HB       ILE  16   6.371  -3.791  -3.873
  129   HG12  ILE  16          HG12      ILE  16   5.393  -5.463  -5.455
  130   HG13  ILE  16          HG11      ILE  16   6.034  -6.756  -4.442
  131   HG21  ILE  16          HG21      ILE  16   8.586  -3.981  -4.725
  132   HG22  ILE  16          HG22      ILE  16   7.565  -4.765  -5.931
  133   HG23  ILE  16          HG23      ILE  16   8.492  -5.741  -4.792
  134   HD11  ILE  16          HD11      ILE  16   3.551  -5.948  -4.112
  135   HD12  ILE  16          HD12      ILE  16   4.299  -4.638  -3.202
  136   HD13  ILE  16          HD13      ILE  16   4.545  -6.313  -2.703
  137    H    GLY  17           HN       GLY  17   7.479  -2.868  -1.706
  138    HA2  GLY  17           HA2      GLY  17  10.229  -2.437  -2.179
  139    HA3  GLY  17           HA1      GLY  17   9.208  -1.463  -1.129
  140    H    ARG  18           HN       ARG  18   8.458  -3.446   0.725
  141    HA   ARG  18           HA       ARG  18  10.675  -3.384   2.493
  142    HB2  ARG  18           HB2      ARG  18   8.315  -3.466   3.250
  143    HB3  ARG  18           HB1      ARG  18   8.196  -5.117   2.644
  144    HG2  ARG  18           HG2      ARG  18  10.002  -5.818   4.174
  145    HG3  ARG  18           HG1      ARG  18  10.133  -4.164   4.775
  146    HD2  ARG  18           HD2      ARG  18   7.789  -4.266   5.546
  147    HD3  ARG  18           HD1      ARG  18   7.667  -5.921   4.955
  148    HE   ARG  18           HE       ARG  18   9.061  -5.028   7.352
  149   HH11  ARG  18          HH21      ARG  18   8.577  -7.492   4.971
  150   HH12  ARG  18          HH22      ARG  18   9.173  -8.772   5.976
  151   HH21  ARG  18          HH11      ARG  18   9.844  -6.700   8.674
  152   HH22  ARG  18          HH12      ARG  18   9.890  -8.323   8.071
  153    H    PHE  19           HN       PHE  19   9.248  -5.980   0.531
  154    HA   PHE  19           HA       PHE  19  10.996  -8.034   1.405
  155    HB2  PHE  19           HB2      PHE  19   9.139  -7.641  -0.922
  156    HB3  PHE  19           HB1      PHE  19  10.294  -8.971  -0.992
  157    HD1  PHE  19           HD2      PHE  19   8.235  -7.441   1.759
  158    HD2  PHE  19           HD1      PHE  19   9.282 -10.998  -0.411
  159    HE1  PHE  19           HE2      PHE  19   6.781  -8.781   3.255
  160    HE2  PHE  19           HE1      PHE  19   7.829 -12.337   1.085
  161    HZ   PHE  19           HZ       PHE  19   6.577 -11.229   2.918
  162    H    LEU  20           HN       LEU  20  11.213  -5.606  -1.142
  163    HA   LEU  20           HA       LEU  20  13.412  -6.669  -2.530
  164    HB2  LEU  20           HB2      LEU  20  12.043  -4.830  -3.418
  165    HB3  LEU  20           HB1      LEU  20  12.624  -3.767  -2.138
  166    HG   LEU  20           HG       LEU  20  14.934  -3.996  -2.986
  167   HD11  LEU  20          HD11      LEU  20  15.110  -6.106  -3.990
  168   HD12  LEU  20          HD12      LEU  20  15.039  -5.048  -5.397
  169   HD13  LEU  20          HD13      LEU  20  13.597  -5.922  -4.879
  170   HD21  LEU  20          HD21      LEU  20  12.816  -3.178  -4.989
  171   HD22  LEU  20          HD22      LEU  20  14.536  -2.860  -5.219
  172   HD23  LEU  20          HD23      LEU  20  13.680  -2.142  -3.855
  173    H    THR  21           HN       THR  21  13.233  -4.534   0.298
  174    HA   THR  21           HA       THR  21  15.983  -3.952   0.492
  175    HB   THR  21           HB       THR  21  13.889  -4.140   2.670
  176    HG1  THR  21           HG1      THR  21  14.657  -2.234   0.799
  177   HG21  THR  21          HG21      THR  21  15.553  -2.435   3.728
  178   HG22  THR  21          HG22      THR  21  16.734  -3.148   2.629
  179   HG23  THR  21          HG23      THR  21  15.927  -4.155   3.833
  180    H    GLY  22           HN       GLY  22  14.032  -6.532   1.985
  181    HA2  GLY  22           HA2      GLY  22  16.128  -8.431   1.911
  182    HA3  GLY  22           HA1      GLY  22  16.035  -7.726   3.522
  183    HN1  NH2  23           HT1      GLY  22  12.269  -8.970   2.895
  184    HN2  NH2  23           HT2      GLY  22  12.951  -7.497   2.286
  Start of MODEL    7
    1    H1   PHE   1           HT1      PHE   1 -13.936   5.015   2.435
    2    H2   PHE   1           HT2      PHE   1 -15.018   5.811   1.394
    3    H3   PHE   1           HT3      PHE   1 -13.348   5.865   1.090
    4    HA   PHE   1           HA       PHE   1 -13.936   3.188   1.203
    5    HB2  PHE   1           HB2      PHE   1 -16.317   3.717   1.035
    6    HB3  PHE   1           HB1      PHE   1 -16.015   4.750  -0.363
    7    HD1  PHE   1           HD2      PHE   1 -15.546   1.239   0.857
    8    HD2  PHE   1           HD1      PHE   1 -16.067   3.829  -2.531
    9    HE1  PHE   1           HE2      PHE   1 -15.722  -0.738  -0.628
   10    HE2  PHE   1           HE1      PHE   1 -16.242   1.851  -4.015
   11    HZ   PHE   1           HZ       PHE   1 -16.069  -0.433  -3.064
   12    H    ILE   2           HN       ILE   2 -14.049   5.998  -0.988
   13    HA   ILE   2           HA       ILE   2 -12.688   4.710  -3.126
   14    HB   ILE   2           HB       ILE   2 -12.436   7.000  -4.034
   15   HG12  ILE   2          HG12      ILE   2 -13.710   7.828  -1.404
   16   HG13  ILE   2          HG11      ILE   2 -12.039   8.152  -1.872
   17   HG21  ILE   2          HG21      ILE   2 -14.809   7.417  -4.303
   18   HG22  ILE   2          HG22      ILE   2 -15.176   6.518  -2.830
   19   HG23  ILE   2          HG23      ILE   2 -14.557   5.671  -4.249
   20   HD11  ILE   2          HD11      ILE   2 -13.010   9.300  -3.953
   21   HD12  ILE   2          HD12      ILE   2 -13.218  10.143  -2.417
   22   HD13  ILE   2          HD13      ILE   2 -14.563   9.242  -3.120
   23    H    HIS   3           HN       HIS   3 -11.634   6.604  -0.359
   24    HA   HIS   3           HA       HIS   3  -9.006   7.147  -1.115
   25    HB2  HIS   3           HB2      HIS   3 -10.173   6.559   1.615
   26    HB3  HIS   3           HB1      HIS   3  -8.519   7.124   1.362
   27    HD2  HIS   3           HD2      HIS   3 -11.991   8.649   1.770
   28    HE1  HIS   3           HE1      HIS   3  -9.672  11.601  -0.162
   29    HE2  HIS   3           HE2      HIS   3 -11.870  11.149   1.027
   30    H    HIS   4           HN       HIS   4 -10.364   4.219   0.397
   31    HA   HIS   4           HA       HIS   4  -8.096   2.825   0.957
   32    HB2  HIS   4           HB2      HIS   4 -10.514   2.144   1.340
   33    HB3  HIS   4           HB1      HIS   4 -10.511   1.542  -0.317
   34    HD2  HIS   4           HD2      HIS   4  -8.880  -0.772  -0.745
   35    HE1  HIS   4           HE1      HIS   4  -8.007  -1.409   3.337
   36    HE2  HIS   4           HE2      HIS   4  -7.859  -2.415   1.010
   37    H    ILE   5           HN       ILE   5  -9.605   3.123  -2.279
   38    HA   ILE   5           HA       ILE   5  -8.023   1.179  -3.554
   39    HB   ILE   5           HB       ILE   5  -9.140   3.738  -4.717
   40   HG12  ILE   5          HG12      ILE   5 -10.898   2.537  -3.543
   41   HG13  ILE   5          HG11      ILE   5 -11.124   2.338  -5.277
   42   HG21  ILE   5          HG21      ILE   5  -9.209   2.446  -6.815
