*HEADER    ANTIMICROBIAL PROTEIN                   27-AUG-13   2MCV              
*TITLE     SOLID-STATE NMR STRUCTURE OF PISCIDIN 1 IN ALIGNED 1:1                
*TITLE    2 PHOSPHATIDYLETHANOLAMINE/PHOSPHOGLYCEROL LIPID BILAYERS              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MORONECIDIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PISCIDIN-1;                                                 
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: MORONE SAXATILIS;                               
*SOURCE   4 ORGANISM_COMMON: STRIPED BASS;                                       
*SOURCE   5 ORGANISM_TAXID: 34816;                                               
*SOURCE   6 OTHER_DETAILS: SYNTHETIC CONSTRUCT                                   
*KEYWDS    ANTIMICROBIAL PEPTIDE, ANTICANCER PEPTIDE, ANTI HIV-1, CATIONIC,      
*KEYWDS   2 AMPHIPATHIC, HISTIDINE RICH, HELICAL, LIPID BILAYERS, BACTERIAL CELL 
*KEYWDS   3 MEMBRANE MIMIC, 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 2MCV    0                                                


seq res N
1 PHE n/a
2 PHE 76.5
3 HIS 58.4
4 HIS 63.5
5 ILE 47.5
6 PHE 65.7
7 ARG 50.1
8 GLY 47.1
9 ILE 53.2
10 VAL 56.0
11 HIS 70.4
12 VAL 49.4
13 GLY 44.8
14 LYS 61.0
15 THR 68.9
16 ILE 40.4
17 HIS 61.1
18 ARG 59.3
19 LEU 52.6
20 VAL 47.1
21 THR 50.2
22 GLY 123.0

seq res Dipolar_coupling
1 PHE n/a
2 PHE 2.60
3 HIS 4.18
4 HIS 3.80
5 ILE 4.60
6 PHE 4.20
7 ARG 5.05
8 GLY 3.15
9 ILE 4.75
10 VAL 4.75
11 HIS 4.54
12 VAL 4.05
13 GLY 4.30
14 LYS 5.40
15 THR 2.85
16 ILE 5.05
17 HIS 4.81
18 ARG 5.10
19 LEU 3.10
20 VAL 4.85
21 THR 4.59
22 GLY n/a


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           HT1      PHE   1 -12.121 -10.290  -3.937
    2    H2   PHE   1           HT2      PHE   1 -12.208  -8.756  -3.212
    3    H3   PHE   1           HT3      PHE   1 -11.989 -10.141  -2.252
    4    HA   PHE   1           HA       PHE   1  -9.810  -9.993  -2.431
    5    HB2  PHE   1           HB2      PHE   1 -10.397  -9.923  -5.405
    6    HB3  PHE   1           HB1      PHE   1  -8.770 -10.032  -4.733
    7    HD1  PHE   1           HD1      PHE   1  -8.074 -12.015  -3.425
    8    HD2  PHE   1           HD2      PHE   1 -11.923 -11.797  -5.320
    9    HE1  PHE   1           HE1      PHE   1  -8.351 -14.463  -3.144
   10    HE2  PHE   1           HE2      PHE   1 -12.200 -14.246  -5.038
   11    HZ   PHE   1           HZ       PHE   1 -10.413 -15.579  -3.951
   12    H    PHE   2           HN       PHE   2 -11.606  -7.636  -4.371
   13    HA   PHE   2           HA       PHE   2  -9.791  -5.667  -4.787
   14    HB2  PHE   2           HB2      PHE   2 -12.212  -5.613  -5.420
   15    HB3  PHE   2           HB1      PHE   2 -12.590  -5.192  -3.748
   16    HD1  PHE   2           HD1      PHE   2 -10.757  -4.076  -6.785
   17    HD2  PHE   2           HD2      PHE   2 -12.270  -2.975  -2.919
   18    HE1  PHE   2           HE1      PHE   2 -10.268  -1.694  -7.272
   19    HE2  PHE   2           HE2      PHE   2 -11.781  -0.593  -3.405
   20    HZ   PHE   2           HZ       PHE   2 -10.778   0.047  -5.582
   21    H    HIS   3           HN       HIS   3 -11.403  -6.391  -1.687
   22    HA   HIS   3           HA       HIS   3 -10.611  -4.112  -0.264
   23    HB2  HIS   3           HB2      HIS   3 -11.023  -6.967   0.641
   24    HB3  HIS   3           HB1      HIS   3 -10.848  -5.595   1.737
   25    HD2  HIS   3           HD2      HIS   3 -13.570  -7.231  -0.493
   26    HE1  HIS   3           HE1      HIS   3 -15.199  -3.646   1.027
   27    HE2  HIS   3           HE2      HIS   3 -15.730  -5.790  -0.225
   28    H    HIS   4           HN       HIS   4  -9.002  -7.307  -0.412
   29    HA   HIS   4           HA       HIS   4  -6.696  -6.453   1.028
   30    HB2  HIS   4           HB2      HIS   4  -7.415  -8.821   0.863
   31    HB3  HIS   4           HB1      HIS   4  -6.990  -8.809  -0.849
   32    HD2  HIS   4           HD2      HIS   4  -5.142  -8.595   2.644
   33    HE1  HIS   4           HE1      HIS   4  -2.276  -9.380  -0.356
   34    HE2  HIS   4           HE2      HIS   4  -2.642  -9.162   2.148
   35    H    ILE   5           HN       ILE   5  -7.375  -6.890  -2.418
   36    HA   ILE   5           HA       ILE   5  -4.779  -6.284  -3.367
   37    HB   ILE   5           HB       ILE   5  -7.484  -6.020  -4.695
   38   HG12  ILE   5          HG12      ILE   5  -5.285  -8.071  -5.089
   39   HG13  ILE   5          HG11      ILE   5  -6.644  -8.309  -3.990
   40   HG21  ILE   5          HG21      ILE   5  -6.031  -4.553  -5.906
   41   HG22  ILE   5          HG22      ILE   5  -6.047  -6.060  -6.820
   42   HG23  ILE   5          HG23      ILE   5  -4.677  -5.675  -5.778
   43   HD11  ILE   5          HD11      ILE   5  -7.099  -9.335  -6.190
   44   HD12  ILE   5          HD12      ILE   5  -6.862  -7.771  -6.967
   45   HD13  ILE   5          HD13      ILE   5  -8.218  -8.011  -5.866
   46    H    PHE   6           HN       PHE   6  -7.626  -4.227  -2.810
   47    HA   PHE   6           HA       PHE   6  -6.496  -1.841  -3.863
   48    HB2  PHE   6           HB2      PHE   6  -8.912  -2.124  -3.551
   49    HB3  PHE   6           HB1      PHE   6  -8.684  -2.213  -1.806
   50    HD1  PHE   6           HD1      PHE   6  -8.025  -0.003  -4.754
   51    HD2  PHE   6           HD2      PHE   6  -8.656  -0.242  -0.512
   52    HE1  PHE   6           HE1      PHE   6  -8.083   2.473  -4.623
   53    HE2  PHE   6           HE2      PHE   6  -8.715   2.234  -0.382
   54    HZ   PHE   6           HZ       PHE   6  -8.428   3.591  -2.437
   55    H    ARG   7           HN       ARG   7  -6.776  -3.122  -0.561
   56    HA   ARG   7           HA       ARG   7  -5.469  -0.949   0.708
   57    HB2  ARG   7           HB2      ARG   7  -5.923  -3.814   1.551
   58    HB3  ARG   7           HB1      ARG   7  -5.167  -2.609   2.593
   59    HG2  ARG   7           HG2      ARG   7  -7.149  -1.196   2.473
   60    HG3  ARG   7           HG1      ARG   7  -7.902  -2.301   1.323
   61    HD2  ARG   7           HD2      ARG   7  -8.776  -2.702   3.581
   62    HD3  ARG   7           HD1      ARG   7  -7.853  -4.094   3.023
   63    HE   ARG   7           HE       ARG   7  -6.214  -3.615   4.634
   64   HH11  ARG   7          HH21      ARG   7  -8.592  -1.111   4.401
   65   HH12  ARG   7          HH22      ARG   7  -8.087  -0.309   5.850
   66   HH21  ARG   7          HH11      ARG   7  -5.547  -2.568   6.534
   67   HH22  ARG   7          HH12      ARG   7  -6.363  -1.133   7.057
   68    H    GLY   8           HN       GLY   8  -4.311  -3.977  -0.691
   69    HA2  GLY   8           HA2      GLY   8  -1.725  -4.071   0.332
   70    HA3  GLY   8           HA1      GLY   8  -2.201  -4.680  -1.250
   71    H    ILE   9           HN       ILE   9  -3.075  -2.103  -2.246
   72    HA   ILE   9           HA       ILE   9  -0.639  -1.185  -3.367
   73    HB   ILE   9           HB       ILE   9  -3.391   0.078  -3.270
   74   HG12  ILE   9          HG12      ILE   9  -1.920  -1.262  -5.557
   75   HG13  ILE   9          HG11      ILE   9  -3.035  -2.124  -4.496
   76   HG21  ILE   9          HG21      ILE   9  -0.848   0.902  -4.687
   77   HG22  ILE   9          HG22      ILE   9  -1.878   1.885  -3.649
   78   HG23  ILE   9          HG23      ILE   9  -2.442   1.407  -5.250
   79   HD11  ILE   9          HD11      ILE   9  -3.680   0.246  -6.270
   80   HD12  ILE   9          HD12      ILE   9  -4.796  -0.424  -5.080
   81   HD13  ILE   9          HD13      ILE   9  -4.273  -1.406  -6.448
   82    H    VAL  10           HN       VAL  10  -2.714   0.090  -0.799
   83    HA   VAL  10           HA       VAL  10  -1.305   2.469  -0.300
   84    HB   VAL  10           HB       VAL  10  -2.904   0.733   1.597
   85   HG11  VAL  10          HG11      VAL  10  -3.098   2.932   2.872
   86   HG12  VAL  10          HG12      VAL  10  -1.774   3.528   1.871
   87   HG13  VAL  10          HG13      VAL  10  -1.518   2.152   2.945
   88   HG21  VAL  10          HG21      VAL  10  -3.623   3.261   0.079
   89   HG22  VAL  10          HG22      VAL  10  -4.697   2.335   1.128
   90   HG23  VAL  10          HG23      VAL  10  -4.123   1.634  -0.385
   91    H    HIS  11           HN       HIS  11  -0.937  -0.774   1.126
   92    HA   HIS  11           HA       HIS  11   1.117  -0.102   2.953
   93    HB2  HIS  11           HB2      HIS  11   0.364  -2.707   1.618
   94    HB3  HIS  11           HB1      HIS  11   1.632  -2.584   2.838
   95    HD2  HIS  11           HD2      HIS  11   0.700  -2.121   5.482
   96    HE1  HIS  11           HE1      HIS  11  -3.413  -2.334   4.550
   97    HE2  HIS  11           HE2      HIS  11  -1.725  -2.232   6.445
   98    H    VAL  12           HN       VAL  12   1.226  -1.420  -0.331
   99    HA   VAL  12           HA       VAL  12   4.028  -1.632  -0.551
  100    HB   VAL  12           HB       VAL  12   1.926  -1.162  -2.680
  101   HG11  VAL  12          HG11      VAL  12   4.890  -1.728  -2.876
  102   HG12  VAL  12          HG12      VAL  12   3.980  -0.431  -3.650
  103   HG13  VAL  12          HG13      VAL  12   3.776  -2.097  -4.192
  104   HG21  VAL  12          HG21      VAL  12   1.996  -3.520  -2.998
  105   HG22  VAL  12          HG22      VAL  12   1.959  -3.308  -1.248
  106   HG23  VAL  12          HG23      VAL  12   3.479  -3.684  -2.057
  107    H    GLY  13           HN       GLY  13   1.828   1.024  -1.432
  108    HA2  GLY  13           HA2      GLY  13   3.860   2.770  -2.391
  109    HA3  GLY  13           HA1      GLY  13   2.230   3.242  -1.923
  110    H    LYS  14           HN       LYS  14   2.405   2.210   0.752
  111    HA   LYS  14           HA       LYS  14   3.385   4.473   2.108
  112    HB2  LYS  14           HB2      LYS  14   1.675   2.916   3.029
  113    HB3  LYS  14           HB1      LYS  14   2.940   1.707   3.255
  114    HG2  LYS  14           HG2      LYS  14   4.151   3.227   4.759
  115    HG3  LYS  14           HG1      LYS  14   2.928   4.472   4.504
  116    HD2  LYS  14           HD2      LYS  14   1.210   2.990   5.468
  117    HD3  LYS  14           HD1      LYS  14   2.428   1.739   5.720
  118    HE2  LYS  14           HE2      LYS  14   2.109   2.946   7.808
  119    HE3  LYS  14           HE1      LYS  14   3.701   3.342   7.161
  120    HZ1  LYS  14           HZ1      LYS  14   2.486   5.309   7.916
  121    HZ2  LYS  14           HZ2      LYS  14   1.255   4.984   6.790
  122    HZ3  LYS  14           HZ3      LYS  14   2.819   5.375   6.254
  123    H    THR  15           HN       THR  15   4.795   1.237   1.677
  124    HA   THR  15           HA       THR  15   7.150   1.754   3.188
  125    HB   THR  15           HB       THR  15   6.645  -0.276   0.999
  126    HG1  THR  15           HG1      THR  15   5.317  -0.774   2.623
  127   HG21  THR  15          HG21      THR  15   8.541  -1.471   2.204
  128   HG22  THR  15          HG22      THR  15   8.862   0.054   3.029
  129   HG23  THR  15          HG23      THR  15   9.011  -0.048   1.275
  130    H    ILE  16           HN       ILE  16   6.393   1.899  -0.258
  131    HA   ILE  16           HA       ILE  16   9.000   2.553  -1.158
  132    HB   ILE  16           HB       ILE  16   6.282   3.127  -2.365
  133   HG12  ILE  16          HG12      ILE  16   8.392   1.096  -3.151
  134   HG13  ILE  16          HG11      ILE  16   7.065   0.724  -2.050
  135   HG21  ILE  16          HG21      ILE  16   7.706   3.362  -4.496
  136   HG22  ILE  16          HG22      ILE  16   9.085   3.565  -3.415