   43   HG22  ILE   5          HG22      ILE   5  -8.460   1.074  -5.996
   44   HG23  ILE   5          HG23      ILE   5  -7.563   2.579  -6.198
   45   HD11  ILE   5          HD11      ILE   5  -9.707   0.143  -4.932
   46   HD12  ILE   5          HD12      ILE   5 -11.414   0.154  -4.499
   47   HD13  ILE   5          HD13      ILE   5 -10.188   0.328  -3.246
   48    H    PHE   6           HN       PHE   6  -7.558   4.700  -3.215
   49    HA   PHE   6           HA       PHE   6  -5.070   4.778  -4.599
   50    HB2  PHE   6           HB2      PHE   6  -6.383   6.799  -4.344
   51    HB3  PHE   6           HB1      PHE   6  -6.291   6.681  -2.587
   52    HD1  PHE   6           HD1      PHE   6  -4.296   7.229  -5.678
   53    HD2  PHE   6           HD2      PHE   6  -4.357   7.409  -1.387
   54    HE1  PHE   6           HE1      PHE   6  -2.149   8.469  -5.701
   55    HE2  PHE   6           HE2      PHE   6  -2.209   8.648  -1.409
   56    HZ   PHE   6           HZ       PHE   6  -1.105   9.179  -3.565
   57    H    ARG   7           HN       ARG   7  -5.944   4.668  -1.176
   58    HA   ARG   7           HA       ARG   7  -3.316   4.739  -0.129
   59    HB2  ARG   7           HB2      ARG   7  -5.879   3.631   1.029
   60    HB3  ARG   7           HB1      ARG   7  -4.381   3.826   1.937
   61    HG2  ARG   7           HG2      ARG   7  -4.395   6.240   1.486
   62    HG3  ARG   7           HG1      ARG   7  -5.869   6.064   0.536
   63    HD2  ARG   7           HD2      ARG   7  -5.617   5.316   3.462
   64    HD3  ARG   7           HD1      ARG   7  -6.310   6.826   2.874
   65    HE   ARG   7           HE       ARG   7  -7.679   4.792   1.568
   66   HH11  ARG   7          HH21      ARG   7  -7.081   5.843   4.809
   67   HH12  ARG   7          HH22      ARG   7  -8.580   5.237   5.429
   68   HH21  ARG   7          HH11      ARG   7  -9.644   3.990   2.375
   69   HH22  ARG   7          HH12      ARG   7 -10.031   4.187   4.051
   70    H    GLY   8           HN       GLY   8  -5.381   2.080  -1.201
   71    HA2  GLY   8           HA2      GLY   8  -3.899  -0.061  -0.113
   72    HA3  GLY   8           HA1      GLY   8  -4.967  -0.155  -1.510
   73    H    ILE   9           HN       ILE   9  -3.526   1.839  -3.043
   74    HA   ILE   9           HA       ILE   9  -1.657   0.151  -4.356
   75    HB   ILE   9           HB       ILE   9  -2.135   3.133  -4.564
   76   HG12  ILE   9          HG12      ILE   9  -2.806   0.886  -6.485
   77   HG13  ILE   9          HG11      ILE   9  -3.939   1.492  -5.278
   78   HG21  ILE   9          HG21      ILE   9  -0.881   2.713  -6.825
   79   HG22  ILE   9          HG22      ILE   9  -0.215   1.302  -6.004
   80   HG23  ILE   9          HG23      ILE   9   0.071   2.917  -5.356
   81   HD11  ILE   9          HD11      ILE   9  -3.785   3.747  -6.245
   82   HD12  ILE   9          HD12      ILE   9  -4.289   2.586  -7.472
   83   HD13  ILE   9          HD13      ILE   9  -2.623   3.167  -7.437
   84    H    VAL  10           HN       VAL  10  -1.276   2.883  -2.127
   85    HA   VAL  10           HA       VAL  10   1.557   2.944  -2.175
   86    HB   VAL  10           HB       VAL  10  -0.377   3.833  -0.021
   87   HG11  VAL  10          HG11      VAL  10   2.571   4.381  -0.461
   88   HG12  VAL  10          HG12      VAL  10   1.832   3.603   0.938
   89   HG13  VAL  10          HG13      VAL  10   1.554   5.318   0.635
   90   HG21  VAL  10          HG21      VAL  10   0.093   6.087  -1.047
   91   HG22  VAL  10          HG22      VAL  10  -0.788   4.990  -2.110
   92   HG23  VAL  10          HG23      VAL  10   0.938   5.257  -2.353
   93    H    HIS  11           HN       HIS  11  -0.766   1.335  -0.026
   94    HA   HIS  11           HA       HIS  11   1.135   0.242   1.760
   95    HB2  HIS  11           HB2      HIS  11  -1.665  -0.609   1.015
   96    HB3  HIS  11           HB1      HIS  11  -0.720  -1.412   2.268
   97    HD2  HIS  11           HD2      HIS  11  -3.319   1.189   2.293
   98    HE1  HIS  11           HE1      HIS  11  -0.606   2.529   5.238
   99    HE2  HIS  11           HE2      HIS  11  -2.950   2.813   4.304
  100    H    ALA  12           HN       ALA  12  -0.451  -1.132  -1.120
  101    HA   ALA  12           HA       ALA  12   0.757  -3.669  -1.022
  102    HB1  ALA  12           HB1      ALA  12  -1.149  -3.180  -2.481
  103    HB2  ALA  12           HB2      ALA  12   0.205  -3.797  -3.429
  104    HB3  ALA  12           HB3      ALA  12  -0.154  -2.070  -3.426
  105    H    GLY  13           HN       GLY  13   1.958  -0.572  -2.044
  106    HA2  GLY  13           HA2      GLY  13   4.174  -1.519  -3.601
  107    HA3  GLY  13           HA1      GLY  13   3.975   0.105  -2.950
  108    H    ARG  14           HN       ARG  14   3.640  -0.560  -0.290
  109    HA   ARG  14           HA       ARG  14   6.318  -0.646   0.619
  110    HB2  ARG  14           HB2      ARG  14   3.692  -0.912   2.087
  111    HB3  ARG  14           HB1      ARG  14   5.255  -0.894   2.906
  112    HG2  ARG  14           HG2      ARG  14   5.767   1.301   1.989
  113    HG3  ARG  14           HG1      ARG  14   4.284   1.282   1.034
  114    HD2  ARG  14           HD2      ARG  14   3.991   2.609   3.094
  115    HD3  ARG  14           HD1      ARG  14   2.940   1.195   3.091
  116    HE   ARG  14           HE       ARG  14   5.426   0.627   4.383
  117   HH11  ARG  14          HH21      ARG  14   2.395   2.258   4.733
  118   HH12  ARG  14          HH22      ARG  14   2.344   2.088   6.457
  119   HH21  ARG  14          HH11      ARG  14   5.362   0.391   6.642
  120   HH22  ARG  14          HH12      ARG  14   4.024   1.031   7.536
  121    H    SER  15           HN       SER  15   3.802  -3.151   0.499
  122    HA   SER  15           HA       SER  15   5.165  -5.110   2.014
  123    HB2  SER  15           HB2      SER  15   2.861  -5.476   1.609
  124    HB3  SER  15           HB1      SER  15   3.049  -5.249  -0.126
  125    HG   SER  15           HG       SER  15   3.818  -7.421   1.500
  126    H    ILE  16           HN       ILE  16   5.037  -4.526  -1.474
  127    HA   ILE  16           HA       ILE  16   6.832  -6.663  -2.130
  128    HB   ILE  16           HB       ILE  16   6.913  -5.622  -4.384
  129   HG12  ILE  16          HG12      ILE  16   5.171  -3.526  -3.061
  130   HG13  ILE  16          HG11      ILE  16   6.788  -3.265  -3.707
  131   HG21  ILE  16          HG21      ILE  16   4.595  -6.058  -4.911
  132   HG22  ILE  16          HG22      ILE  16   4.104  -5.725  -3.249
  133   HG23  ILE  16          HG23      ILE  16   5.066  -7.157  -3.615
  134   HD11  ILE  16          HD11      ILE  16   5.310  -2.508  -5.411
  135   HD12  ILE  16          HD12      ILE  16   4.267  -3.920  -5.234
  136   HD13  ILE  16          HD13      ILE  16   5.870  -4.091  -5.948
  137    H    GLY  17           HN       GLY  17   7.216  -3.174  -1.678
  138    HA2  GLY  17           HA2      GLY  17   9.942  -3.017  -2.426
  139    HA3  GLY  17           HA1      GLY  17   9.082  -1.857  -1.418
  140    H    ARG  18           HN       ARG  18   8.323  -3.773   0.601
  141    HA   ARG  18           HA       ARG  18  10.561  -3.576   2.321
  142    HB2  ARG  18           HB2      ARG  18   8.210  -3.744   3.117