  137   HG23  ILE  16          HG23      ILE  16   7.748   4.715  -3.366
  138   HD11  ILE  16          HD11      ILE  16   6.833   1.643  -4.929
  139   HD12  ILE  16          HD12      ILE  16   5.461   1.488  -3.831
  140   HD13  ILE  16          HD13      ILE  16   6.394   0.061  -4.284
  141    H    HIS  17           HN       HIS  17   6.213   4.584  -0.288
  142    HA   HIS  17           HA       HIS  17   7.366   7.076  -0.888
  143    HB2  HIS  17           HB2      HIS  17   5.247   6.266   1.108
  144    HB3  HIS  17           HB1      HIS  17   5.706   7.947   0.835
  145    HD2  HIS  17           HD2      HIS  17   2.943   5.892  -0.374
  146    HE1  HIS  17           HE1      HIS  17   4.133   7.951  -3.863
  147    HE2  HIS  17           HE2      HIS  17   2.284   6.564  -2.809
  148    H    ARG  18           HN       ARG  18   7.442   5.123   2.063
  149    HA   ARG  18           HA       ARG  18   8.758   7.012   3.705
  150    HB2  ARG  18           HB2      ARG  18   7.617   4.986   4.572
  151    HB3  ARG  18           HB1      ARG  18   8.884   3.989   3.857
  152    HG2  ARG  18           HG2      ARG  18  10.577   5.135   5.242
  153    HG3  ARG  18           HG1      ARG  18   9.316   6.146   5.949
  154    HD2  ARG  18           HD2      ARG  18   8.185   4.071   6.770
  155    HD3  ARG  18           HD1      ARG  18   9.546   3.134   6.166
  156    HE   ARG  18           HE       ARG  18  10.868   3.968   7.921
  157   HH11  ARG  18          HH21      ARG  18   7.774   5.511   7.753
  158   HH12  ARG  18          HH22      ARG  18   7.913   6.265   9.304
  159   HH21  ARG  18          HH11      ARG  18  11.057   4.957   9.956
  160   HH22  ARG  18          HH12      ARG  18   9.771   5.953  10.552
  161    H    LEU  19           HN       LEU  19   9.978   4.434   1.592
  162    HA   LEU  19           HA       LEU  19  12.702   4.703   2.256
  163    HB2  LEU  19           HB2      LEU  19  11.853   2.769   1.012
  164    HB3  LEU  19           HB1      LEU  19  11.437   3.805  -0.350
  165    HG   LEU  19           HG       LEU  19  13.815   4.385  -0.654
  166   HD11  LEU  19          HD11      LEU  19  15.427   2.804   0.730
  167   HD12  LEU  19          HD12      LEU  19  14.091   2.784   1.880
  168   HD13  LEU  19          HD13      LEU  19  14.848   4.312   1.438
  169   HD21  LEU  19          HD21      LEU  19  12.765   2.283  -1.670
  170   HD22  LEU  19          HD22      LEU  19  13.581   1.378  -0.394
  171   HD23  LEU  19          HD23      LEU  19  14.526   2.298  -1.565
  172    H    VAL  20           HN       VAL  20  10.736   6.261  -0.263
  173    HA   VAL  20           HA       VAL  20  12.820   7.687  -1.508
  174    HB   VAL  20           HB       VAL  20   9.871   8.331  -1.265
  175   HG11  VAL  20          HG11      VAL  20  10.961  10.375  -1.846
  176   HG12  VAL  20          HG12      VAL  20  10.386   9.697  -3.369
  177   HG13  VAL  20          HG13      VAL  20  12.086   9.550  -2.924
  178   HG21  VAL  20          HG21      VAL  20  10.685   6.162  -2.414
  179   HG22  VAL  20          HG22      VAL  20  11.372   7.221  -3.646
  180   HG23  VAL  20          HG23      VAL  20   9.632   7.221  -3.352
  181    H    THR  21           HN       THR  21  10.631   8.578   1.148
  182    HA   THR  21           HA       THR  21  11.655  11.213   1.467
  183    HB   THR  21           HB       THR  21  10.427   9.664   3.741
  184    HG1  THR  21           HG1      THR  21   9.420   9.875   1.278
  185   HG21  THR  21          HG21      THR  21  10.099  12.492   2.695
  186   HG22  THR  21          HG22      THR  21  11.076  12.018   4.083
  187   HG23  THR  21          HG23      THR  21   9.322  11.838   4.137
  188    H    GLY  22           HN       GLY  22  13.401   8.577   1.639
  189    HA2  GLY  22           HA2      GLY  22  15.538   8.262   2.502
  190    HA3  GLY  22           HA1      GLY  22  15.326   9.715   3.474
  191    HN1  NH2  23           HT1      GLY  22  13.032   7.041   5.396
  192    HN2  NH2  23           HT2      GLY  22  12.568   7.919   3.977
  Start of MODEL    2
    1    H1   PHE   1           HT1      PHE   1 -12.701 -10.174  -2.743
    2    H2   PHE   1           HT2      PHE   1 -12.817  -8.525  -3.136
    3    H3   PHE   1           HT3      PHE   1 -12.250  -8.997  -1.607
    4    HA   PHE   1           HA       PHE   1 -10.244  -9.817  -2.461
    5    HB2  PHE   1           HB2      PHE   1 -11.512  -9.383  -5.189
    6    HB3  PHE   1           HB1      PHE   1  -9.854  -9.916  -4.913
    7    HD1  PHE   1           HD2      PHE   1  -9.425 -12.088  -3.709
    8    HD2  PHE   1           HD1      PHE   1 -13.341 -10.905  -5.017
    9    HE1  PHE   1           HE2      PHE   1 -10.212 -14.428  -3.472
   10    HE2  PHE   1           HE1      PHE   1 -14.128 -13.246  -4.779
   11    HZ   PHE   1           HZ       PHE   1 -12.563 -15.007  -4.007
   12    H    PHE   2           HN       PHE   2 -11.952  -7.239  -4.290
   13    HA   PHE   2           HA       PHE   2  -9.898  -5.508  -4.712
   14    HB2  PHE   2           HB2      PHE   2 -12.750  -4.892  -3.949
   15    HB3  PHE   2           HB1      PHE   2 -11.623  -3.691  -4.575
   16    HD1  PHE   2           HD1      PHE   2 -10.635  -3.987  -6.869
   17    HD2  PHE   2           HD2      PHE   2 -13.805  -6.482  -5.390
   18    HE1  PHE   2           HE1      PHE   2 -11.143  -4.715  -9.185
   19    HE2  PHE   2           HE2      PHE   2 -14.312  -7.211  -7.706
   20    HZ   PHE   2           HZ       PHE   2 -12.980  -6.328  -9.604
   21    H    HIS   3           HN       HIS   3 -11.627  -5.967  -1.635
   22    HA   HIS   3           HA       HIS   3 -10.710  -3.690  -0.292
   23    HB2  HIS   3           HB2      HIS   3 -11.283  -6.471   0.748
   24    HB3  HIS   3           HB1      HIS   3 -11.098  -5.041   1.763
   25    HD2  HIS   3           HD2      HIS   3 -13.818  -6.769  -0.362
   26    HE1  HIS   3           HE1      HIS   3 -15.335  -2.974   0.697
   27    HE2  HIS   3           HE2      HIS   3 -15.924  -5.224  -0.320
   28    H    HIS   4           HN       HIS   4  -9.306  -6.985  -0.274
   29    HA   HIS   4           HA       HIS   4  -6.966  -6.183   1.161
   30    HB2  HIS   4           HB2      HIS   4  -7.642  -8.666  -0.422
   31    HB3  HIS   4           HB1      HIS   4  -6.122  -8.458   0.449
   32    HD2  HIS   4           HD2      HIS   4  -9.552  -9.835   1.183
   33    HE1  HIS   4           HE1      HIS   4  -8.067  -8.569   4.928
   34    HE2  HIS   4           HE2      HIS   4  -9.878  -9.926   3.773
   35    H    ILE   5           HN       ILE   5  -7.643  -6.820  -2.255
   36    HA   ILE   5           HA       ILE   5  -4.996  -6.512  -3.203
   37    HB   ILE   5           HB       ILE   5  -7.654  -6.119  -4.585
   38   HG12  ILE   5          HG12      ILE   5  -5.646  -8.380  -4.795
   39   HG13  ILE   5          HG11      ILE   5  -7.030  -8.415  -3.703
   40   HG21  ILE   5          HG21      ILE   5  -4.824  -6.116  -5.661
   41   HG22  ILE   5          HG22      ILE   5  -6.062  -4.880  -5.879
   42   HG23  ILE   5          HG23      ILE   5  -6.224  -6.439  -6.682
   43   HD11  ILE   5          HD11      ILE   5  -7.698  -9.546  -5.720
   44   HD12  ILE   5          HD12      ILE   5  -7.080  -8.238  -6.725
   45   HD13  ILE   5          HD13      ILE   5  -8.504  -7.977  -5.718
   46    H    PHE   6           HN       PHE   6  -7.657  -4.177  -2.848
   47    HA   PHE   6           HA       PHE   6  -6.278  -1.987  -4.043
   48    HB2  PHE   6           HB2      PHE   6  -8.739  -2.084  -3.779
   49    HB3  PHE   6           HB1      PHE   6  -8.542  -1.941  -2.032
   50    HD1  PHE   6           HD2      PHE   6  -7.786  -0.234  -5.266
   51    HD2  PHE   6           HD1      PHE   6  -8.242   0.178  -1.014
   52    HE1  PHE   6           HE2      PHE   6  -7.640   2.232  -5.488
   53    HE2  PHE   6           HE1      PHE   6  -8.095   2.642  -1.237
   54    HZ   PHE   6           HZ       PHE   6  -7.795   3.671  -3.474
   55    H    ARG   7           HN       ARG   7  -6.748  -3.037  -0.694
   56    HA   ARG   7           HA       ARG   7  -5.359  -0.887   0.512
   57    HB2  ARG   7           HB2      ARG   7  -5.941  -3.690   1.486
   58    HB3  ARG   7           HB1      ARG   7  -5.217  -2.439   2.492
   59    HG2  ARG   7           HG2      ARG   7  -7.808  -1.909   1.040
   60    HG3  ARG   7           HG1      ARG   7  -7.813  -2.786   2.569
   61    HD2  ARG   7           HD2      ARG   7  -6.534  -0.865   3.589
   62    HD3  ARG   7           HD1      ARG   7  -6.750   0.012   2.078
   63    HE   ARG   7           HE       ARG   7  -9.201  -0.971   3.308
   64   HH11  ARG   7          HH21      ARG   7  -6.910   1.594   2.909
   65   HH12  ARG   7          HH22      ARG   7  -8.013   2.839   3.390
   66   HH21  ARG   7          HH11      ARG   7 -10.652   0.659   3.944
   67   HH22  ARG   7          HH12      ARG   7 -10.130   2.310   3.977
   68    H    GLY   8           HN       GLY   8  -4.303  -4.013  -0.724
   69    HA2  GLY   8           HA2      GLY   8  -1.752  -4.178   0.378
   70    HA3  GLY   8           HA1      GLY   8  -2.210  -4.823  -1.195
   71    H    ILE   9           HN       ILE   9  -2.948  -2.241  -2.300
   72    HA   ILE   9           HA       ILE   9  -0.443  -1.475  -3.389
   73    HB   ILE   9           HB       ILE   9  -3.005   0.141  -3.365
   74   HG12  ILE   9          HG12      ILE   9  -3.479  -2.099  -4.177
   75   HG13  ILE   9          HG11      ILE   9  -3.446  -0.996  -5.547
   76   HG21  ILE   9          HG21      ILE   9  -2.032   0.881  -5.611
   77   HG22  ILE   9          HG22      ILE   9  -0.518   0.144  -5.086
   78   HG23  ILE   9          HG23      ILE   9  -1.208   1.488  -4.174
   79   HD11  ILE   9          HD11      ILE   9  -2.171  -2.784  -6.337
   80   HD12  ILE   9          HD12      ILE   9  -1.454  -3.101  -4.761
   81   HD13  ILE   9          HD13      ILE   9  -0.915  -1.719  -5.712
   82    H    VAL  10           HN       VAL  10  -2.519  -0.003  -0.929
   83    HA   VAL  10           HA       VAL  10  -0.980   2.304  -0.465
   84    HB   VAL  10           HB       VAL  10  -2.745   0.743   1.438
   85   HG11  VAL  10          HG11      VAL  10  -1.482   3.489   1.634
   86   HG12  VAL  10          HG12      VAL  10  -1.307   2.145   2.762
   87   HG13  VAL  10          HG13      VAL  10  -2.851   2.986   2.627
   88   HG21  VAL  10          HG21      VAL  10  -4.363   2.573   0.872
   89   HG22  VAL  10          HG22      VAL  10  -3.956   1.558  -0.511
   90   HG23  VAL  10          HG23      VAL  10  -3.224   3.154  -0.343
   91    H    HIS  11           HN       HIS  11  -0.882  -0.894   1.105
   92    HA   HIS  11           HA       HIS  11   1.214  -0.249   2.921
   93    HB2  HIS  11           HB2      HIS  11   0.125  -2.858   1.857
   94    HB3  HIS  11           HB1      HIS  11   1.462  -2.798   3.008
   95    HD2  HIS  11           HD2      HIS  11   0.670  -2.441   5.647
   96    HE1  HIS  11           HE1      HIS  11  -3.360  -1.432   4.899
   97    HE2  HIS  11           HE2      HIS  11  -1.657  -1.927   6.716
   98    H    VAL  12           HN       VAL  12   1.156  -1.785  -0.262
   99    HA   VAL  12           HA       VAL  12   3.906  -2.384  -0.437
  100    HB   VAL  12           HB       VAL  12   1.835  -1.834  -2.572
  101   HG11  VAL  12          HG11      VAL  12   3.888  -1.296  -3.648
  102   HG12  VAL  12          HG12      VAL  12   3.581  -2.979  -4.078