  143    HB3  ARG  18           HB1      ARG  18   8.172  -5.423   2.581
  144    HG2  ARG  18           HG2      ARG  18  10.072  -5.934   4.102
  145    HG3  ARG  18           HG1      ARG  18  10.047  -4.263   4.665
  146    HD2  ARG  18           HD2      ARG  18   7.672  -6.132   4.831
  147    HD3  ARG  18           HD1      ARG  18   8.807  -5.875   6.152
  148    HE   ARG  18           HE       ARG  18   7.887  -3.358   5.330
  149   HH11  ARG  18          HH21      ARG  18   6.697  -6.305   6.698
  150   HH12  ARG  18          HH22      ARG  18   5.428  -5.539   7.595
  151   HH21  ARG  18          HH11      ARG  18   6.228  -2.345   6.508
  152   HH22  ARG  18          HH12      ARG  18   5.163  -3.297   7.488
  153    H    PHE  19           HN       PHE  19   9.220  -6.288   0.470
  154    HA   PHE  19           HA       PHE  19  11.011  -8.268   1.380
  155    HB2  PHE  19           HB2      PHE  19   8.836  -8.563   0.036
  156    HB3  PHE  19           HB1      PHE  19   9.815  -8.221  -1.390
  157    HD1  PHE  19           HD2      PHE  19  11.589  -9.766  -2.106
  158    HD2  PHE  19           HD1      PHE  19   9.170 -10.588   1.347
  159    HE1  PHE  19           HE2      PHE  19  12.406 -12.108  -2.092
  160    HE2  PHE  19           HE1      PHE  19   9.987 -12.929   1.362
  161    HZ   PHE  19           HZ       PHE  19  11.604 -13.688  -0.358
  162    H    LEU  20           HN       LEU  20  11.218  -5.884  -1.198
  163    HA   LEU  20           HA       LEU  20  13.441  -6.887  -2.572
  164    HB2  LEU  20           HB2      LEU  20  12.039  -5.024  -3.398
  165    HB3  LEU  20           HB1      LEU  20  12.674  -3.990  -2.121
  166    HG   LEU  20           HG       LEU  20  14.958  -4.269  -3.032
  167   HD11  LEU  20          HD11      LEU  20  13.511  -6.119  -4.911
  168   HD12  LEU  20          HD12      LEU  20  15.076  -6.322  -4.124
  169   HD13  LEU  20          HD13      LEU  20  14.920  -5.235  -5.500
  170   HD21  LEU  20          HD21      LEU  20  13.417  -2.428  -3.786
  171   HD22  LEU  20          HD22      LEU  20  12.993  -3.421  -5.181
  172   HD23  LEU  20          HD23      LEU  20  14.650  -2.853  -4.972
  173    H    THR  21           HN       THR  21  13.249  -4.813   0.307
  174    HA   THR  21           HA       THR  21  15.982  -4.184   0.514
  175    HB   THR  21           HB       THR  21  15.528  -3.609   2.803
  176    HG1  THR  21           HG1      THR  21  13.842  -5.697   2.588
  177   HG21  THR  21          HG21      THR  21  13.714  -2.112   2.523
  178   HG22  THR  21          HG22      THR  21  12.891  -3.193   1.400
  179   HG23  THR  21          HG23      THR  21  14.349  -2.341   0.892
  180    H    GLY  22           HN       GLY  22  14.120  -6.914   1.827
  181    HA2  GLY  22           HA2      GLY  22  14.835  -9.068   2.308
  182    HA3  GLY  22           HA1      GLY  22  16.451  -8.616   1.770
  183    HN1  NH2  23           HT1      GLY  22  16.197  -6.842   5.363
  184    HN2  NH2  23           HT2      GLY  22  15.530  -6.219   3.892
  Start of MODEL    8
    1    H1   PHE   1           HT1      PHE   1 -15.099   5.654   0.851
    2    H2   PHE   1           HT2      PHE   1 -13.516   5.384   1.404
    3    H3   PHE   1           HT3      PHE   1 -14.837   4.726   2.248
    4    HA   PHE   1           HA       PHE   1 -14.024   2.918   1.082
    5    HB2  PHE   1           HB2      PHE   1 -16.509   3.544   0.709
    6    HB3  PHE   1           HB1      PHE   1 -16.005   4.053  -0.900
    7    HD1  PHE   1           HD2      PHE   1 -15.495   1.158   1.441
    8    HD2  PHE   1           HD1      PHE   1 -16.141   2.453  -2.605
    9    HE1  PHE   1           HE2      PHE   1 -15.551  -1.207   0.692
   10    HE2  PHE   1           HE1      PHE   1 -16.197   0.089  -3.353
   11    HZ   PHE   1           HZ       PHE   1 -15.903  -1.740  -1.704
   12    H    ILE   2           HN       ILE   2 -14.158   5.808  -0.962
   13    HA   ILE   2           HA       ILE   2 -12.693   4.739  -3.141
   14    HB   ILE   2           HB       ILE   2 -12.874   7.638  -2.286
   15   HG12  ILE   2          HG12      ILE   2 -15.118   6.713  -2.415
   16   HG13  ILE   2          HG11      ILE   2 -14.834   7.711  -3.837
   17   HG21  ILE   2          HG21      ILE   2 -12.288   6.245  -4.909
   18   HG22  ILE   2          HG22      ILE   2 -11.224   7.322  -4.005
   19   HG23  ILE   2          HG23      ILE   2 -12.668   7.964  -4.788
   20   HD11  ILE   2          HD11      ILE   2 -15.817   5.792  -4.744
   21   HD12  ILE   2          HD12      ILE   2 -14.979   4.714  -3.631
   22   HD13  ILE   2          HD13      ILE   2 -14.099   5.464  -4.965
   23    H    HIS   3           HN       HIS   3 -11.706   6.539  -0.243
   24    HA   HIS   3           HA       HIS   3  -9.042   7.000  -0.866
   25    HB2  HIS   3           HB2      HIS   3 -10.327   6.308   1.782
   26    HB3  HIS   3           HB1      HIS   3  -8.657   6.861   1.627
   27    HD2  HIS   3           HD2      HIS   3  -8.374   9.611   0.947
   28    HE1  HIS   3           HE1      HIS   3 -12.493  10.527   1.079
   29    HE2  HIS   3           HE2      HIS   3 -10.161  11.516   0.903
   30    H    HIS   4           HN       HIS   4 -10.526   4.042   0.483
   31    HA   HIS   4           HA       HIS   4  -8.307   2.557   1.030
   32    HB2  HIS   4           HB2      HIS   4 -10.932   1.696  -0.173
   33    HB3  HIS   4           HB1      HIS   4  -9.719   0.560   0.410
   34    HD2  HIS   4           HD2      HIS   4 -11.690   3.640   2.025
   35    HE1  HIS   4           HE1      HIS   4 -10.983   0.714   4.985
   36    HE2  HIS   4           HE2      HIS   4 -12.067   2.963   4.519
   37    H    ILE   5           HN       ILE   5  -9.710   3.094  -2.215
   38    HA   ILE   5           HA       ILE   5  -8.185   1.161  -3.567
   39    HB   ILE   5           HB       ILE   5  -9.194   3.829  -4.581
   40   HG12  ILE   5          HG12      ILE   5 -10.538   1.108  -4.634
   41   HG13  ILE   5          HG11      ILE   5 -10.923   2.375  -3.471
   42   HG21  ILE   5          HG21      ILE   5  -8.458   1.250  -5.999
   43   HG22  ILE   5          HG22      ILE   5  -7.615   2.794  -6.126
   44   HG23  ILE   5          HG23      ILE   5  -9.248   2.625  -6.769
   45   HD11  ILE   5          HD11      ILE   5 -11.315   3.883  -5.541
   46   HD12  ILE   5          HD12      ILE   5 -12.533   2.664  -5.171
   47   HD13  ILE   5          HD13      ILE   5 -11.360   2.374  -6.455
   48    H    PHE   6           HN       PHE   6  -7.603   4.631  -3.014
   49    HA   PHE   6           HA       PHE   6  -5.063   4.666  -4.323
   50    HB2  PHE   6           HB2      PHE   6  -6.400   6.577  -2.402
   51    HB3  PHE   6           HB1      PHE   6  -4.825   6.886  -3.133
   52    HD1  PHE   6           HD1      PHE   6  -8.439   6.517  -3.771
   53    HD2  PHE   6           HD2      PHE   6  -4.599   7.327  -5.519
   54    HE1  PHE   6           HE1      PHE   6  -9.549   7.324  -5.837
   55    HE2  PHE   6           HE2      PHE   6  -5.709   8.134  -7.583
   56    HZ   PHE   6           HZ       PHE   6  -8.184   8.134  -7.743