  103   HG13  VAL  12          HG13      VAL  12   4.753  -2.590  -2.818
  104   HG21  VAL  12          HG21      VAL  12   1.842  -3.935  -1.000
  105   HG22  VAL  12          HG22      VAL  12   3.214  -4.453  -1.977
  106   HG23  VAL  12          HG23      VAL  12   1.648  -4.169  -2.734
  107    H    GLY  13           HN       GLY  13   2.079   0.489  -1.449
  108    HA2  GLY  13           HA2      GLY  13   4.359   1.886  -2.480
  109    HA3  GLY  13           HA1      GLY  13   2.778   2.584  -2.146
  110    H    LYS  14           HN       LYS  14   2.841   1.596   0.625
  111    HA   LYS  14           HA       LYS  14   3.725   3.867   1.958
  112    HB2  LYS  14           HB2      LYS  14   2.228   2.128   2.947
  113    HB3  LYS  14           HB1      LYS  14   3.634   1.079   3.130
  114    HG2  LYS  14           HG2      LYS  14   4.716   2.724   4.582
  115    HG3  LYS  14           HG1      LYS  14   3.365   3.837   4.358
  116    HD2  LYS  14           HD2      LYS  14   1.838   2.183   5.380
  117    HD3  LYS  14           HD1      LYS  14   3.197   1.085   5.623
  118    HE2  LYS  14           HE2      LYS  14   4.302   2.755   7.060
  119    HE3  LYS  14           HE1      LYS  14   2.954   3.866   6.808
  120    HZ1  LYS  14           HZ1      LYS  14   2.935   2.433   8.897
  121    HZ2  LYS  14           HZ2      LYS  14   2.521   1.145   7.871
  122    HZ3  LYS  14           HZ3      LYS  14   1.507   2.504   7.985
  123    H    THR  15           HN       THR  15   5.477   0.822   1.391
  124    HA   THR  15           HA       THR  15   7.801   1.492   2.869
  125    HB   THR  15           HB       THR  15   7.682  -0.297   0.436
  126    HG1  THR  15           HG1      THR  15   6.215  -0.493   2.546
  127   HG21  THR  15          HG21      THR  15   9.525  -1.443   1.534
  128   HG22  THR  15          HG22      THR  15   9.380  -0.393   2.943
  129   HG23  THR  15          HG23      THR  15   9.919   0.270   1.399
  130    H    ILE  16           HN       ILE  16   6.931   1.886  -0.528
  131    HA   ILE  16           HA       ILE  16   9.434   2.965  -1.373
  132    HB   ILE  16           HB       ILE  16   6.643   3.036  -2.527
  133   HG12  ILE  16          HG12      ILE  16   7.644   1.621  -4.231
  134   HG13  ILE  16          HG11      ILE  16   9.254   1.893  -3.566
  135   HG21  ILE  16          HG21      ILE  16   7.462   5.133  -3.278
  136   HG22  ILE  16          HG22      ILE  16   7.837   4.024  -4.596
  137   HG23  ILE  16          HG23      ILE  16   9.104   4.517  -3.471
  138   HD11  ILE  16          HD11      ILE  16   8.792   0.623  -1.624
  139   HD12  ILE  16          HD12      ILE  16   8.062  -0.310  -2.930
  140   HD13  ILE  16          HD13      ILE  16   7.051   0.693  -1.894
  141    H    HIS  17           HN       HIS  17   6.376   4.479  -0.387
  142    HA   HIS  17           HA       HIS  17   7.102   7.143  -0.704
  143    HB2  HIS  17           HB2      HIS  17   4.813   6.438  -0.178
  144    HB3  HIS  17           HB1      HIS  17   5.323   5.958   1.440
  145    HD2  HIS  17           HD2      HIS  17   5.220   8.011   3.284
  146    HE1  HIS  17           HE1      HIS  17   4.966  11.235   0.572
  147    HE2  HIS  17           HE2      HIS  17   4.928  10.592   3.029
  148    H    ARG  18           HN       ARG  18   7.515   5.073   2.169
  149    HA   ARG  18           HA       ARG  18   8.703   7.049   3.804
  150    HB2  ARG  18           HB2      ARG  18   8.862   4.033   3.826
  151    HB3  ARG  18           HB1      ARG  18   9.617   5.042   5.059
  152    HG2  ARG  18           HG2      ARG  18   7.444   6.041   5.608
  153    HG3  ARG  18           HG1      ARG  18   6.671   5.084   4.344
  154    HD2  ARG  18           HD2      ARG  18   8.186   3.886   6.677
  155    HD3  ARG  18           HD1      ARG  18   6.439   4.109   6.655
  156    HE   ARG  18           HE       ARG  18   7.100   2.705   4.337
  157   HH11  ARG  18          HH21      ARG  18   7.309   2.340   7.772
  158   HH12  ARG  18          HH22      ARG  18   7.172   0.614   7.735
  159   HH21  ARG  18          HH11      ARG  18   6.919   0.441   4.281
  160   HH22  ARG  18          HH12      ARG  18   6.951  -0.461   5.758
  161    H    LEU  19           HN       LEU  19  10.085   4.670   1.562
  162    HA   LEU  19           HA       LEU  19  12.799   5.148   2.161
  163    HB2  LEU  19           HB2      LEU  19  12.077   3.204   0.878
  164    HB3  LEU  19           HB1      LEU  19  11.506   4.245  -0.422
  165    HG   LEU  19           HG       LEU  19  14.343   4.732   0.333
  166   HD11  LEU  19          HD11      LEU  19  14.367   2.323   0.646
  167   HD12  LEU  19          HD12      LEU  19  15.168   2.717  -0.876
  168   HD13  LEU  19          HD13      LEU  19  13.523   2.079  -0.886
  169   HD21  LEU  19          HD21      LEU  19  14.629   4.792  -2.085
  170   HD22  LEU  19          HD22      LEU  19  13.181   5.707  -1.663
  171   HD23  LEU  19          HD23      LEU  19  13.035   4.079  -2.327
  172    H    VAL  20           HN       VAL  20  10.627   6.627  -0.235
  173    HA   VAL  20           HA       VAL  20  12.543   8.291  -1.466
  174    HB   VAL  20           HB       VAL  20   9.552   8.626  -1.138
  175   HG11  VAL  20          HG11      VAL  20  11.588  10.154  -2.772
  176   HG12  VAL  20          HG12      VAL  20  10.418  10.799  -1.622
  177   HG13  VAL  20          HG13      VAL  20   9.868  10.148  -3.168
  178   HG21  VAL  20          HG21      VAL  20   9.372   7.595  -3.263
  179   HG22  VAL  20          HG22      VAL  20  10.576   6.619  -2.424
  180   HG23  VAL  20          HG23      VAL  20  11.085   7.815  -3.616
  181    H    THR  21           HN       THR  21  10.346   8.847   1.273
  182    HA   THR  21           HA       THR  21  11.177  11.549   1.700
  183    HB   THR  21           HB       THR  21   9.982  11.288   3.878
  184    HG1  THR  21           HG1      THR  21   9.042   8.810   3.112
  185   HG21  THR  21          HG21      THR  21   8.544  10.239   1.424
  186   HG22  THR  21          HG22      THR  21   8.754  11.937   1.857
  187   HG23  THR  21          HG23      THR  21   7.757  10.886   2.865
  188    H    GLY  22           HN       GLY  22  12.951   8.863   1.917
  189    HA2  GLY  22           HA2      GLY  22  14.850   8.232   3.059
  190    HA3  GLY  22           HA1      GLY  22  15.081   9.957   3.329
  191    HN1  NH2  23           HT1      GLY  22  12.534   8.953   6.263
  192    HN2  NH2  23           HT2      GLY  22  12.091   9.264   4.618
  Start of MODEL    3
    1    H1   PHE   1           HT1      PHE   1 -12.536  -9.379  -3.410
    2    H2   PHE   1           HT2      PHE   1 -11.876  -8.952  -1.903
    3    H3   PHE   1           HT3      PHE   1 -11.932 -10.584  -2.378
    4    HA   PHE   1           HA       PHE   1  -9.738 -10.033  -2.763
    5    HB2  PHE   1           HB2      PHE   1 -11.231  -9.433  -5.339
    6    HB3  PHE   1           HB1      PHE   1  -9.535  -9.902  -5.223
    7    HD1  PHE   1           HD1      PHE   1  -8.897 -12.164  -4.437
    8    HD2  PHE   1           HD2      PHE   1 -13.002 -11.044  -5.022
    9    HE1  PHE   1           HE1      PHE   1  -9.558 -14.552  -4.370
   10    HE2  PHE   1           HE2      PHE   1 -13.664 -13.433  -4.955
   11    HZ   PHE   1           HZ       PHE   1 -11.942 -15.186  -4.629
   12    H    PHE   2           HN       PHE   2 -11.765  -7.451  -4.220
   13    HA   PHE   2           HA       PHE   2  -9.890  -5.526  -4.614
   14    HB2  PHE   2           HB2      PHE   2 -12.284  -5.332  -5.212
   15    HB3  PHE   2           HB1      PHE   2 -12.667  -5.057  -3.512
   16    HD1  PHE   2           HD2      PHE   2 -10.595  -3.736  -6.332
   17    HD2  PHE   2           HD1      PHE   2 -12.519  -2.892  -2.586
   18    HE1  PHE   2           HE2      PHE   2 -10.066  -1.328  -6.602
   19    HE2  PHE   2           HE1      PHE   2 -11.989  -0.484  -2.855
   20    HZ   PHE   2           HZ       PHE   2 -10.762   0.298  -4.864
   21    H    HIS   3           HN       HIS   3 -11.462  -6.276  -1.492
   22    HA   HIS   3           HA       HIS   3 -10.555  -4.087  -0.036
   23    HB2  HIS   3           HB2      HIS   3 -10.973  -6.963   0.805
   24    HB3  HIS   3           HB1      HIS   3 -10.731  -5.631   1.936
   25    HD2  HIS   3           HD2      HIS   3 -13.514  -7.018  -0.450
   26    HE1  HIS   3           HE1      HIS   3 -15.117  -3.703   1.616
   27    HE2  HIS   3           HE2      HIS   3 -15.667  -5.629   0.056
   28    H    HIS   4           HN       HIS   4  -9.002  -7.296  -0.338
   29    HA   HIS   4           HA       HIS   4  -6.629  -6.500   1.035
   30    HB2  HIS   4           HB2      HIS   4  -7.403  -8.852   0.881
   31    HB3  HIS   4           HB1      HIS   4  -7.035  -8.839  -0.845
   32    HD2  HIS   4           HD2      HIS   4  -5.167  -9.149   2.557
   33    HE1  HIS   4           HE1      HIS   4  -2.245  -9.156  -0.489
   34    HE2  HIS   4           HE2      HIS   4  -2.645  -9.517   1.993
   35    H    ILE   5           HN       ILE   5  -7.427  -6.926  -2.386
   36    HA   ILE   5           HA       ILE   5  -4.861  -6.373  -3.430
   37    HB   ILE   5           HB       ILE   5  -7.607  -6.049  -4.660
   38   HG12  ILE   5          HG12      ILE   5  -5.485  -8.165  -5.119
   39   HG13  ILE   5          HG11      ILE   5  -6.810  -8.360  -3.971
   40   HG21  ILE   5          HG21      ILE   5  -4.832  -5.801  -5.848
   41   HG22  ILE   5          HG22      ILE   5  -6.152  -4.632  -5.930
   42   HG23  ILE   5          HG23      ILE   5  -6.254  -6.141  -6.833
   43   HD11  ILE   5          HD11      ILE   5  -7.074  -7.886  -6.952
   44   HD12  ILE   5          HD12      ILE   5  -8.427  -7.944  -5.825
   45   HD13  ILE   5          HD13      ILE   5  -7.441  -9.382  -6.093
   46    H    PHE   6           HN       PHE   6  -7.634  -4.251  -2.783
   47    HA   PHE   6           HA       PHE   6  -6.455  -1.895  -3.865
   48    HB2  PHE   6           HB2      PHE   6  -8.894  -2.176  -3.504
   49    HB3  PHE   6           HB1      PHE   6  -8.620  -2.137  -1.762
   50    HD1  PHE   6           HD2      PHE   6  -8.222  -0.173  -4.904
   51    HD2  PHE   6           HD1      PHE   6  -8.321  -0.077  -0.610
   52    HE1  PHE   6           HE2      PHE   6  -8.243   2.306  -4.960
   53    HE2  PHE   6           HE1      PHE   6  -8.344   2.403  -0.668
   54    HZ   PHE   6           HZ       PHE   6  -8.305   3.593  -2.843
   55    H    ARG   7           HN       ARG   7  -6.710  -3.221  -0.589
   56    HA   ARG   7           HA       ARG   7  -5.399  -1.076   0.719
   57    HB2  ARG   7           HB2      ARG   7  -5.815  -3.970   1.490
   58    HB3  ARG   7           HB1      ARG   7  -5.070  -2.787   2.560
   59    HG2  ARG   7           HG2      ARG   7  -7.747  -2.182   1.302
   60    HG3  ARG   7           HG1      ARG   7  -7.665  -3.224   2.720
   61    HD2  ARG   7           HD2      ARG   7  -6.404  -1.425   3.917
   62    HD3  ARG   7           HD1      ARG   7  -6.635  -0.377   2.521
   63    HE   ARG   7           HE       ARG   7  -9.119  -1.433   3.487
   64   HH11  ARG   7          HH21      ARG   7  -6.642   0.933   3.982
   65   HH12  ARG   7          HH22      ARG   7  -7.685   2.063   4.777
   66   HH21  ARG   7          HH11      ARG   7 -10.496   0.046   4.532
   67   HH22  ARG   7          HH12      ARG   7  -9.867   1.561   5.090
   68    H    GLY   8           HN       GLY   8  -4.221  -4.066  -0.748
   69    HA2  GLY   8           HA2      GLY   8  -1.595  -4.039   0.255
   70    HA3  GLY   8           HA1      GLY   8  -2.103  -4.781  -1.259
   71    H    ILE   9           HN       ILE   9  -3.081  -2.374  -2.472
   72    HA   ILE   9           HA       ILE   9  -0.676  -1.422  -3.662
   73    HB   ILE   9           HB       ILE   9  -3.507  -0.354  -3.751
   74   HG12  ILE   9          HG12      ILE   9  -1.880  -1.824  -5.845
   75   HG13  ILE   9          HG11      ILE   9  -2.974  -2.638  -4.726
   76   HG21  ILE   9          HG21      ILE   9  -0.991   0.491  -5.208
   77   HG22  ILE   9          HG22      ILE   9  -2.102   1.506  -4.287
   78   HG23  ILE   9          HG23      ILE   9  -2.603   0.830  -5.836
   79   HD11  ILE   9          HD11      ILE   9  -4.086  -2.154  -6.886
   80   HD12  ILE   9          HD12      ILE   9  -3.770  -0.435  -6.651
   81   HD13  ILE   9          HD13      ILE   9  -4.855  -1.290  -5.554
   82    H    VAL  10           HN       VAL  10  -2.919  -0.029  -1.307
   83    HA   VAL  10           HA       VAL  10  -1.644   2.465  -1.010
   84    HB   VAL  10           HB       VAL  10  -3.307   0.886   0.967
   85   HG11  VAL  10          HG11      VAL  10  -2.089   2.510   2.227
   86   HG12  VAL  10          HG12      VAL  10  -3.676   3.224   1.936
   87   HG13  VAL  10          HG13      VAL  10  -2.291   3.735   0.973
   88   HG21  VAL  10          HG21      VAL  10  -4.434   1.478  -1.173
   89   HG22  VAL  10          HG22      VAL  10  -4.014   3.171  -0.906
   90   HG23  VAL  10          HG23      VAL  10  -5.120   2.352   0.197
   91    H    HIS  11           HN       HIS  11  -1.246  -0.575   0.800
   92    HA   HIS  11           HA       HIS  11   0.642   0.422   2.664
   93    HB2  HIS  11           HB2      HIS  11  -0.608  -1.706   2.945
   94    HB3  HIS  11           HB1      HIS  11   0.340  -2.409   1.635
   95    HD2  HIS  11           HD2      HIS  11   1.062  -0.917   5.252
   96    HE1  HIS  11           HE1      HIS  11   4.173  -3.573   4.205
   97    HE2  HIS  11           HE2      HIS  11   3.251  -2.095   6.053
   98    H    VAL  12           HN       VAL  12   1.114  -1.514  -0.293
   99    HA   VAL  12           HA       VAL  12   3.853  -1.670  -0.365
  100    HB   VAL  12           HB       VAL  12   1.875  -1.289  -2.617
  101   HG11  VAL  12          HG11      VAL  12   3.843  -2.196  -4.035
  102   HG12  VAL  12          HG12      VAL  12   4.874  -1.653  -2.713
  103   HG13  VAL  12          HG13      VAL  12   3.881  -0.490  -3.593
  104   HG21  VAL  12          HG21      VAL  12   2.107  -3.649  -2.901
  105   HG22  VAL  12          HG22      VAL  12   1.945  -3.402  -1.162
  106   HG23  VAL  12          HG23      VAL  12   3.531  -3.709  -1.863
  107    H    GLY  13           HN       GLY  13   1.844   1.129  -1.004
  108    HA2  GLY  13           HA2      GLY  13   3.959   2.738  -2.119
  109    HA3  GLY  13           HA1      GLY  13   2.372   3.306  -1.612
  110    H    LYS  14           HN       LYS  14   2.564   2.211   1.046
  111    HA   LYS  14           HA       LYS  14   3.689   4.416   2.400
  112    HB2  LYS  14           HB2      LYS  14   2.958   1.658   3.421
  113    HB3  LYS  14           HB1      LYS  14   3.402   3.007   4.461
  114    HG2  LYS  14           HG2      LYS  14   1.191   3.335   2.434
  115    HG3  LYS  14           HG1      LYS  14   0.862   2.548   3.977
  116    HD2  LYS  14           HD2      LYS  14   1.732   4.542   5.169
  117    HD3  LYS  14           HD1      LYS  14   2.009   5.339   3.621
  118    HE2  LYS  14           HE2      LYS  14  -0.397   5.159   3.094
  119    HE3  LYS  14           HE1      LYS  14  -0.672   4.390   4.659
  120    HZ1  LYS  14           HZ1      LYS  14   0.396   7.124   4.207
  121    HZ2  LYS  14           HZ2      LYS  14   0.235   6.381   5.726
  122    HZ3  LYS  14           HZ3      LYS  14  -1.145   6.733   4.799
  123    H    THR  15           HN       THR  15   4.948   1.133   1.872
  124    HA   THR  15           HA       THR  15   7.359   1.566   3.343
  125    HB   THR  15           HB       THR  15   8.122  -0.495   2.058
  126    HG1  THR  15           HG1      THR  15   6.957  -0.535   0.258
  127   HG21  THR  15          HG21      THR  15   5.452  -0.648   3.485
  128   HG22  THR  15          HG22      THR  15   7.023  -0.579   4.282
  129   HG23  THR  15          HG23      THR  15   6.600  -1.970   3.284
  130    H    ILE  16           HN       ILE  16   6.504   1.719  -0.085
  131    HA   ILE  16           HA       ILE  16   9.117   2.271  -1.053
  132    HB   ILE  16           HB       ILE  16   6.391   2.870  -2.227
  133   HG12  ILE  16          HG12      ILE  16   8.447   0.781  -2.998
  134   HG13  ILE  16          HG11      ILE  16   7.135   0.461  -1.863
  135   HG21  ILE  16          HG21      ILE  16   9.182   3.187  -3.359
  136   HG22  ILE  16          HG22      ILE  16   7.907   4.403  -3.276
  137   HG23  ILE  16          HG23      ILE  16   7.755   3.042  -4.384
  138   HD11  ILE  16          HD11      ILE  16   6.856   1.329  -4.752
  139   HD12  ILE  16          HD12      ILE  16   5.508   1.197  -3.624
  140   HD13  ILE  16          HD13      ILE  16   6.423  -0.241  -4.078
  141    H    HIS  17           HN       HIS  17   6.416   4.377  -0.119
  142    HA   HIS  17           HA       HIS  17   7.622   6.829  -0.835
  143    HB2  HIS  17           HB2      HIS  17   5.483   6.141   1.183
  144    HB3  HIS  17           HB1      HIS  17   5.981   7.797   0.839
  145    HD2  HIS  17           HD2      HIS  17   3.132   5.849  -0.247
  146    HE1  HIS  17           HE1      HIS  17   4.433   7.565  -3.879
  147    HE2  HIS  17           HE2      HIS  17   2.504   6.383  -2.726
  148    H    ARG  18           HN       ARG  18   7.810   4.845   2.067
  149    HA   ARG  18           HA       ARG  18   8.974   6.711   3.813
  150    HB2  ARG  18           HB2      ARG  18   8.135   4.474   4.499
  151    HB3  ARG  18           HB1      ARG  18   9.504   3.733   3.673
  152    HG2  ARG  18           HG2      ARG  18  11.064   4.973   5.135
  153    HG3  ARG  18           HG1      ARG  18   9.694   5.710   5.965
  154    HD2  ARG  18           HD2      ARG  18  10.174   2.725   5.793
  155    HD3  ARG  18           HD1      ARG  18  10.642   3.724   7.166
  156    HE   ARG  18           HE       ARG  18   7.952   2.881   6.475
  157   HH11  ARG  18          HH21      ARG  18   9.970   5.137   8.153
  158   HH12  ARG  18          HH22      ARG  18   8.753   5.581   9.302
  159   HH21  ARG  18          HH11      ARG  18   6.351   3.459   7.980
  160   HH22  ARG  18          HH12      ARG  18   6.704   4.632   9.204
  161    H    LEU  19           HN       LEU  19  10.486   4.456   1.508
  162    HA   LEU  19           HA       LEU  19  13.164   5.118   2.128
  163    HB2  LEU  19           HB2      LEU  19  12.079   4.184  -0.538
  164    HB3  LEU  19           HB1      LEU  19  13.738   4.030   0.042
  165    HG   LEU  19           HG       LEU  19  11.308   2.746   1.324
  166   HD11  LEU  19          HD11      LEU  19  13.526   1.629  -0.412
  167   HD12  LEU  19          HD12      LEU  19  11.801   1.654  -0.773
  168   HD13  LEU  19          HD13      LEU  19  12.414   0.628   0.523
  169   HD21  LEU  19          HD21      LEU  19  12.826   3.020   3.087
  170   HD22  LEU  19          HD22      LEU  19  14.236   2.865   2.037
  171   HD23  LEU  19          HD23      LEU  19  13.292   1.439   2.468
  172    H    VAL  20           HN       VAL  20  10.905   6.409  -0.291
  173    HA   VAL  20           HA       VAL  20  12.726   8.186  -1.524
  174    HB   VAL  20           HB       VAL  20   9.711   8.290  -1.280
  175   HG11  VAL  20          HG11      VAL  20   9.989   9.775  -3.358
  176   HG12  VAL  20          HG12      VAL  20  11.677   9.945  -2.875
  177   HG13  VAL  20          HG13      VAL  20  10.393  10.511  -1.806
  178   HG21  VAL  20          HG21      VAL  20  11.535   7.411  -3.543
  179   HG22  VAL  20          HG22      VAL  20   9.771   7.367  -3.548
  180   HG23  VAL  20          HG23      VAL  20  10.676   6.316  -2.459
  181    H    THR  21           HN       THR  21  10.412   8.628   1.139
  182    HA   THR  21           HA       THR  21  10.881  11.389   1.522
  183    HB   THR  21           HB       THR  21  10.081   9.403   3.655
  184    HG1  THR  21           HG1      THR  21   8.269  10.822   2.058
  185   HG21  THR  21          HG21      THR  21   9.470  12.341   3.220
  186   HG22  THR  21          HG22      THR  21  10.574  11.686   4.430
  187   HG23  THR  21          HG23      THR  21   8.846  11.351   4.540
  188    H    GLY  22           HN       GLY  22  12.995  11.995   1.651
  189    HA2  GLY  22           HA2      GLY  22  14.360  11.544   4.140
  190    HA3  GLY  22           HA1      GLY  22  15.146  10.733   2.789
  191    HN1  NH2  23           HT1      GLY  22  14.894  14.527   1.502
  192    HN2  NH2  23           HT2      GLY  22  13.608  13.369   1.455
  Start of MODEL    4
    1    H1   PHE   1           HT1      PHE   1 -12.434 -10.089  -3.818
    2    H2   PHE   1           HT2      PHE   1 -12.349  -8.824  -2.685
    3    H3   PHE   1           HT3      PHE   1 -12.205 -10.438  -2.175
    4    HA   PHE   1           HA       PHE   1 -10.025 -10.202  -2.301
    5    HB2  PHE   1           HB2      PHE   1 -10.763 -10.044  -5.235
    6    HB3  PHE   1           HB1      PHE   1  -9.099 -10.200  -4.668
    7    HD1  PHE   1           HD2      PHE   1  -8.393 -12.199  -3.368
    8    HD2  PHE   1           HD1      PHE   1 -12.307 -11.900  -5.116
    9    HE1  PHE   1           HE2      PHE   1  -8.722 -14.635  -3.049
   10    HE2  PHE   1           HE1      PHE   1 -12.635 -14.338  -4.796
   11    HZ   PHE   1           HZ       PHE   1 -10.843 -15.705  -3.763
   12    H    PHE   2           HN       PHE   2 -11.712  -7.686  -4.148
   13    HA   PHE   2           HA       PHE   2  -9.748  -5.866  -4.567
   14    HB2  PHE   2           HB2      PHE   2 -12.565  -5.272  -3.634
   15    HB3  PHE   2           HB1      PHE   2 -11.493  -4.142  -4.461
   16    HD1  PHE   2           HD2      PHE   2 -10.744  -4.625  -6.817
   17    HD2  PHE   2           HD1      PHE   2 -13.746  -6.965  -4.826
   18    HE1  PHE   2           HE2      PHE   2 -11.482  -5.538  -9.003
   19    HE2  PHE   2           HE1      PHE   2 -14.485  -7.878  -7.010
   20    HZ   PHE   2           HZ       PHE   2 -13.352  -7.164  -9.098
   21    H    HIS   3           HN       HIS   3 -11.321  -6.524  -1.456
   22    HA   HIS   3           HA       HIS   3 -10.513  -4.248  -0.068
   23    HB2  HIS   3           HB2      HIS   3 -10.820  -7.104   0.875
   24    HB3  HIS   3           HB1      HIS   3 -10.610  -5.726   1.957
   25    HD2  HIS   3           HD2      HIS   3 -12.941  -4.191   2.347
   26    HE1  HIS   3           HE1      HIS   3 -15.382  -6.274  -0.397
   27    HE2  HIS   3           HE2      HIS   3 -15.360  -4.489   1.410
   28    H    HIS   4           HN       HIS   4  -8.810  -7.385  -0.327
   29    HA   HIS   4           HA       HIS   4  -6.474  -6.466   1.039
   30    HB2  HIS   4           HB2      HIS   4  -6.961  -8.879  -0.711
   31    HB3  HIS   4           HB1      HIS   4  -5.469  -8.589   0.183
   32    HD2  HIS   4           HD2      HIS   4  -8.968 -10.056   0.807
   33    HE1  HIS   4           HE1      HIS   4  -7.223  -9.468   4.607
   34    HE2  HIS   4           HE2      HIS   4  -9.163 -10.539   3.366
   35    H    ILE   5           HN       ILE   5  -7.219  -7.019  -2.390