   57    H    ARG   7           HN       ARG   7  -6.119   4.302  -0.990
   58    HA   ARG   7           HA       ARG   7  -3.576   4.457   0.238
   59    HB2  ARG   7           HB2      ARG   7  -5.724   4.674   1.467
   60    HB3  ARG   7           HB1      ARG   7  -6.014   2.956   1.201
   61    HG2  ARG   7           HG2      ARG   7  -3.965   2.387   2.421
   62    HG3  ARG   7           HG1      ARG   7  -3.610   4.099   2.648
   63    HD2  ARG   7           HD2      ARG   7  -6.122   2.740   3.661
   64    HD3  ARG   7           HD1      ARG   7  -4.684   3.016   4.642
   65    HE   ARG   7           HE       ARG   7  -6.659   4.975   3.925
   66   HH11  ARG   7          HH21      ARG   7  -3.307   4.422   4.586
   67   HH12  ARG   7          HH22      ARG   7  -3.003   6.038   5.128
   68   HH21  ARG   7          HH11      ARG   7  -6.267   7.101   4.635
   69   HH22  ARG   7          HH12      ARG   7  -4.680   7.554   5.155
   70    H    GLY   8           HN       GLY   8  -5.383   1.754  -1.153
   71    HA2  GLY   8           HA2      GLY   8  -3.694  -0.318  -0.171
   72    HA3  GLY   8           HA1      GLY   8  -4.815  -0.440  -1.523
   73    H    ILE   9           HN       ILE   9  -3.676   1.653  -3.115
   74    HA   ILE   9           HA       ILE   9  -1.721   0.176  -4.532
   75    HB   ILE   9           HB       ILE   9  -2.494   3.096  -4.662
   76   HG12  ILE   9          HG12      ILE   9  -3.061   0.823  -6.584
   77   HG13  ILE   9          HG11      ILE   9  -4.168   1.288  -5.290
   78   HG21  ILE   9          HG21      ILE   9  -1.354   2.908  -6.965
   79   HG22  ILE   9          HG22      ILE   9  -0.555   1.474  -6.320
   80   HG23  ILE   9          HG23      ILE   9  -0.299   3.046  -5.560
   81   HD11  ILE   9          HD11      ILE   9  -4.224   3.599  -6.216
   82   HD12  ILE   9          HD12      ILE   9  -4.823   2.405  -7.366
   83   HD13  ILE   9          HD13      ILE   9  -3.198   3.067  -7.544
   84    H    VAL  10           HN       VAL  10  -1.379   3.066  -2.462
   85    HA   VAL  10           HA       VAL  10   1.450   3.177  -2.673
   86    HB   VAL  10           HB       VAL  10   1.301   4.681  -0.685
   87   HG11  VAL  10          HG11      VAL  10  -0.642   5.081  -2.976
   88   HG12  VAL  10          HG12      VAL  10   1.015   5.675  -2.866
   89   HG13  VAL  10          HG13      VAL  10  -0.236   6.349  -1.820
   90   HG21  VAL  10          HG21      VAL  10  -1.615   3.885  -0.860
   91   HG22  VAL  10          HG22      VAL  10  -1.016   5.240   0.094
   92   HG23  VAL  10          HG23      VAL  10  -0.531   3.594   0.502
   93    H    HIS  11           HN       HIS  11  -0.725   1.656  -0.339
   94    HA   HIS  11           HA       HIS  11   1.287   0.852   1.501
   95    HB2  HIS  11           HB2      HIS  11  -1.098   0.940   2.096
   96    HB3  HIS  11           HB1      HIS  11  -1.428  -0.375   0.967
   97    HD2  HIS  11           HD2      HIS  11  -1.296  -2.839   2.194
   98    HE1  HIS  11           HE1      HIS  11   1.199  -1.778   5.429
   99    HE2  HIS  11           HE2      HIS  11  -0.134  -3.667   4.381
  100    H    ALA  12           HN       ALA  12  -0.316  -0.819  -1.187
  101    HA   ALA  12           HA       ALA  12   0.968  -3.306  -0.915
  102    HB1  ALA  12           HB1      ALA  12   0.096  -2.062  -3.525
  103    HB2  ALA  12           HB2      ALA  12  -1.034  -2.772  -2.371
  104    HB3  ALA  12           HB3      ALA  12   0.204  -3.776  -3.127
  105    H    GLY  13           HN       GLY  13   2.097  -0.279  -2.155
  106    HA2  GLY  13           HA2      GLY  13   4.256  -1.339  -3.746
  107    HA3  GLY  13           HA1      GLY  13   4.054   0.340  -3.252
  108    H    ARG  14           HN       ARG  14   3.930   0.044  -0.532
  109    HA   ARG  14           HA       ARG  14   6.625   0.093   0.235
  110    HB2  ARG  14           HB2      ARG  14   4.216  -0.426   2.001
  111    HB3  ARG  14           HB1      ARG  14   5.815   0.056   2.560
  112    HG2  ARG  14           HG2      ARG  14   4.270   1.710   0.563
  113    HG3  ARG  14           HG1      ARG  14   4.039   1.911   2.297
  114    HD2  ARG  14           HD2      ARG  14   6.567   2.252   2.457
  115    HD3  ARG  14           HD1      ARG  14   6.571   2.339   0.697
  116    HE   ARG  14           HE       ARG  14   4.680   4.129   1.958
  117   HH11  ARG  14          HH21      ARG  14   7.909   3.611   0.831
  118   HH12  ARG  14          HH22      ARG  14   8.265   5.295   0.647
  119   HH21  ARG  14          HH11      ARG  14   5.142   6.345   1.727
  120   HH22  ARG  14          HH12      ARG  14   6.699   6.844   1.155
  121    H    SER  15           HN       SER  15   4.309  -2.553   0.246
  122    HA   SER  15           HA       SER  15   5.825  -4.390   1.783
  123    HB2  SER  15           HB2      SER  15   4.420  -6.113   0.614
  124    HB3  SER  15           HB1      SER  15   3.491  -4.829   1.382
  125    HG   SER  15           HG       SER  15   2.811  -4.244  -0.516
  126    H    ILE  16           HN       ILE  16   5.851  -3.513  -1.617
  127    HA   ILE  16           HA       ILE  16   7.410  -5.665  -2.597
  128    HB   ILE  16           HB       ILE  16   7.425  -2.813  -3.614
  129   HG12  ILE  16          HG12      ILE  16   5.131  -3.557  -3.416
  130   HG13  ILE  16          HG11      ILE  16   5.585  -3.599  -5.114
  131   HG21  ILE  16          HG21      ILE  16   9.154  -4.169  -4.634
  132   HG22  ILE  16          HG22      ILE  16   7.842  -3.984  -5.797
  133   HG23  ILE  16          HG23      ILE  16   8.017  -5.491  -4.899
  134   HD11  ILE  16          HD11      ILE  16   6.195  -6.107  -4.616
  135   HD12  ILE  16          HD12      ILE  16   4.505  -5.652  -4.834
  136   HD13  ILE  16          HD13      ILE  16   5.151  -5.884  -3.211
  137    H    GLY  17           HN       GLY  17   8.362  -2.431  -1.453
  138    HA2  GLY  17           HA2      GLY  17  11.135  -2.722  -1.807
  139    HA3  GLY  17           HA1      GLY  17  10.367  -1.626  -0.663
  140    H    ARG  18           HN       ARG  18   9.064  -3.464   0.988
  141    HA   ARG  18           HA       ARG  18  11.176  -4.222   2.727
  142    HB2  ARG  18           HB2      ARG  18   8.814  -3.661   3.430
  143    HB3  ARG  18           HB1      ARG  18   8.323  -5.223   2.783
  144    HG2  ARG  18           HG2      ARG  18   8.675  -5.763   5.024
  145    HG3  ARG  18           HG1      ARG  18  10.245  -6.164   4.336
  146    HD2  ARG  18           HD2      ARG  18  11.134  -3.985   5.037
  147    HD3  ARG  18           HD1      ARG  18   9.550  -3.520   5.652
  148    HE   ARG  18           HE       ARG  18   9.933  -4.855   7.522
  149   HH11  ARG  18          HH21      ARG  18  12.231  -5.494   5.017
  150   HH12  ARG  18          HH22      ARG  18  13.260  -6.464   6.017
  151   HH21  ARG  18          HH11      ARG  18  11.279  -6.122   8.842
  152   HH22  ARG  18          HH12      ARG  18  12.720  -6.820   8.184
  153    H    PHE  19           HN       PHE  19   9.076  -6.060   0.535
  154    HA   PHE  19           HA       PHE  19  10.025  -8.635   1.178
  155    HB2  PHE  19           HB2      PHE  19   7.968  -8.107  -0.172
  156    HB3  PHE  19           HB1      PHE  19   9.031  -7.717  -1.527
  157    HD1  PHE  19           HD1      PHE  19  10.373  -9.459  -2.623
  158    HD2  PHE  19           HD2      PHE  19   7.708 -10.395   0.612
  159    HE1  PHE  19           HE1      PHE  19  10.540 -11.870  -3.183
  160    HE2  PHE  19           HE2      PHE  19   7.875 -12.805   0.053
  161    HZ   PHE  19           HZ       PHE  19   9.291 -13.543  -1.845
  162    H    LEU  20           HN       LEU  20  11.195  -6.161  -1.045
  163    HA   LEU  20           HA       LEU  20  13.036  -7.709  -2.480
  164    HB2  LEU  20           HB2      LEU  20  12.397  -5.393  -3.101
  165    HB3  LEU  20           HB1      LEU  20  13.283  -4.790  -1.704
  166    HG   LEU  20           HG       LEU  20  15.368  -5.802  -2.622
  167   HD11  LEU  20          HD11      LEU  20  14.755  -7.586  -4.002
  168   HD12  LEU  20          HD12      LEU  20  15.137  -6.347  -5.190
  169   HD13  LEU  20          HD13      LEU  20  13.455  -6.678  -4.778
  170   HD21  LEU  20          HD21      LEU  20  14.976  -3.478  -3.092
  171   HD22  LEU  20          HD22      LEU  20  13.833  -3.871  -4.377
  172   HD23  LEU  20          HD23      LEU  20  15.550  -4.217  -4.587
  173    H    THR  21           HN       THR  21  13.285  -6.119   0.663
  174    HA   THR  21           HA       THR  21  16.052  -6.412   1.053
  175    HB   THR  21           HB       THR  21  13.932  -6.564   3.201
  176    HG1  THR  21           HG1      THR  21  14.352  -4.659   1.443
  177   HG21  THR  21          HG21      THR  21  16.805  -5.596   3.183
  178   HG22  THR  21          HG22      THR  21  16.206  -7.066   3.952
  179   HG23  THR  21          HG23      THR  21  15.707  -5.488   4.559
  180    H    GLY  22           HN       GLY  22  13.351  -8.578   1.881
  181    HA2  GLY  22           HA2      GLY  22  15.038 -10.598   3.020
  182    HA3  GLY  22           HA1      GLY  22  13.337 -10.775   2.601
  183    HN1  NH2  23           HT1      GLY  22  15.149 -11.005  -0.975
  184    HN2  NH2  23           HT2      GLY  22  14.790  -9.537  -0.129
  Start of MODEL    9
    1    H1   PHE   1           HT1      PHE   1 -14.875   5.194   2.135
    2    H2   PHE   1           HT2      PHE   1 -15.072   5.949   0.626
    3    H3   PHE   1           HT3      PHE   1 -13.529   5.846   1.331
    4    HA   PHE   1           HA       PHE   1 -13.776   3.357   1.216
    5    HB2  PHE   1           HB2      PHE   1 -16.049   4.241  -0.586
    6    HB3  PHE   1           HB1      PHE   1 -15.385   2.607  -0.552
    7    HD1  PHE   1           HD2      PHE   1 -15.511   1.253   1.561
    8    HD2  PHE   1           HD1      PHE   1 -17.534   5.017   1.121
    9    HE1  PHE   1           HE2      PHE   1 -16.945   0.710   3.510
   10    HE2  PHE   1           HE1      PHE   1 -18.967   4.474   3.070
   11    HZ   PHE   1           HZ       PHE   1 -18.673   2.321   4.265
   12    H    ILE   2           HN       ILE   2 -14.038   6.075  -1.003
   13    HA   ILE   2           HA       ILE   2 -12.654   4.960  -3.192
   14    HB   ILE   2           HB       ILE   2 -13.981   7.062  -3.280
   15   HG12  ILE   2          HG12      ILE   2 -11.094   7.546  -4.055
   16   HG13  ILE   2          HG11      ILE   2 -12.147   6.446  -4.944
   17   HG21  ILE   2          HG21      ILE   2 -11.582   8.357  -1.970
   18   HG22  ILE   2          HG22      ILE   2 -13.021   7.893  -1.062
   19   HG23  ILE   2          HG23      ILE   2 -13.138   9.093  -2.348
   20   HD11  ILE   2          HD11      ILE   2 -12.004   8.861  -5.815
   21   HD12  ILE   2          HD12      ILE   2 -12.939   9.309  -4.387
   22   HD13  ILE   2          HD13      ILE   2 -13.621   8.200  -5.578
   23    H    HIS   3           HN       HIS   3 -11.529   6.695  -0.316
   24    HA   HIS   3           HA       HIS   3  -8.859   7.069  -1.030
   25    HB2  HIS   3           HB2      HIS   3 -10.051   6.461   1.691
   26    HB3  HIS   3           HB1      HIS   3  -8.404   7.037   1.430
   27    HD2  HIS   3           HD2      HIS   3 -11.610   8.640   2.326
   28    HE1  HIS   3           HE1      HIS   3  -9.783  11.471  -0.216
   29    HE2  HIS   3           HE2      HIS   3 -11.640  11.109   1.477
   30    H    HIS   4           HN       HIS   4 -10.425   4.206   0.429
   31    HA   HIS   4           HA       HIS   4  -8.278   2.638   0.976
   32    HB2  HIS   4           HB2      HIS   4 -10.668   2.023   1.326
   33    HB3  HIS   4           HB1      HIS   4 -10.794   1.694  -0.402
   34    HD2  HIS   4           HD2      HIS   4 -10.011  -0.870  -1.102
   35    HE1  HIS   4           HE1      HIS   4  -7.986  -1.853   2.470
   36    HE2  HIS   4           HE2      HIS   4  -8.763  -2.743   0.222
   37    H    ILE   5           HN       ILE   5  -9.695   3.145  -2.291
   38    HA   ILE   5           HA       ILE   5  -8.173   1.174  -3.616
   39    HB   ILE   5           HB       ILE   5  -9.333   3.802  -4.567
   40   HG12  ILE   5          HG12      ILE   5 -10.335   0.964  -4.940
   41   HG13  ILE   5          HG11      ILE   5 -10.883   2.021  -3.639
   42   HG21  ILE   5          HG21      ILE   5  -7.646   3.162  -6.162
   43   HG22  ILE   5          HG22      ILE   5  -9.193   2.653  -6.834
   44   HG23  ILE   5          HG23      ILE   5  -8.128   1.468  -6.079
   45   HD11  ILE   5          HD11      ILE   5 -11.697   3.658  -5.253
   46   HD12  ILE   5          HD12      ILE   5 -12.399   2.083  -5.621
   47   HD13  ILE   5          HD13      ILE   5 -11.058   2.700  -6.588
   48    H    PHE   6           HN       PHE   6  -7.569   4.654  -3.089
   49    HA   PHE   6           HA       PHE   6  -5.050   4.646  -4.439
   50    HB2  PHE   6           HB2      PHE   6  -6.353   6.589  -2.529
   51    HB3  PHE   6           HB1      PHE   6  -4.775   6.876  -3.264
   52    HD1  PHE   6           HD1      PHE   6  -4.550   7.198  -5.691
   53    HD2  PHE   6           HD2      PHE   6  -8.393   6.640  -3.855
   54    HE1  PHE   6           HE1      PHE   6  -5.655   8.007  -7.760
   55    HE2  PHE   6           HE2      PHE   6  -9.498   7.448  -5.924
   56    HZ   PHE   6           HZ       PHE   6  -8.129   8.130  -7.876
   57    H    ARG   7           HN       ARG   7  -6.050   4.411  -1.064
   58    HA   ARG   7           HA       ARG   7  -3.439   4.464   0.052
   59    HB2  ARG   7           HB2      ARG   7  -6.046   3.356   1.119
   60    HB3  ARG   7           HB1      ARG   7  -4.568   3.497   2.068
   61    HG2  ARG   7           HG2      ARG   7  -5.617   5.924   0.627
   62    HG3  ARG   7           HG1      ARG   7  -6.375   5.426   2.136
   63    HD2  ARG   7           HD2      ARG   7  -3.423   6.014   1.763
   64    HD3  ARG   7           HD1      ARG   7  -4.591   7.071   2.549
   65    HE   ARG   7           HE       ARG   7  -3.396   4.679   3.667
   66   HH11  ARG   7          HH21      ARG   7  -6.019   6.934   3.730
   67   HH12  ARG   7          HH22      ARG   7  -6.441   6.609   5.379
   68   HH21  ARG   7          HH11      ARG   7  -3.942   4.246   5.829
   69   HH22  ARG   7          HH12      ARG   7  -5.265   5.087   6.566
   70    H    GLY   8           HN       GLY   8  -5.503   1.855  -1.139
   71    HA2  GLY   8           HA2      GLY   8  -4.024  -0.326  -0.085