   36    HA   ILE   5           HA       ILE   5  -4.653  -6.352  -3.377
   37    HB   ILE   5           HB       ILE   5  -7.305  -6.078  -4.798
   38   HG12  ILE   5          HG12      ILE   5  -7.064  -8.333  -3.896
   39   HG13  ILE   5          HG11      ILE   5  -6.823  -8.365  -5.636
   40   HG21  ILE   5          HG21      ILE   5  -5.959  -6.414  -6.831
   41   HG22  ILE   5          HG22      ILE   5  -4.489  -6.447  -5.857
   42   HG23  ILE   5          HG23      ILE   5  -5.446  -4.969  -5.962
   43   HD11  ILE   5          HD11      ILE   5  -4.803  -8.707  -3.436
   44   HD12  ILE   5          HD12      ILE   5  -4.274  -8.101  -5.001
   45   HD13  ILE   5          HD13      ILE   5  -5.051  -9.677  -4.885
   46    H    PHE   6           HN       PHE   6  -7.583  -4.375  -2.921
   47    HA   PHE   6           HA       PHE   6  -6.484  -2.004  -4.067
   48    HB2  PHE   6           HB2      PHE   6  -8.927  -2.416  -3.758
   49    HB3  PHE   6           HB1      PHE   6  -8.700  -2.249  -2.017
   50    HD1  PHE   6           HD1      PHE   6  -8.231  -0.469  -5.263
   51    HD2  PHE   6           HD2      PHE   6  -8.639  -0.108  -1.002
   52    HE1  PHE   6           HE1      PHE   6  -8.395   1.995  -5.488
   53    HE2  PHE   6           HE2      PHE   6  -8.801   2.356  -1.227
   54    HZ   PHE   6           HZ       PHE   6  -8.679   3.408  -3.470
   55    H    ARG   7           HN       ARG   7  -6.842  -3.188  -0.746
   56    HA   ARG   7           HA       ARG   7  -5.673  -0.957   0.539
   57    HB2  ARG   7           HB2      ARG   7  -7.076  -2.680   1.674
   58    HB3  ARG   7           HB1      ARG   7  -5.751  -3.830   1.498
   59    HG2  ARG   7           HG2      ARG   7  -4.277  -2.274   2.784
   60    HG3  ARG   7           HG1      ARG   7  -5.659  -1.206   3.020
   61    HD2  ARG   7           HD2      ARG   7  -5.528  -4.096   3.919
   62    HD3  ARG   7           HD1      ARG   7  -5.280  -2.703   4.968
   63    HE   ARG   7           HE       ARG   7  -7.816  -3.667   3.942
   64   HH11  ARG   7          HH21      ARG   7  -6.011  -1.002   5.213
   65   HH12  ARG   7          HH22      ARG   7  -7.405  -0.167   5.814
   66   HH21  ARG   7          HH11      ARG   7  -9.647  -2.582   4.732
   67   HH22  ARG   7          HH12      ARG   7  -9.463  -1.060   5.542
   68    H    GLY   8           HN       GLY   8  -4.331  -3.967  -0.739
   69    HA2  GLY   8           HA2      GLY   8  -1.763  -3.870   0.331
   70    HA3  GLY   8           HA1      GLY   8  -2.179  -4.595  -1.219
   71    H    ILE   9           HN       ILE   9  -3.165  -2.102  -2.368
   72    HA   ILE   9           HA       ILE   9  -0.751  -1.137  -3.503
   73    HB   ILE   9           HB       ILE   9  -3.549   0.023  -3.469
   74   HG12  ILE   9          HG12      ILE   9  -2.019  -1.324  -5.711
   75   HG13  ILE   9          HG11      ILE   9  -3.084  -2.208  -4.617
   76   HG21  ILE   9          HG21      ILE   9  -2.645   1.319  -5.488
   77   HG22  ILE   9          HG22      ILE   9  -1.035   0.898  -4.906
   78   HG23  ILE   9          HG23      ILE   9  -2.107   1.875  -3.904
   79   HD11  ILE   9          HD11      ILE   9  -4.929  -0.607  -5.250
   80   HD12  ILE   9          HD12      ILE   9  -4.370  -1.623  -6.578
   81   HD13  ILE   9          HD13      ILE   9  -3.850   0.058  -6.477
   82    H    VAL  10           HN       VAL  10  -2.919   0.174  -1.026
   83    HA   VAL  10           HA       VAL  10  -1.547   2.599  -0.592
   84    HB   VAL  10           HB       VAL  10  -3.223   0.957   1.320
   85   HG11  VAL  10          HG11      VAL  10  -3.512   3.302   2.377
   86   HG12  VAL  10          HG12      VAL  10  -2.058   3.742   1.480
   87   HG13  VAL  10          HG13      VAL  10  -1.996   2.455   2.684
   88   HG21  VAL  10          HG21      VAL  10  -4.942   2.705   0.683
   89   HG22  VAL  10          HG22      VAL  10  -4.499   1.606  -0.623
   90   HG23  VAL  10          HG23      VAL  10  -3.834   3.238  -0.582
   91    H    HIS  11           HN       HIS  11  -1.261  -0.554   1.043
   92    HA   HIS  11           HA       HIS  11   0.765   0.251   2.869
   93    HB2  HIS  11           HB2      HIS  11  -0.618  -1.757   3.216
   94    HB3  HIS  11           HB1      HIS  11   0.118  -2.506   1.798
   95    HD2  HIS  11           HD2      HIS  11   1.073  -1.630   5.509
   96    HE1  HIS  11           HE1      HIS  11   4.234  -3.869   3.830
   97    HE2  HIS  11           HE2      HIS  11   3.332  -2.855   5.977
   98    H    VAL  12           HN       VAL  12   0.863  -1.365  -0.276
   99    HA   VAL  12           HA       VAL  12   3.638  -1.805  -0.406
  100    HB   VAL  12           HB       VAL  12   1.583  -1.364  -2.581
  101   HG11  VAL  12          HG11      VAL  12   3.631  -0.751  -3.624
  102   HG12  VAL  12          HG12      VAL  12   3.396  -2.447  -4.049
  103   HG13  VAL  12          HG13      VAL  12   4.533  -2.007  -2.774
  104   HG21  VAL  12          HG21      VAL  12   1.701  -3.465  -0.962
  105   HG22  VAL  12          HG22      VAL  12   3.044  -3.936  -1.998
  106   HG23  VAL  12          HG23      VAL  12   1.441  -3.697  -2.690
  107    H    GLY  13           HN       GLY  13   1.689   0.963  -1.514
  108    HA2  GLY  13           HA2      GLY  13   3.884   2.475  -2.529
  109    HA3  GLY  13           HA1      GLY  13   2.289   3.107  -2.130
  110    H    LYS  14           HN       LYS  14   2.443   2.066   0.598
  111    HA   LYS  14           HA       LYS  14   3.382   4.346   1.922
  112    HB2  LYS  14           HB2      LYS  14   1.784   2.523   2.787
  113    HB3  LYS  14           HB1      LYS  14   3.238   1.639   3.243
  114    HG2  LYS  14           HG2      LYS  14   3.968   3.469   4.671
  115    HG3  LYS  14           HG1      LYS  14   2.642   4.485   4.113
  116    HD2  LYS  14           HD2      LYS  14   1.872   3.671   6.184
  117    HD3  LYS  14           HD1      LYS  14   1.089   2.615   5.011
  118    HE2  LYS  14           HE2      LYS  14   2.082   1.364   6.928
  119    HE3  LYS  14           HE1      LYS  14   2.776   0.887   5.381
  120    HZ1  LYS  14           HZ1      LYS  14   4.728   2.030   5.815
  121    HZ2  LYS  14           HZ2      LYS  14   4.339   1.374   7.331
  122    HZ3  LYS  14           HZ3      LYS  14   4.022   3.011   7.006
  123    H    THR  15           HN       THR  15   4.970   1.204   1.414
  124    HA   THR  15           HA       THR  15   7.302   1.802   2.926
  125    HB   THR  15           HB       THR  15   8.305  -0.086   1.588
  126    HG1  THR  15           HG1      THR  15   7.253  -0.831  -0.077
  127   HG21  THR  15          HG21      THR  15   7.160  -0.585   3.662
  128   HG22  THR  15          HG22      THR  15   6.685  -1.792   2.468
  129   HG23  THR  15          HG23      THR  15   5.587  -0.472   2.872
  130    H    ILE  16           HN       ILE  16   6.413   2.297  -0.447
  131    HA   ILE  16           HA       ILE  16   8.989   3.020  -1.409
  132    HB   ILE  16           HB       ILE  16   6.312   4.017  -2.404
  133   HG12  ILE  16          HG12      ILE  16   6.284   1.586  -2.307
  134   HG13  ILE  16          HG11      ILE  16   6.453   2.085  -3.983
  135   HG21  ILE  16          HG21      ILE  16   8.053   5.283  -3.419
  136   HG22  ILE  16          HG22      ILE  16   7.618   4.044  -4.598
  137   HG23  ILE  16          HG23      ILE  16   9.074   3.858  -3.620
  138   HD11  ILE  16          HD11      ILE  16   8.516   0.872  -2.154
  139   HD12  ILE  16          HD12      ILE  16   9.025   1.842  -3.534
  140   HD13  ILE  16          HD13      ILE  16   8.062   0.389  -3.785
  141    H    HIS  17           HN       HIS  17   6.268   4.996  -0.265
  142    HA   HIS  17           HA       HIS  17   7.457   7.505  -0.538
  143    HB2  HIS  17           HB2      HIS  17   5.075   7.194  -0.001
  144    HB3  HIS  17           HB1      HIS  17   5.513   6.610   1.606
  145    HD2  HIS  17           HD2      HIS  17   5.659   8.643   3.465
  146    HE1  HIS  17           HE1      HIS  17   6.174  11.869   0.791
  147    HE2  HIS  17           HE2      HIS  17   5.888  11.234   3.233
  148    H    ARG  18           HN       ARG  18   7.501   5.305   2.274
  149    HA   ARG  18           HA       ARG  18   9.027   6.976   3.959
  150    HB2  ARG  18           HB2      ARG  18   8.664   3.977   3.862
  151    HB3  ARG  18           HB1      ARG  18   9.589   4.791   5.123
  152    HG2  ARG  18           HG2      ARG  18   7.633   6.106   5.764
  153    HG3  ARG  18           HG1      ARG  18   6.698   5.405   4.442
  154    HD2  ARG  18           HD2      ARG  18   6.151   4.243   6.514
  155    HD3  ARG  18           HD1      ARG  18   7.027   3.150   5.446
  156    HE   ARG  18           HE       ARG  18   8.835   4.504   7.184
  157   HH11  ARG  18          HH21      ARG  18   6.417   2.031   7.066
  158   HH12  ARG  18          HH22      ARG  18   7.084   1.124   8.383
  159   HH21  ARG  18          HH11      ARG  18   9.713   3.321   8.912
  160   HH22  ARG  18          HH12      ARG  18   8.951   1.855   9.427
  161    H    LEU  19           HN       LEU  19   9.979   4.446   1.655
  162    HA   LEU  19           HA       LEU  19  12.736   4.469   2.241
  163    HB2  LEU  19           HB2      LEU  19  11.694   2.672   0.944
  164    HB3  LEU  19           HB1      LEU  19  11.314   3.803  -0.350
  165    HG   LEU  19           HG       LEU  19  13.705   4.200  -0.744
  166   HD11  LEU  19          HD11      LEU  19  15.267   2.476   0.494
  167   HD12  LEU  19          HD12      LEU  19  13.986   2.469   1.706
  168   HD13  LEU  19          HD13      LEU  19  14.811   3.973   1.305
  169   HD21  LEU  19          HD21      LEU  19  14.205   2.084  -1.752
  170   HD22  LEU  19          HD22      LEU  19  12.449   2.243  -1.783
  171   HD23  LEU  19          HD23      LEU  19  13.219   1.215  -0.575
  172    H    VAL  20           HN       VAL  20  10.828   6.286  -0.149
  173    HA   VAL  20           HA       VAL  20  13.007   7.628  -1.350
  174    HB   VAL  20           HB       VAL  20  10.090   8.401  -1.115
  175   HG11  VAL  20          HG11      VAL  20  11.293  10.424  -1.573
  176   HG12  VAL  20          HG12      VAL  20  10.678   9.857  -3.126
  177   HG13  VAL  20          HG13      VAL  20  12.372   9.603  -2.702
  178   HG21  VAL  20          HG21      VAL  20  10.826   6.263  -2.357
  179   HG22  VAL  20          HG22      VAL  20  11.597   7.343  -3.517
  180   HG23  VAL  20          HG23      VAL  20   9.851   7.415  -3.269
  181    H    THR  21           HN       THR  21  10.856   8.540   1.337
  182    HA   THR  21           HA       THR  21  12.031  11.100   1.750
  183    HB   THR  21           HB       THR  21  10.873  10.960   3.976
  184    HG1  THR  21           HG1      THR  21   9.381   9.022   3.926
  185   HG21  THR  21          HG21      THR  21   9.638  11.887   2.149
  186   HG22  THR  21          HG22      THR  21   8.559  10.731   2.931
  187   HG23  THR  21          HG23      THR  21   9.380  10.296   1.431
  188    H    GLY  22           HN       GLY  22  14.248  10.949   1.894
  189    HA2  GLY  22           HA2      GLY  22  15.362  10.427   4.442
  190    HA3  GLY  22           HA1      GLY  22  15.733   9.086   3.362
  191    HN1  NH2  23           HT1      GLY  22  17.039  12.267   1.289
  192    HN2  NH2  23           HT2      GLY  22  15.391  11.742   1.380
  Start of MODEL    5
    1    H1   PHE   1           HT1      PHE   1 -13.069  -9.972  -3.001
    2    H2   PHE   1           HT2      PHE   1 -13.026  -8.300  -3.309
    3    H3   PHE   1           HT3      PHE   1 -12.547  -8.900  -1.794
    4    HA   PHE   1           HA       PHE   1 -10.596  -9.846  -2.638
    5    HB2  PHE   1           HB2      PHE   1 -11.732  -9.202  -5.378
    6    HB3  PHE   1           HB1      PHE   1 -10.150  -9.918  -5.069
    7    HD1  PHE   1           HD2      PHE   1 -10.052 -12.118  -3.753
    8    HD2  PHE   1           HD1      PHE   1 -13.663 -10.570  -5.489
    9    HE1  PHE   1           HE2      PHE   1 -11.087 -14.368  -3.609
   10    HE2  PHE   1           HE1      PHE   1 -14.698 -12.820  -5.346
   11    HZ   PHE   1           HZ       PHE   1 -13.409 -14.718  -4.407
   12    H    PHE   2           HN       PHE   2 -12.033  -7.069  -4.404
   13    HA   PHE   2           HA       PHE   2  -9.818  -5.521  -4.736
   14    HB2  PHE   2           HB2      PHE   2 -12.590  -4.580  -3.977
   15    HB3  PHE   2           HB1      PHE   2 -11.338  -3.583  -4.717
   16    HD1  PHE   2           HD2      PHE   2 -10.479  -4.166  -7.017
   17    HD2  PHE   2           HD1      PHE   2 -13.902  -6.088  -5.275
   18    HE1  PHE   2           HE2      PHE   2 -11.171  -4.968  -9.260
   19    HE2  PHE   2           HE1      PHE   2 -14.594  -6.890  -7.516
   20    HZ   PHE   2           HZ       PHE   2 -13.229  -6.330  -9.509
   21    H    HIS   3           HN       HIS   3 -11.667  -5.900  -1.723
   22    HA   HIS   3           HA       HIS   3 -10.623  -3.737  -0.307
   23    HB2  HIS   3           HB2      HIS   3 -11.380  -6.491   0.693
   24    HB3  HIS   3           HB1      HIS   3 -11.167  -5.068   1.713
   25    HD2  HIS   3           HD2      HIS   3 -13.956  -6.755  -0.257
   26    HE1  HIS   3           HE1      HIS   3 -15.216  -2.765   0.302
   27    HE2  HIS   3           HE2      HIS   3 -15.955  -5.083  -0.427
   28    H    HIS   4           HN       HIS   4  -9.451  -7.118  -0.310
   29    HA   HIS   4           HA       HIS   4  -7.095  -6.496   1.184
   30    HB2  HIS   4           HB2      HIS   4  -7.832  -8.921  -0.467
   31    HB3  HIS   4           HB1      HIS   4  -6.404  -8.811   0.562
   32    HD2  HIS   4           HD2      HIS   4 -10.110  -9.713   0.895
   33    HE1  HIS   4           HE1      HIS   4  -8.721  -9.012   4.818
   34    HE2  HIS   4           HE2      HIS   4 -10.646  -9.928   3.441
   35    H    ILE   5           HN       ILE   5  -7.740  -7.090  -2.244
   36    HA   ILE   5           HA       ILE   5  -5.061  -6.967  -3.136
   37    HB   ILE   5           HB       ILE   5  -7.661  -6.401  -4.573
   38   HG12  ILE   5          HG12      ILE   5  -5.814  -8.800  -4.735
   39   HG13  ILE   5          HG11      ILE   5  -7.207  -8.729  -3.655
   40   HG21  ILE   5          HG21      ILE   5  -6.214  -6.847  -6.635
   41   HG22  ILE   5          HG22      ILE   5  -4.817  -6.606  -5.590
   42   HG23  ILE   5          HG23      ILE   5  -5.963  -5.291  -5.847
   43   HD11  ILE   5          HD11      ILE   5  -8.643  -8.227  -5.663
   44   HD12  ILE   5          HD12      ILE   5  -7.908  -9.830  -5.693
   45   HD13  ILE   5          HD13      ILE   5  -7.234  -8.532  -6.679
   46    H    PHE   6           HN       PHE   6  -7.563  -4.453  -2.861
   47    HA   PHE   6           HA       PHE   6  -5.968  -2.381  -4.008
   48    HB2  PHE   6           HB2      PHE   6  -8.468  -2.342  -3.854
   49    HB3  PHE   6           HB1      PHE   6  -8.312  -2.084  -2.117
   50    HD1  PHE   6           HD1      PHE   6  -7.179  -0.708  -5.408
   51    HD2  PHE   6           HD2      PHE   6  -8.054   0.107  -1.282
   52    HE1  PHE   6           HE1      PHE   6  -6.851   1.716  -5.818
   53    HE2  PHE   6           HE2      PHE   6  -7.728   2.531  -1.692
   54    HZ   PHE   6           HZ       PHE   6  -7.125   3.336  -3.959
   55    H    ARG   7           HN       ARG   7  -6.667  -3.414  -0.695
   56    HA   ARG   7           HA       ARG   7  -5.332  -1.347   0.647
   57    HB2  ARG   7           HB2      ARG   7  -6.865  -2.976   1.738
   58    HB3  ARG   7           HB1      ARG   7  -5.641  -4.223   1.539
   59    HG2  ARG   7           HG2      ARG   7  -5.486  -3.326   3.796
   60    HG3  ARG   7           HG1      ARG   7  -4.053  -2.853   2.893
   61    HD2  ARG   7           HD2      ARG   7  -5.321  -1.065   4.340
   62    HD3  ARG   7           HD1      ARG   7  -4.719  -0.615   2.752
   63    HE   ARG   7           HE       ARG   7  -6.925  -0.439   2.016
   64   HH11  ARG   7          HH21      ARG   7  -6.725  -2.039   5.077
   65   HH12  ARG   7          HH22      ARG   7  -8.438  -2.042   5.343
   66   HH21  ARG   7          HH11      ARG   7  -9.170  -0.447   2.352
   67   HH22  ARG   7          HH12      ARG   7  -9.822  -1.142   3.800
   68    H    GLY   8           HN       GLY   8  -4.135  -4.427  -0.646
   69    HA2  GLY   8           HA2      GLY   8  -1.524  -4.200   0.483
   70    HA3  GLY   8           HA1      GLY   8  -1.999  -5.267  -0.835
   71    H    ILE   9           HN       ILE   9  -2.962  -3.262  -2.615
   72    HA   ILE   9           HA       ILE   9  -0.551  -2.558  -3.923
   73    HB   ILE   9           HB       ILE   9  -3.395  -1.614  -4.314
   74   HG12  ILE   9          HG12      ILE   9  -2.558  -4.077  -4.771
   75   HG13  ILE   9          HG11      ILE   9  -3.576  -3.269  -5.957
   76   HG21  ILE   9          HG21      ILE   9  -2.143   0.150  -5.242
   77   HG22  ILE   9          HG22      ILE   9  -2.450  -0.906  -6.619
   78   HG23  ILE   9          HG23      ILE   9  -0.876  -0.930  -5.825
   79   HD11  ILE   9          HD11      ILE   9  -1.442  -4.487  -6.800
   80   HD12  ILE   9          HD12      ILE   9  -0.566  -3.100  -6.159
   81   HD13  ILE   9          HD13      ILE   9  -1.777  -2.871  -7.419
   82    H    VAL  10           HN       VAL  10  -2.924  -0.491  -2.241
   83    HA   VAL  10           HA       VAL  10  -1.459   1.906  -2.503
   84    HB   VAL  10           HB       VAL  10  -3.853   1.839  -1.905
   85   HG11  VAL  10          HG11      VAL  10  -3.624  -0.133  -0.378
   86   HG12  VAL  10          HG12      VAL  10  -4.554   1.190   0.318
   87   HG13  VAL  10          HG13      VAL  10  -2.882   0.929   0.816
   88   HG21  VAL  10          HG21      VAL  10  -3.787   3.657  -0.327
   89   HG22  VAL  10          HG22      VAL  10  -2.337   3.791  -1.321
   90   HG23  VAL  10          HG23      VAL  10  -2.230   3.126   0.309
   91    H    HIS  11           HN       HIS  11  -1.332  -0.676  -0.122
   92    HA   HIS  11           HA       HIS  11   0.228   0.688   1.824
   93    HB2  HIS  11           HB2      HIS  11  -0.438  -2.166   1.199
   94    HB3  HIS  11           HB1      HIS  11   0.944  -1.876   2.255
   95    HD2  HIS  11           HD2      HIS  11  -0.462  -2.661   4.606
   96    HE1  HIS  11           HE1      HIS  11  -3.332   0.430   4.446
   97    HE2  HIS  11           HE2      HIS  11  -2.389  -1.442   5.879
   98    H    VAL  12           HN       VAL  12   1.139  -1.521  -0.814
   99    HA   VAL  12           HA       VAL  12   3.863  -1.627  -0.518
  100    HB   VAL  12           HB       VAL  12   2.221  -1.422  -3.049
  101   HG11  VAL  12          HG11      VAL  12   5.202  -1.776  -2.690
  102   HG12  VAL  12          HG12      VAL  12   4.356  -0.661  -3.763
  103   HG13  VAL  12          HG13      VAL  12   4.365  -2.388  -4.117
  104   HG21  VAL  12          HG21      VAL  12   2.454  -3.785  -3.126
  105   HG22  VAL  12          HG22      VAL  12   2.118  -3.434  -1.432
  106   HG23  VAL  12          HG23      VAL  12   3.766  -3.779  -1.947
  107    H    GLY  13           HN       GLY  13   1.939   1.104  -1.532
  108    HA2  GLY  13           HA2      GLY  13   4.125   2.681  -2.532
  109    HA3  GLY  13           HA1      GLY  13   2.506   3.263  -2.156
  110    H    LYS  14           HN       LYS  14   2.512   2.268   0.552
  111    HA   LYS  14           HA       LYS  14   3.569   4.518   1.890
  112    HB2  LYS  14           HB2      LYS  14   2.681   1.828   2.944
  113    HB3  LYS  14           HB1      LYS  14   3.150   3.171   3.982
  114    HG2  LYS  14           HG2      LYS  14   1.408   4.583   2.939
  115    HG3  LYS  14           HG1      LYS  14   0.927   3.225   1.919
  116    HD2  LYS  14           HD2      LYS  14   0.323   1.910   3.885
  117    HD3  LYS  14           HD1      LYS  14   0.897   3.193   4.950
  118    HE2  LYS  14           HE2      LYS  14  -1.542   3.317   4.731
  119    HE3  LYS  14           HE1      LYS  14  -0.795   4.731   3.987
  120    HZ1  LYS  14           HZ1      LYS  14  -1.100   3.835   1.849
  121    HZ2  LYS  14           HZ2      LYS  14  -2.578   3.599   2.655
  122    HZ3  LYS  14           HZ3      LYS  14  -1.501   2.300   2.450
  123    H    THR  15           HN       THR  15   4.804   1.192   1.603
  124    HA   THR  15           HA       THR  15   7.103   1.632   3.232
  125    HB   THR  15           HB       THR  15   7.930  -0.471   2.071
  126    HG1  THR  15           HG1      THR  15   6.936  -0.542   0.176
  127   HG21  THR  15          HG21      THR  15   6.745  -0.640   4.169
  128   HG22  THR  15          HG22      THR  15   6.114  -1.885   3.092
  129   HG23  THR  15          HG23      THR  15   5.194  -0.405   3.363
  130    H    ILE  16           HN       ILE  16   6.533   1.691  -0.252
  131    HA   ILE  16           HA       ILE  16   9.219   2.175  -1.038
  132    HB   ILE  16           HB       ILE  16   6.598   2.802  -2.417
  133   HG12  ILE  16          HG12      ILE  16   8.671   0.664  -2.991
  134   HG13  ILE  16          HG11      ILE  16   7.268   0.386  -1.962
  135   HG21  ILE  16          HG21      ILE  16   8.195   4.291  -3.387
  136   HG22  ILE  16          HG22      ILE  16   8.132   2.903  -4.473
  137   HG23  ILE  16          HG23      ILE  16   9.468   3.074  -3.336
  138   HD11  ILE  16          HD11      ILE  16   7.281   1.124  -4.897
  139   HD12  ILE  16          HD12      ILE  16   5.826   1.177  -3.902
  140   HD13  ILE  16          HD13      ILE  16   6.660  -0.355  -4.164
  141    H    HIS  17           HN       HIS  17   6.505   4.346  -0.353
  142    HA   HIS  17           HA       HIS  17   7.736   6.773  -1.030
  143    HB2  HIS  17           HB2      HIS  17   5.304   6.457  -0.525
  144    HB3  HIS  17           HB1      HIS  17   5.722   6.337   1.185
  145    HD2  HIS  17           HD2      HIS  17   5.146   9.069  -1.484
  146    HE1  HIS  17           HE1      HIS  17   6.749  11.002   1.909
  147    HE2  HIS  17           HE2      HIS  17   5.656  11.368  -0.355
  148    H    ARG  18           HN       ARG  18   7.914   4.819   1.884
  149    HA   ARG  18           HA       ARG  18   9.026   6.660   3.661
  150    HB2  ARG  18           HB2      ARG  18   8.283   4.286   4.173
  151    HB3  ARG  18           HB1      ARG  18   9.811   3.746   3.482
  152    HG2  ARG  18           HG2      ARG  18  10.395   3.906   5.734
  153    HG3  ARG  18           HG1      ARG  18  10.862   5.505   5.165
  154    HD2  ARG  18           HD2      ARG  18   8.738   6.438   5.957
  155    HD3  ARG  18           HD1      ARG  18   8.192   4.834   6.441
  156    HE   ARG  18           HE       ARG  18   9.558   4.979   8.324
  157   HH11  ARG  18          HH21      ARG  18  10.268   7.482   6.044
  158   HH12  ARG  18          HH22      ARG  18  11.282   8.373   7.130
  159   HH21  ARG  18          HH11      ARG  18  10.881   6.143   9.755
  160   HH22  ARG  18          HH12      ARG  18  11.628   7.615   9.230