   72    HA3  GLY   8           HA1      GLY   8  -5.110  -0.379  -1.472
   73    H    ILE   9           HN       ILE   9  -3.750   1.579  -3.032
   74    HA   ILE   9           HA       ILE   9  -1.849  -0.074  -4.357
   75    HB   ILE   9           HB       ILE   9  -2.454   2.881  -4.622
   76   HG12  ILE   9          HG12      ILE   9  -3.078   0.578  -6.490
   77   HG13  ILE   9          HG11      ILE   9  -4.198   1.122  -5.242
   78   HG21  ILE   9          HG21      ILE   9  -0.584   1.070  -6.166
   79   HG22  ILE   9          HG22      ILE   9  -0.226   2.635  -5.435
   80   HG23  ILE   9          HG23      ILE   9  -1.251   2.547  -6.866
   81   HD11  ILE   9          HD11      ILE   9  -4.385   3.293  -6.228
   82   HD12  ILE   9          HD12      ILE   9  -4.546   2.143  -7.553
   83   HD13  ILE   9          HD13      ILE   9  -3.023   2.995  -7.304
   84    H    VAL  10           HN       VAL  10  -1.516   2.754  -2.238
   85    HA   VAL  10           HA       VAL  10   1.321   2.860  -2.351
   86    HB   VAL  10           HB       VAL  10  -0.596   3.895  -0.248
   87   HG11  VAL  10          HG11      VAL  10   1.626   3.746   0.708
   88   HG12  VAL  10          HG12      VAL  10   1.331   5.431   0.286
   89   HG13  VAL  10          HG13      VAL  10   2.346   4.429  -0.750
   90   HG21  VAL  10          HG21      VAL  10   0.795   5.316  -2.539
   91   HG22  VAL  10          HG22      VAL  10  -0.384   6.011  -1.427
   92   HG23  VAL  10          HG23      VAL  10  -0.883   4.776  -2.582
   93    H    HIS  11           HN       HIS  11  -0.950   1.393  -0.054
   94    HA   HIS  11           HA       HIS  11   1.004   0.451   1.770
   95    HB2  HIS  11           HB2      HIS  11  -1.417   0.649   2.297
   96    HB3  HIS  11           HB1      HIS  11  -1.738  -0.699   1.205
   97    HD2  HIS  11           HD2      HIS  11  -1.160  -3.237   2.270
   98    HE1  HIS  11           HE1      HIS  11   0.407  -1.892   5.952
   99    HE2  HIS  11           HE2      HIS  11  -0.313  -3.942   4.637
  100    H    ALA  12           HN       ALA  12  -0.683  -1.140  -0.932
  101    HA   ALA  12           HA       ALA  12   0.575  -3.659  -0.651
  102    HB1  ALA  12           HB1      ALA  12  -1.503  -3.198  -1.987
  103    HB2  ALA  12           HB2      ALA  12  -0.287  -4.146  -2.844
  104    HB3  ALA  12           HB3      ALA  12  -0.481  -2.431  -3.204
  105    H    GLY  13           HN       GLY  13   1.587  -0.666  -2.098
  106    HA2  GLY  13           HA2      GLY  13   3.685  -1.787  -3.729
  107    HA3  GLY  13           HA1      GLY  13   3.461  -0.083  -3.346
  108    H    ARG  14           HN       ARG  14   3.633   0.076  -0.715
  109    HA   ARG  14           HA       ARG  14   6.328   0.106  -0.110
  110    HB2  ARG  14           HB2      ARG  14   4.578   1.278   1.218
  111    HB3  ARG  14           HB1      ARG  14   4.091  -0.275   1.898
  112    HG2  ARG  14           HG2      ARG  14   6.365  -0.585   2.820
  113    HG3  ARG  14           HG1      ARG  14   6.848   0.971   2.144
  114    HD2  ARG  14           HD2      ARG  14   4.596   0.594   4.136
  115    HD3  ARG  14           HD1      ARG  14   6.228   1.098   4.562
  116    HE   ARG  14           HE       ARG  14   5.259   2.823   2.557
  117   HH11  ARG  14          HH21      ARG  14   4.705   1.935   5.855
  118   HH12  ARG  14          HH22      ARG  14   4.101   3.491   6.317
  119   HH21  ARG  14          HH11      ARG  14   4.468   4.866   3.155
  120   HH22  ARG  14          HH12      ARG  14   3.967   5.151   4.789
  121    H    SER  15           HN       SER  15   4.025  -2.513   0.254
  122    HA   SER  15           HA       SER  15   5.589  -4.229   1.867
  123    HB2  SER  15           HB2      SER  15   3.209  -4.621   1.528
  124    HB3  SER  15           HB1      SER  15   3.473  -4.894  -0.192
  125    HG   SER  15           HG       SER  15   4.494  -6.762   0.256
  126    H    ILE  16           HN       ILE  16   5.432  -3.711  -1.594
  127    HA   ILE  16           HA       ILE  16   7.008  -5.923  -2.410
  128    HB   ILE  16           HB       ILE  16   6.846  -3.233  -3.791
  129   HG12  ILE  16          HG12      ILE  16   4.593  -3.990  -3.344
  130   HG13  ILE  16          HG11      ILE  16   4.940  -4.282  -5.041
  131   HG21  ILE  16          HG21      ILE  16   7.236  -4.594  -5.814
  132   HG22  ILE  16          HG22      ILE  16   7.326  -6.046  -4.819
  133   HG23  ILE  16          HG23      ILE  16   8.558  -4.794  -4.663
  134   HD11  ILE  16          HD11      ILE  16   4.732  -6.266  -2.789
  135   HD12  ILE  16          HD12      ILE  16   5.660  -6.664  -4.234
  136   HD13  ILE  16          HD13      ILE  16   3.941  -6.294  -4.362
  137    H    GLY  17           HN       GLY  17   7.883  -2.581  -1.583
  138    HA2  GLY  17           HA2      GLY  17  10.639  -2.781  -2.157
  139    HA3  GLY  17           HA1      GLY  17   9.907  -1.624  -1.049
  140    H    ARG  18           HN       ARG  18   8.762  -3.620   0.716
  141    HA   ARG  18           HA       ARG  18  10.902  -3.963   2.523
  142    HB2  ARG  18           HB2      ARG  18   8.169  -5.229   2.374
  143    HB3  ARG  18           HB1      ARG  18   9.289  -5.533   3.703
  144    HG2  ARG  18           HG2      ARG  18   9.389  -3.101   4.161
  145    HG3  ARG  18           HG1      ARG  18   8.248  -2.814   2.848
  146    HD2  ARG  18           HD2      ARG  18   6.567  -4.206   4.004
  147    HD3  ARG  18           HD1      ARG  18   7.707  -4.491   5.314
  148    HE   ARG  18           HE       ARG  18   7.290  -1.691   4.853
  149   HH11  ARG  18          HH21      ARG  18   5.975  -4.558   6.276
  150   HH12  ARG  18          HH22      ARG  18   5.070  -3.710   7.484
  151   HH21  ARG  18          HH11      ARG  18   6.105  -0.571   6.435
  152   HH22  ARG  18          HH12      ARG  18   5.144  -1.452   7.574
  153    H    PHE  19           HN       PHE  19   9.323  -6.258   0.308
  154    HA   PHE  19           HA       PHE  19  10.818  -8.535   1.074
  155    HB2  PHE  19           HB2      PHE  19   9.355  -7.810  -1.466
  156    HB3  PHE  19           HB1      PHE  19  10.161  -9.364  -1.249
  157    HD1  PHE  19           HD2      PHE  19   9.621 -10.580   1.051
  158    HD2  PHE  19           HD1      PHE  19   7.106  -7.643  -0.816
  159    HE1  PHE  19           HE2      PHE  19   7.675 -11.436   2.327
  160    HE2  PHE  19           HE1      PHE  19   5.159  -8.498   0.459
  161    HZ   PHE  19           HZ       PHE  19   5.443 -10.395   2.031
  162    H    LEU  20           HN       LEU  20  11.419  -5.940  -1.233
  163    HA   LEU  20           HA       LEU  20  13.574  -7.085  -2.612
  164    HB2  LEU  20           HB2      LEU  20  12.463  -5.004  -3.337
  165    HB3  LEU  20           HB1      LEU  20  13.121  -4.165  -1.934
  166    HG   LEU  20           HG       LEU  20  15.425  -4.672  -2.744
  167   HD11  LEU  20          HD11      LEU  20  15.290  -6.602  -4.061
  168   HD12  LEU  20          HD12      LEU  20  15.445  -5.345  -5.282
  169   HD13  LEU  20          HD13      LEU  20  13.861  -6.036  -4.928
  170   HD21  LEU  20          HD21      LEU  20  13.527  -3.203  -4.590
  171   HD22  LEU  20          HD22      LEU  20  15.277  -3.179  -4.802
  172   HD23  LEU  20          HD23      LEU  20  14.561  -2.523  -3.332
  173    H    THR  21           HN       THR  21  13.440  -5.345   0.467
  174    HA   THR  21           HA       THR  21  16.116  -4.863   0.933
  175    HB   THR  21           HB       THR  21  14.107  -5.855   2.968
  176    HG1  THR  21           HG1      THR  21  13.980  -3.474   3.256
  177   HG21  THR  21          HG21      THR  21  16.189  -5.865   4.050
  178   HG22  THR  21          HG22      THR  21  15.566  -4.255   4.409
  179   HG23  THR  21          HG23      THR  21  16.776  -4.469   3.145
  180    H    GLY  22           HN       GLY  22  17.565  -6.061   2.486
  181    HA2  GLY  22           HA2      GLY  22  17.590  -8.619   3.272
  182    HA3  GLY  22           HA1      GLY  22  17.876  -8.802   1.544
  183    HN1  NH2  23           HT1      GLY  22  20.776  -6.256   2.650
  184    HN2  NH2  23           HT2      GLY  22  19.130  -5.818   2.336
  Start of MODEL   10
    1    H1   PHE   1           HT1      PHE   1 -15.052   5.940   1.269
    2    H2   PHE   1           HT2      PHE   1 -13.361   5.886   1.114
    3    H3   PHE   1           HT3      PHE   1 -14.131   5.023   2.359
    4    HA   PHE   1           HA       PHE   1 -14.080   3.262   1.029
    5    HB2  PHE   1           HB2      PHE   1 -16.051   4.989  -0.494
    6    HB3  PHE   1           HB1      PHE   1 -15.826   3.261  -0.774
    7    HD1  PHE   1           HD2      PHE   1 -16.238   1.637   1.121
    8    HD2  PHE   1           HD1      PHE   1 -17.344   5.781   1.345
    9    HE1  PHE   1           HE2      PHE   1 -17.760   1.128   3.012
   10    HE2  PHE   1           HE1      PHE   1 -18.866   5.273   3.235
   11    HZ   PHE   1           HZ       PHE   1 -19.075   2.947   4.069
   12    H    ILE   2           HN       ILE   2 -13.991   6.184  -1.010
   13    HA   ILE   2           HA       ILE   2 -12.641   4.969  -3.183
   14    HB   ILE   2           HB       ILE   2 -13.918   7.132  -3.285
   15   HG12  ILE   2          HG12      ILE   2 -12.259   8.256  -4.801
   16   HG13  ILE   2          HG11      ILE   2 -11.028   7.141  -4.220
   17   HG21  ILE   2          HG21      ILE   2 -12.869   8.002  -1.143
   18   HG22  ILE   2          HG22      ILE   2 -12.924   9.156  -2.477
   19   HG23  ILE   2          HG23      ILE   2 -11.413   8.334  -2.083
   20   HD11  ILE   2          HD11      ILE   2 -11.882   5.362  -5.391
   21   HD12  ILE   2          HD12      ILE   2 -12.500   6.647  -6.427
   22   HD13  ILE   2          HD13      ILE   2 -13.553   5.904  -5.226
   23    H    HIS   3           HN       HIS   3 -11.538   6.566  -0.249
   24    HA   HIS   3           HA       HIS   3  -8.839   6.925  -0.924
   25    HB2  HIS   3           HB2      HIS   3 -10.146   6.377   1.753
   26    HB3  HIS   3           HB1      HIS   3  -8.456   6.841   1.560
   27    HD2  HIS   3           HD2      HIS   3 -11.956   8.502   1.583
   28    HE1  HIS   3           HE1      HIS   3  -9.187  11.472   0.427
   29    HE2  HIS   3           HE2      HIS   3 -11.590  11.048   1.130
   30    H    HIS   4           HN       HIS   4 -10.486   4.109   0.551
   31    HA   HIS   4           HA       HIS   4  -8.379   2.497   1.112
   32    HB2  HIS   4           HB2      HIS   4 -11.028   1.767  -0.139
   33    HB3  HIS   4           HB1      HIS   4  -9.903   0.582   0.526
   34    HD2  HIS   4           HD2      HIS   4  -9.716   0.581   3.369
   35    HE1  HIS   4           HE1      HIS   4 -12.784   3.411   4.005
   36    HE2  HIS   4           HE2      HIS   4 -11.255   1.731   5.139
   37    H    ILE   5           HN       ILE   5  -9.788   3.010  -2.144
   38    HA   ILE   5           HA       ILE   5  -8.276   1.018  -3.460
   39    HB   ILE   5           HB       ILE   5  -9.569   3.582  -4.409
   40   HG12  ILE   5          HG12      ILE   5 -11.174   1.920  -5.424
   41   HG13  ILE   5          HG11      ILE   5 -10.312   0.641  -4.573
   42   HG21  ILE   5          HG21      ILE   5  -7.863   3.170  -6.012
   43   HG22  ILE   5          HG22      ILE   5  -9.322   2.465  -6.704
   44   HG23  ILE   5          HG23      ILE   5  -8.113   1.426  -5.950
   45   HD11  ILE   5          HD11      ILE   5 -11.057   1.345  -2.480
   46   HD12  ILE   5          HD12      ILE   5 -12.451   1.740  -3.483
   47   HD13  ILE   5          HD13      ILE   5 -11.323   3.007  -3.009
   48    H    PHE   6           HN       PHE   6  -7.706   4.511  -3.015
   49    HA   PHE   6           HA       PHE   6  -5.207   4.512  -4.400
   50    HB2  PHE   6           HB2      PHE   6  -6.572   6.466  -2.551
   51    HB3  PHE   6           HB1      PHE   6  -4.957   6.767  -3.191
   52    HD1  PHE   6           HD2      PHE   6  -8.332   5.636  -4.404
   53    HD2  PHE   6           HD1      PHE   6  -4.797   7.944  -5.203
   54    HE1  PHE   6           HE2      PHE   6  -9.324   6.420  -6.537
   55    HE2  PHE   6           HE1      PHE   6  -5.791   8.726  -7.335
   56    HZ   PHE   6           HZ       PHE   6  -8.056   7.965  -8.003
   57    H    ARG   7           HN       ARG   7  -6.151   4.209  -1.026
   58    HA   ARG   7           HA       ARG   7  -3.576   4.435   0.115
   59    HB2  ARG   7           HB2      ARG   7  -5.686   4.616   1.415
   60    HB3  ARG   7           HB1      ARG   7  -5.952   2.889   1.176
   61    HG2  ARG   7           HG2      ARG   7  -3.837   2.385   2.331
   62    HG3  ARG   7           HG1      ARG   7  -3.535   4.110   2.544
   63    HD2  ARG   7           HD2      ARG   7  -5.683   4.265   3.825
   64    HD3  ARG   7           HD1      ARG   7  -5.832   2.514   3.710
   65    HE   ARG   7           HE       ARG   7  -3.986   3.992   5.405
   66   HH11  ARG   7          HH21      ARG   7  -4.807   1.006   3.861
   67   HH12  ARG   7          HH22      ARG   7  -3.899   0.027   4.964
   68   HH21  ARG   7          HH11      ARG   7  -2.793   2.715   6.856
   69   HH22  ARG   7          HH12      ARG   7  -2.759   0.994   6.659
   70    H    GLY   8           HN       GLY   8  -5.357   1.697  -1.227
   71    HA2  GLY   8           HA2      GLY   8  -3.748  -0.396  -0.243
   72    HA3  GLY   8           HA1      GLY   8  -4.730  -0.452  -1.704
   73    H    ILE   9           HN       ILE   9  -3.392   1.759  -3.002
   74    HA   ILE   9           HA       ILE   9  -1.323   0.340  -4.333
   75    HB   ILE   9           HB       ILE   9  -1.785   3.330  -4.337
   76   HG12  ILE   9          HG12      ILE   9  -3.884   2.199  -4.848
   77   HG13  ILE   9          HG11      ILE   9  -3.211   2.852  -6.339
   78   HG21  ILE   9          HG21      ILE   9  -0.798   3.162  -6.604
   79   HG22  ILE   9          HG22      ILE   9  -0.544   1.435  -6.353
   80   HG23  ILE   9          HG23      ILE   9   0.333   2.605  -5.367
   81   HD11  ILE   9          HD11      ILE   9  -3.363  -0.012  -5.424
   82   HD12  ILE   9          HD12      ILE   9  -2.117   0.470  -6.572
   83   HD13  ILE   9          HD13      ILE   9  -3.817   0.679  -6.980
   84    H    VAL  10           HN       VAL  10  -1.256   2.966  -1.936
   85    HA   VAL  10           HA       VAL  10   1.567   3.218  -1.850