  161    H    LEU  19           HN       LEU  19  10.647   4.564   1.283
  162    HA   LEU  19           HA       LEU  19  13.297   5.268   1.944
  163    HB2  LEU  19           HB2      LEU  19  11.980   4.197  -0.545
  164    HB3  LEU  19           HB1      LEU  19  13.688   4.641  -0.570
  165    HG   LEU  19           HG       LEU  19  14.086   3.131   1.365
  166   HD11  LEU  19          HD11      LEU  19  12.153   1.442   1.761
  167   HD12  LEU  19          HD12      LEU  19  11.124   2.670   1.023
  168   HD13  LEU  19          HD13      LEU  19  12.016   3.039   2.499
  169   HD21  LEU  19          HD21      LEU  19  12.665   1.743  -0.931
  170   HD22  LEU  19          HD22      LEU  19  13.914   1.055   0.106
  171   HD23  LEU  19          HD23      LEU  19  14.316   2.359  -1.013
  172    H    VAL  20           HN       VAL  20  10.986   6.700  -0.342
  173    HA   VAL  20           HA       VAL  20  12.736   8.606  -1.468
  174    HB   VAL  20           HB       VAL  20   9.731   8.674  -1.085
  175   HG11  VAL  20          HG11      VAL  20  10.458  10.940  -1.438
  176   HG12  VAL  20          HG12      VAL  20   9.869  10.347  -2.990
  177   HG13  VAL  20          HG13      VAL  20  11.602  10.440  -2.683
  178   HG21  VAL  20          HG21      VAL  20  10.553   6.813  -2.470
  179   HG22  VAL  20          HG22      VAL  20  11.493   7.942  -3.446
  180   HG23  VAL  20          HG23      VAL  20   9.731   8.008  -3.474
  181    H    THR  21           HN       THR  21  10.535   8.776   1.320
  182    HA   THR  21           HA       THR  21  11.155  11.495   1.944
  183    HB   THR  21           HB       THR  21  10.108   9.506   3.954
  184    HG1  THR  21           HG1      THR  21   9.083   9.295   1.830
  185   HG21  THR  21          HG21      THR  21   9.519  12.417   3.340
  186   HG22  THR  21          HG22      THR  21  10.463  11.810   4.701
  187   HG23  THR  21          HG23      THR  21   8.735  11.473   4.605
  188    H    GLY  22           HN       GLY  22  13.099   8.887   1.999
  189    HA2  GLY  22           HA2      GLY  22  14.319   9.009   4.569
  190    HA3  GLY  22           HA1      GLY  22  15.025   8.295   3.122
  191    HN1  NH2  23           HT1      GLY  22  15.618  12.222   2.536
  192    HN2  NH2  23           HT2      GLY  22  14.135  11.379   2.233
  Start of MODEL    6
    1    H1   PHE   1           HT1      PHE   1 -12.486  -9.616  -4.250
    2    H2   PHE   1           HT2      PHE   1 -12.554  -8.607  -2.887
    3    H3   PHE   1           HT3      PHE   1 -12.241 -10.266  -2.704
    4    HA   PHE   1           HA       PHE   1 -10.122  -9.569  -2.559
    5    HB2  PHE   1           HB2      PHE   1 -10.571  -9.433  -5.561
    6    HB3  PHE   1           HB1      PHE   1  -9.020  -9.685  -4.759
    7    HD1  PHE   1           HD1      PHE   1  -8.729 -11.728  -3.265
    8    HD2  PHE   1           HD2      PHE   1 -12.059 -11.245  -5.935
    9    HE1  PHE   1           HE1      PHE   1  -9.187 -14.161  -3.134
   10    HE2  PHE   1           HE2      PHE   1 -12.517 -13.677  -5.805
   11    HZ   PHE   1           HZ       PHE   1 -11.082 -15.137  -4.404
   12    H    PHE   2           HN       PHE   2 -12.094  -7.373  -4.517
   13    HA   PHE   2           HA       PHE   2 -10.459  -5.270  -4.960
   14    HB2  PHE   2           HB2      PHE   2 -13.319  -5.211  -4.002
   15    HB3  PHE   2           HB1      PHE   2 -12.472  -3.820  -4.676
   16    HD1  PHE   2           HD1      PHE   2 -11.734  -3.813  -7.039
   17    HD2  PHE   2           HD2      PHE   2 -14.029  -7.054  -5.398
   18    HE1  PHE   2           HE1      PHE   2 -12.249  -4.609  -9.331
   19    HE2  PHE   2           HE2      PHE   2 -14.543  -7.849  -7.691
   20    HZ   PHE   2           HZ       PHE   2 -13.654  -6.626  -9.657
   21    H    HIS   3           HN       HIS   3 -11.856  -6.155  -1.821
   22    HA   HIS   3           HA       HIS   3 -11.112  -3.733  -0.490
   23    HB2  HIS   3           HB2      HIS   3 -12.868  -5.185   0.375
   24    HB3  HIS   3           HB1      HIS   3 -11.709  -6.497   0.583
   25    HD2  HIS   3           HD2      HIS   3 -10.848  -6.573   3.188
   26    HE1  HIS   3           HE1      HIS   3 -11.121  -2.449   4.059
   27    HE2  HIS   3           HE2      HIS   3 -10.511  -4.726   5.004
   28    H    HIS   4           HN       HIS   4  -9.704  -7.029  -0.353
   29    HA   HIS   4           HA       HIS   4  -7.414  -6.198   1.140
   30    HB2  HIS   4           HB2      HIS   4  -8.042  -8.708  -0.410
   31    HB3  HIS   4           HB1      HIS   4  -6.560  -8.490   0.521
   32    HD2  HIS   4           HD2      HIS   4  -6.892  -8.621   3.328
   33    HE1  HIS   4           HE1      HIS   4 -11.042  -9.391   3.276
   34    HE2  HIS   4           HE2      HIS   4  -8.978  -9.285   4.752
   35    H    ILE   5           HN       ILE   5  -7.785  -7.186  -2.259
   36    HA   ILE   5           HA       ILE   5  -5.155  -6.894  -3.088
   37    HB   ILE   5           HB       ILE   5  -7.207  -7.752  -4.405
   38   HG12  ILE   5          HG12      ILE   5  -6.113  -7.066  -6.595
   39   HG13  ILE   5          HG11      ILE   5  -5.054  -6.016  -5.659
   40   HG21  ILE   5          HG21      ILE   5  -8.324  -5.434  -4.134
   41   HG22  ILE   5          HG22      ILE   5  -8.446  -6.228  -5.703
   42   HG23  ILE   5          HG23      ILE   5  -7.282  -4.926  -5.457
   43   HD11  ILE   5          HD11      ILE   5  -4.456  -8.603  -6.277
   44   HD12  ILE   5          HD12      ILE   5  -5.190  -8.827  -4.691
   45   HD13  ILE   5          HD13      ILE   5  -3.802  -7.756  -4.881
   46    H    PHE   6           HN       PHE   6  -7.635  -4.390  -2.748
   47    HA   PHE   6           HA       PHE   6  -6.131  -2.292  -3.958
   48    HB2  PHE   6           HB2      PHE   6  -8.547  -2.145  -3.775
   49    HB3  PHE   6           HB1      PHE   6  -8.449  -2.202  -2.016
   50    HD1  PHE   6           HD1      PHE   6  -7.265  -0.233  -4.972
   51    HD2  PHE   6           HD2      PHE   6  -8.194  -0.213  -0.780
   52    HE1  PHE   6           HE1      PHE   6  -6.941   2.225  -4.913
   53    HE2  PHE   6           HE2      PHE   6  -7.871   2.244  -0.719
   54    HZ   PHE   6           HZ       PHE   6  -7.244   3.464  -2.786
   55    H    ARG   7           HN       ARG   7  -6.570  -3.381  -0.632
   56    HA   ARG   7           HA       ARG   7  -5.192  -1.284   0.645
   57    HB2  ARG   7           HB2      ARG   7  -6.647  -2.915   1.819
   58    HB3  ARG   7           HB1      ARG   7  -5.432  -4.163   1.544
   59    HG2  ARG   7           HG2      ARG   7  -3.784  -2.902   2.831
   60    HG3  ARG   7           HG1      ARG   7  -4.925  -1.572   3.034
   61    HD2  ARG   7           HD2      ARG   7  -5.436  -4.391   4.011
   62    HD3  ARG   7           HD1      ARG   7  -4.783  -3.106   5.024
   63    HE   ARG   7           HE       ARG   7  -7.087  -2.050   3.949
   64   HH11  ARG   7          HH21      ARG   7  -6.214  -4.861   5.768
   65   HH12  ARG   7          HH22      ARG   7  -7.738  -4.976   6.582
   66   HH21  ARG   7          HH11      ARG   7  -9.089  -2.195   5.012
   67   HH22  ARG   7          HH12      ARG   7  -9.366  -3.469   6.153
   68    H    GLY   8           HN       GLY   8  -4.051  -4.294  -0.814
   69    HA2  GLY   8           HA2      GLY   8  -1.474  -4.456   0.201
   70    HA3  GLY   8           HA1      GLY   8  -1.944  -4.978  -1.412
   71    H    ILE   9           HN       ILE   9  -2.753  -2.346  -2.308
   72    HA   ILE   9           HA       ILE   9  -0.271  -1.405  -3.321
   73    HB   ILE   9           HB       ILE   9  -3.037  -0.182  -3.319
   74   HG12  ILE   9          HG12      ILE   9  -2.866  -0.775  -5.758
   75   HG13  ILE   9          HG11      ILE   9  -1.332  -1.567  -5.417
   76   HG21  ILE   9          HG21      ILE   9  -1.997   1.284  -5.164
   77   HG22  ILE   9          HG22      ILE   9  -0.438   0.827  -4.477
   78   HG23  ILE   9          HG23      ILE   9  -1.613   1.699  -3.493
   79   HD11  ILE   9          HD11      ILE   9  -2.335  -3.287  -4.203
   80   HD12  ILE   9          HD12      ILE   9  -3.543  -2.984  -5.448
   81   HD13  ILE   9          HD13      ILE   9  -3.766  -2.330  -3.830
   82    H    VAL  10           HN       VAL  10  -2.410  -0.235  -0.751
   83    HA   VAL  10           HA       VAL  10  -1.068   2.148  -0.153
   84    HB   VAL  10           HB       VAL  10  -2.595   0.281   1.675
   85   HG11  VAL  10          HG11      VAL  10  -1.274   1.696   3.080
   86   HG12  VAL  10          HG12      VAL  10  -2.877   2.431   3.027
   87   HG13  VAL  10          HG13      VAL  10  -1.567   3.101   2.054
   88   HG21  VAL  10          HG21      VAL  10  -4.496   1.629   1.191
   89   HG22  VAL  10          HG22      VAL  10  -3.738   1.340  -0.375
   90   HG23  VAL  10          HG23      VAL  10  -3.512   2.887   0.443
   91    H    HIS  11           HN       HIS  11  -0.595  -1.126   1.194
   92    HA   HIS  11           HA       HIS  11   1.442  -0.434   3.028
   93    HB2  HIS  11           HB2      HIS  11   0.802  -3.030   1.618
   94    HB3  HIS  11           HB1      HIS  11   2.040  -2.885   2.866
   95    HD2  HIS  11           HD2      HIS  11  -1.592  -3.772   2.754
   96    HE1  HIS  11           HE1      HIS  11  -1.084  -1.945   6.526
   97    HE2  HIS  11           HE2      HIS  11  -2.651  -3.347   5.102
   98    H    VAL  12           HN       VAL  12   1.594  -1.675  -0.280
   99    HA   VAL  12           HA       VAL  12   4.402  -1.770  -0.510
  100    HB   VAL  12           HB       VAL  12   2.297  -1.336  -2.643
  101   HG11  VAL  12          HG11      VAL  12   5.268  -1.887  -2.816
  102   HG12  VAL  12          HG12      VAL  12   4.371  -0.565  -3.562
  103   HG13  VAL  12          HG13      VAL  12   4.162  -2.215  -4.150
  104   HG21  VAL  12          HG21      VAL  12   2.448  -3.699  -2.994
  105   HG22  VAL  12          HG22      VAL  12   2.304  -3.482  -1.251
  106   HG23  VAL  12          HG23      VAL  12   3.876  -3.831  -1.966
  107    H    GLY  13           HN       GLY  13   2.092   0.804  -1.337
  108    HA2  GLY  13           HA2      GLY  13   4.054   2.646  -2.275
  109    HA3  GLY  13           HA1      GLY  13   2.400   3.041  -1.814
  110    H    LYS  14           HN       LYS  14   2.677   1.937   0.867
  111    HA   LYS  14           HA       LYS  14   3.494   4.248   2.253
  112    HB2  LYS  14           HB2      LYS  14   1.916   2.551   3.162
  113    HB3  LYS  14           HB1      LYS  14   3.268   1.438   3.355
  114    HG2  LYS  14           HG2      LYS  14   4.376   3.033   4.873
  115    HG3  LYS  14           HG1      LYS  14   3.042   4.167   4.660
  116    HD2  LYS  14           HD2      LYS  14   1.478   2.500   5.604
  117    HD3  LYS  14           HD1      LYS  14   2.822   1.379   5.830
  118    HE2  LYS  14           HE2      LYS  14   3.921   2.980   7.339
  119    HE3  LYS  14           HE1      LYS  14   2.599   4.124   7.103
  120    HZ1  LYS  14           HZ1      LYS  14   1.085   2.377   7.962
  121    HZ2  LYS  14           HZ2      LYS  14   2.205   2.938   9.109
  122    HZ3  LYS  14           HZ3      LYS  14   2.442   1.436   8.351
  123    H    THR  15           HN       THR  15   5.147   1.135   1.749
  124    HA   THR  15           HA       THR  15   7.471   1.855   3.249
  125    HB   THR  15           HB       THR  15   8.478  -0.133   2.068
  126    HG1  THR  15           HG1      THR  15   7.502  -0.494   0.239
  127   HG21  THR  15          HG21      THR  15   7.313  -0.394   4.200