   86    HB   VAL  10           HB       VAL  10  -0.560   3.895   0.193
   87   HG11  VAL  10          HG11      VAL  10   1.486   3.697   1.413
   88   HG12  VAL  10          HG12      VAL  10   1.297   5.418   1.076
   89   HG13  VAL  10          HG13      VAL  10   2.414   4.447   0.118
   90   HG21  VAL  10          HG21      VAL  10   0.939   5.481  -1.912
   91   HG22  VAL  10          HG22      VAL  10  -0.018   6.228  -0.634
   92   HG23  VAL  10          HG23      VAL  10  -0.799   5.192  -1.829
   93    H    HIS  11           HN       HIS  11  -0.724   1.395   0.160
   94    HA   HIS  11           HA       HIS  11   1.238   0.306   1.908
   95    HB2  HIS  11           HB2      HIS  11  -1.196   0.420   2.428
   96    HB3  HIS  11           HB1      HIS  11  -1.481  -0.828   1.215
   97    HD2  HIS  11           HD2      HIS  11  -0.741  -3.443   2.006
   98    HE1  HIS  11           HE1      HIS  11   0.575  -2.408   5.880
   99    HE2  HIS  11           HE2      HIS  11   0.046  -4.345   4.327
  100    H    ALA  12           HN       ALA  12  -0.364  -0.955  -1.002
  101    HA   ALA  12           HA       ALA  12   0.838  -3.506  -0.988
  102    HB1  ALA  12           HB1      ALA  12   0.188  -3.609  -3.348
  103    HB2  ALA  12           HB2      ALA  12  -0.098  -1.869  -3.357
  104    HB3  ALA  12           HB3      ALA  12  -1.117  -2.925  -2.379
  105    H    GLY  13           HN       GLY  13   1.976  -0.378  -2.045
  106    HA2  GLY  13           HA2      GLY  13   4.180  -1.362  -3.617
  107    HA3  GLY  13           HA1      GLY  13   3.942   0.297  -3.077
  108    H    ARG  14           HN       ARG  14   3.828  -0.000  -0.381
  109    HA   ARG  14           HA       ARG  14   6.545  -0.102   0.371
  110    HB2  ARG  14           HB2      ARG  14   4.030  -0.219   2.039
  111    HB3  ARG  14           HB1      ARG  14   5.647  -0.132   2.737
  112    HG2  ARG  14           HG2      ARG  14   6.069   1.963   1.488
  113    HG3  ARG  14           HG1      ARG  14   4.441   1.882   0.820
  114    HD2  ARG  14           HD2      ARG  14   5.020   1.947   3.788
  115    HD3  ARG  14           HD1      ARG  14   4.667   3.385   2.836
  116    HE   ARG  14           HE       ARG  14   2.558   1.783   2.265
  117   HH11  ARG  14          HH21      ARG  14   4.121   2.724   5.207
  118   HH12  ARG  14          HH22      ARG  14   2.680   2.634   6.164
  119   HH21  ARG  14          HH11      ARG  14   0.664   1.662   3.514
  120   HH22  ARG  14          HH12      ARG  14   0.723   2.031   5.206
  121    H    SER  15           HN       SER  15   3.979  -2.523   0.549
  122    HA   SER  15           HA       SER  15   5.387  -4.431   2.107
  123    HB2  SER  15           HB2      SER  15   3.732  -6.040   1.216
  124    HB3  SER  15           HB1      SER  15   2.969  -4.559   1.790
  125    HG   SER  15           HG       SER  15   2.396  -4.103  -0.190
  126    H    ILE  16           HN       ILE  16   5.102  -3.929  -1.378
  127    HA   ILE  16           HA       ILE  16   6.582  -6.218  -2.180
  128    HB   ILE  16           HB       ILE  16   6.070  -3.582  -3.574
  129   HG12  ILE  16          HG12      ILE  16   4.948  -6.337  -4.153
  130   HG13  ILE  16          HG11      ILE  16   4.164  -5.218  -3.042
  131   HG21  ILE  16          HG21      ILE  16   8.045  -4.429  -4.598
  132   HG22  ILE  16          HG22      ILE  16   6.726  -4.966  -5.640
  133   HG23  ILE  16          HG23      ILE  16   7.471  -6.095  -4.508
  134   HD11  ILE  16          HD11      ILE  16   4.738  -4.764  -5.984
  135   HD12  ILE  16          HD12      ILE  16   4.150  -3.507  -4.897
  136   HD13  ILE  16          HD13      ILE  16   3.155  -4.925  -5.224
  137    H    GLY  17           HN       GLY  17   7.534  -2.855  -1.584
  138    HA2  GLY  17           HA2      GLY  17  10.251  -3.129  -2.312
  139    HA3  GLY  17           HA1      GLY  17   9.592  -1.877  -1.262
  140    H    ARG  18           HN       ARG  18   8.512  -3.741   0.676
  141    HA   ARG  18           HA       ARG  18  10.653  -3.905   2.472
  142    HB2  ARG  18           HB2      ARG  18   8.256  -3.984   3.126
  143    HB3  ARG  18           HB1      ARG  18   8.155  -5.614   2.460
  144    HG2  ARG  18           HG2      ARG  18   9.898  -6.373   4.036
  145    HG3  ARG  18           HG1      ARG  18  10.004  -4.743   4.702
  146    HD2  ARG  18           HD2      ARG  18   7.572  -4.893   5.290
  147    HD3  ARG  18           HD1      ARG  18   7.592  -6.575   4.761
  148    HE   ARG  18           HE       ARG  18   8.759  -5.507   7.203
  149   HH11  ARG  18          HH21      ARG  18   8.638  -8.071   4.882
  150   HH12  ARG  18          HH22      ARG  18   9.261  -9.268   5.966
  151   HH21  ARG  18          HH11      ARG  18   9.577  -7.072   8.632
  152   HH22  ARG  18          HH12      ARG  18   9.792  -8.703   8.089
  153    H    PHE  19           HN       PHE  19   9.238  -6.435   0.394
  154    HA   PHE  19           HA       PHE  19  10.944  -8.530   1.242
  155    HB2  PHE  19           HB2      PHE  19   9.385  -8.101  -1.310
  156    HB3  PHE  19           HB1      PHE  19  10.285  -9.578  -0.969
  157    HD1  PHE  19           HD1      PHE  19   9.793 -10.759   1.298
  158    HD2  PHE  19           HD2      PHE  19   7.186  -7.865  -0.508
  159    HE1  PHE  19           HE1      PHE  19   7.906 -11.601   2.671
  160    HE2  PHE  19           HE2      PHE  19   5.299  -8.704   0.866
  161    HZ   PHE  19           HZ       PHE  19   5.660 -10.574   2.455
  162    H    LEU  20           HN       LEU  20  11.254  -6.043  -1.232
  163    HA   LEU  20           HA       LEU  20  13.442  -7.081  -2.639
  164    HB2  LEU  20           HB2      LEU  20  12.044  -5.062  -3.273
  165    HB3  LEU  20           HB1      LEU  20  12.954  -4.151  -2.071
  166    HG   LEU  20           HG       LEU  20  15.063  -5.103  -3.353
  167   HD11  LEU  20          HD11      LEU  20  12.877  -5.266  -5.452
  168   HD12  LEU  20          HD12      LEU  20  13.836  -6.613  -4.842
  169   HD13  LEU  20          HD13      LEU  20  14.606  -5.343  -5.789
  170   HD21  LEU  20          HD21      LEU  20  14.965  -3.139  -4.899
  171   HD22  LEU  20          HD22      LEU  20  14.532  -2.724  -3.241
  172   HD23  LEU  20          HD23      LEU  20  13.271  -2.914  -4.460
  173    H    THR  21           HN       THR  21  13.313  -5.131   0.320
  174    HA   THR  21           HA       THR  21  15.981  -4.475   0.637
  175    HB   THR  21           HB       THR  21  15.544  -4.350   3.013
  176    HG1  THR  21           HG1      THR  21  13.162  -5.268   3.333
  177   HG21  THR  21          HG21      THR  21  13.707  -2.871   2.980
  178   HG22  THR  21          HG22      THR  21  12.882  -3.789   1.722
  179   HG23  THR  21          HG23      THR  21  14.304  -2.827   1.320
  180    H    GLY  22           HN       GLY  22  14.396  -7.408   1.960
  181    HA2  GLY  22           HA2      GLY  22  15.304  -9.400   2.674
  182    HA3  GLY  22           HA1      GLY  22  16.195  -9.314   1.159
  183    HN1  NH2  23           HT1      GLY  22  18.481  -7.141   3.644
  184    HN2  NH2  23           HT2      GLY  22  17.055  -6.570   2.843