  128   HG22  THR  15          HG22      THR  15   6.939  -1.761   3.151
  129   HG23  THR  15          HG23      THR  15   5.760  -0.466   3.368
  130    H    ILE  16           HN       ILE  16   6.617   1.931  -0.183
  131    HA   ILE  16           HA       ILE  16   9.179   2.697  -1.141
  132    HB   ILE  16           HB       ILE  16   6.410   3.074  -2.303
  133   HG12  ILE  16          HG12      ILE  16   8.639   1.173  -3.090
  134   HG13  ILE  16          HG11      ILE  16   7.353   0.733  -1.969
  135   HG21  ILE  16          HG21      ILE  16   7.704   4.733  -3.388
  136   HG22  ILE  16          HG22      ILE  16   7.812   3.347  -4.471
  137   HG23  ILE  16          HG23      ILE  16   9.153   3.729  -3.390
  138   HD11  ILE  16          HD11      ILE  16   5.691   1.394  -3.764
  139   HD12  ILE  16          HD12      ILE  16   6.673  -0.016  -4.157
  140   HD13  ILE  16          HD13      ILE  16   7.056   1.551  -4.870
  141    H    HIS  17           HN       HIS  17   6.303   4.564  -0.220
  142    HA   HIS  17           HA       HIS  17   7.295   7.112  -0.902
  143    HB2  HIS  17           HB2      HIS  17   5.243   6.229   1.135
  144    HB3  HIS  17           HB1      HIS  17   5.584   7.923   0.776
  145    HD2  HIS  17           HD2      HIS  17   3.079   8.282  -0.552
  146    HE1  HIS  17           HE1      HIS  17   3.900   5.608  -3.715
  147    HE2  HIS  17           HE2      HIS  17   2.297   7.393  -2.880
  148    H    ARG  18           HN       ARG  18   7.541   5.195   2.055
  149    HA   ARG  18           HA       ARG  18   8.709   7.196   3.682
  150    HB2  ARG  18           HB2      ARG  18   8.801   4.175   3.784
  151    HB3  ARG  18           HB1      ARG  18   9.551   5.194   5.010
  152    HG2  ARG  18           HG2      ARG  18   6.677   5.718   4.284
  153    HG3  ARG  18           HG1      ARG  18   7.043   4.328   5.302
  154    HD2  ARG  18           HD2      ARG  18   8.011   7.138   5.899
  155    HD3  ARG  18           HD1      ARG  18   6.539   6.447   6.577
  156    HE   ARG  18           HE       ARG  18   8.661   4.669   7.077
  157   HH11  ARG  18          HH21      ARG  18   7.569   7.846   7.903
  158   HH12  ARG  18          HH22      ARG  18   8.307   7.842   9.470
  159   HH21  ARG  18          HH11      ARG  18   9.632   4.657   9.130
  160   HH22  ARG  18          HH12      ARG  18   9.476   6.036  10.164
  161    H    LEU  19           HN       LEU  19  10.113   4.716   1.568
  162    HA   LEU  19           HA       LEU  19  12.817   5.192   2.227
  163    HB2  LEU  19           HB2      LEU  19  12.105   3.196   0.994
  164    HB3  LEU  19           HB1      LEU  19  11.613   4.194  -0.372
  165    HG   LEU  19           HG       LEU  19  13.951   4.953  -0.660
  166   HD11  LEU  19          HD11      LEU  19  14.995   4.911   1.421
  167   HD12  LEU  19          HD12      LEU  19  15.656   3.446   0.697
  168   HD13  LEU  19          HD13      LEU  19  14.325   3.337   1.851
  169   HD21  LEU  19          HD21      LEU  19  13.036   2.817  -1.721
  170   HD22  LEU  19          HD22      LEU  19  13.899   1.932  -0.461
  171   HD23  LEU  19          HD23      LEU  19  14.791   2.932  -1.605
  172    H    VAL  20           HN       VAL  20  10.729   6.579  -0.298
  173    HA   VAL  20           HA       VAL  20  12.697   8.165  -1.539
  174    HB   VAL  20           HB       VAL  20   9.706   8.573  -1.320
  175   HG11  VAL  20          HG11      VAL  20  10.133   9.938  -3.445
  176   HG12  VAL  20          HG12      VAL  20  11.833   9.939  -2.979
  177   HG13  VAL  20          HG13      VAL  20  10.630  10.687  -1.927
  178   HG21  VAL  20          HG21      VAL  20  10.650   6.459  -2.422
  179   HG22  VAL  20          HG22      VAL  20  11.333   7.528  -3.647
  180   HG23  VAL  20          HG23      VAL  20   9.585   7.448  -3.423
  181    H    THR  21           HN       THR  21  10.401   8.910   1.076
  182    HA   THR  21           HA       THR  21  11.187  11.620   1.389
  183    HB   THR  21           HB       THR  21  10.105  11.349   3.670
  184    HG1  THR  21           HG1      THR  21  10.291   8.745   2.818
  185   HG21  THR  21          HG21      THR  21   8.530  10.358   1.278
  186   HG22  THR  21          HG22      THR  21   8.870  12.053   1.631
  187   HG23  THR  21          HG23      THR  21   7.861  11.109   2.726
  188    H    GLY  22           HN       GLY  22  13.379  11.887   1.563
  189    HA2  GLY  22           HA2      GLY  22  15.096  10.294   3.166
  190    HA3  GLY  22           HA1      GLY  22  15.472  11.892   2.529
  191    HN1  NH2  23           HT1      GLY  22  13.178  12.739   5.712
  192    HN2  NH2  23           HT2      GLY  22  12.590  12.255   4.158
  Start of MODEL    7
    1    H1   PHE   1           HT1      PHE   1 -11.868  -8.735   0.268
    2    H2   PHE   1           HT2      PHE   1 -12.352 -10.350   0.479
    3    H3   PHE   1           HT3      PHE   1 -12.989  -9.430  -0.799
    4    HA   PHE   1           HA       PHE   1 -10.188 -10.363  -0.490
    5    HB2  PHE   1           HB2      PHE   1 -11.734 -12.079  -1.297
    6    HB3  PHE   1           HB1      PHE   1 -12.374 -10.966  -2.505
    7    HD1  PHE   1           HD1      PHE   1  -9.205 -12.604  -1.374
    8    HD2  PHE   1           HD2      PHE   1 -11.349 -10.788  -4.625
    9    HE1  PHE   1           HE1      PHE   1  -7.398 -13.266  -2.937
   10    HE2  PHE   1           HE2      PHE   1  -9.541 -11.451  -6.187
   11    HZ   PHE   1           HZ       PHE   1  -7.565 -12.691  -5.343
   12    H    PHE   2           HN       PHE   2 -12.501  -8.312  -2.173
   13    HA   PHE   2           HA       PHE   2 -10.641  -7.330  -4.126
   14    HB2  PHE   2           HB2      PHE   2 -13.306  -6.261  -3.168
   15    HB3  PHE   2           HB1      PHE   2 -12.389  -5.576  -4.509
   16    HD1  PHE   2           HD1      PHE   2 -12.019  -6.871  -6.584
   17    HD2  PHE   2           HD2      PHE   2 -14.429  -8.397  -3.372
   18    HE1  PHE   2           HE1      PHE   2 -12.956  -8.592  -8.104
   19    HE2  PHE   2           HE2      PHE   2 -15.366 -10.118  -4.892
   20    HZ   PHE   2           HZ       PHE   2 -14.629 -10.214  -7.258
   21    H    HIS   3           HN       HIS   3 -12.112  -5.862  -1.247
   22    HA   HIS   3           HA       HIS   3 -10.687  -3.477  -1.205
   23    HB2  HIS   3           HB2      HIS   3 -11.211  -3.349   1.169
   24    HB3  HIS   3           HB1      HIS   3 -12.602  -3.985   0.293
   25    HD2  HIS   3           HD2      HIS   3 -13.011  -6.838   0.643
   26    HE1  HIS   3           HE1      HIS   3 -10.409  -7.141   3.954
   27    HE2  HIS   3           HE2      HIS   3 -12.196  -8.348   2.610
   28    H    HIS   4           HN       HIS   4  -9.743  -6.680  -0.156
   29    HA   HIS   4           HA       HIS   4  -7.444  -5.955   1.352
   30    HB2  HIS   4           HB2      HIS   4  -8.528  -8.207   1.415
   31    HB3  HIS   4           HB1      HIS   4  -7.908  -8.510  -0.207
   32    HD2  HIS   4           HD2      HIS   4  -6.542  -8.198   3.469
   33    HE1  HIS   4           HE1      HIS   4  -3.376  -9.488   0.992
   34    HE2  HIS   4           HE2      HIS   4  -4.081  -9.066   3.395
   35    H    ILE   5           HN       ILE   5  -7.939  -6.803  -2.049
   36    HA   ILE   5           HA       ILE   5  -5.220  -6.697  -2.830
   37    HB   ILE   5           HB       ILE   5  -7.760  -6.280  -4.426
   38   HG12  ILE   5          HG12      ILE   5  -5.844  -8.630  -4.328
   39   HG13  ILE   5          HG11      ILE   5  -7.312  -8.532  -3.356
   40   HG21  ILE   5          HG21      ILE   5  -4.861  -6.477  -5.292
   41   HG22  ILE   5          HG22      ILE   5  -6.010  -5.192  -5.664
   42   HG23  ILE   5          HG23      ILE   5  -6.206  -6.784  -6.392
   43   HD11  ILE   5          HD11      ILE   5  -7.684  -9.800  -5.460
   44   HD12  ILE   5          HD12      ILE   5  -7.221  -8.370  -6.383
   45   HD13  ILE   5          HD13      ILE   5  -8.676  -8.343  -5.386
   46    H    PHE   6           HN       PHE   6  -7.788  -4.254  -2.794
   47    HA   PHE   6           HA       PHE   6  -6.259  -2.179  -4.001
   48    HB2  PHE   6           HB2      PHE   6  -8.758  -2.209  -3.842
   49    HB3  PHE   6           HB1      PHE   6  -8.607  -1.878  -2.115
   50    HD1  PHE   6           HD1      PHE   6  -7.775  -0.569  -5.502
   51    HD2  PHE   6           HD2      PHE   6  -8.156   0.319  -1.317
   52    HE1  PHE   6           HE1      PHE   6  -7.516   1.849  -5.991
   53    HE2  PHE   6           HE2      PHE   6  -7.896   2.737  -1.807
   54    HZ   PHE   6           HZ       PHE   6  -7.576   3.501  -4.144
   55    H    ARG   7           HN       ARG   7  -6.900  -3.116  -0.664
   56    HA   ARG   7           HA       ARG   7  -5.616  -0.948   0.590
   57    HB2  ARG   7           HB2      ARG   7  -7.121  -2.672   1.705
   58    HB3  ARG   7           HB1      ARG   7  -5.738  -3.761   1.690
   59    HG2  ARG   7           HG2      ARG   7  -5.481  -2.794   3.794
   60    HG3  ARG   7           HG1      ARG   7  -4.490  -1.708   2.823
   61    HD2  ARG   7           HD2      ARG   7  -6.472  -0.190   2.589
   62    HD3  ARG   7           HD1      ARG   7  -7.372  -1.255   3.660
   63    HE   ARG   7           HE       ARG   7  -5.107  -0.621   5.078
   64   HH11  ARG   7          HH21      ARG   7  -7.612   1.120   3.444
   65   HH12  ARG   7          HH22      ARG   7  -7.544   2.487   4.504
   66   HH21  ARG   7          HH11      ARG   7  -5.013   1.171   6.474
   67   HH22  ARG   7          HH12      ARG   7  -6.073   2.517   6.220
   68    H    GLY   8           HN       GLY   8  -4.392  -4.004  -0.656
   69    HA2  GLY   8           HA2      GLY   8  -1.842  -4.038   0.465
   70    HA3  GLY   8           HA1      GLY   8  -2.255  -4.714  -1.108
   71    H    ILE   9           HN       ILE   9  -3.126  -2.192  -2.220
   72    HA   ILE   9           HA       ILE   9  -0.669  -1.290  -3.314
   73    HB   ILE   9           HB       ILE   9  -3.310   0.190  -3.308
   74   HG12  ILE   9          HG12      ILE   9  -3.695  -2.072  -4.110
   75   HG13  ILE   9          HG11      ILE   9  -3.674  -0.984  -5.496
   76   HG21  ILE   9          HG21      ILE   9  -0.950   0.220  -5.212
   77   HG22  ILE   9          HG22      ILE   9  -1.367   1.505  -4.079
   78   HG23  ILE   9          HG23      ILE   9  -2.444   1.129  -5.425
   79   HD11  ILE   9          HD11      ILE   9  -2.311  -2.735  -6.237
   80   HD12  ILE   9          HD12      ILE   9  -1.613  -2.999  -4.639
   81   HD13  ILE   9          HD13      ILE   9  -1.113  -1.610  -5.598
   82    H    VAL  10           HN       VAL  10  -2.809   0.042  -0.842
   83    HA   VAL  10           HA       VAL  10  -1.437   2.449  -0.377
   84    HB   VAL  10           HB       VAL  10  -3.003   0.742   1.575
   85   HG11  VAL  10          HG11      VAL  10  -1.646   2.309   2.817
   86   HG12  VAL  10          HG12      VAL  10  -3.286   2.957   2.762
   87   HG13  VAL  10          HG13      VAL  10  -2.043   3.613   1.698
   88   HG21  VAL  10          HG21      VAL  10  -4.255   1.475  -0.447
   89   HG22  VAL  10          HG22      VAL  10  -3.816   3.145  -0.093
   90   HG23  VAL  10          HG23      VAL  10  -4.857   2.252   1.017
   91    H    HIS  11           HN       HIS  11  -1.024  -0.768   1.077
   92    HA   HIS  11           HA       HIS  11   1.011  -0.027   2.918
   93    HB2  HIS  11           HB2      HIS  11  -0.264  -2.113   3.143
   94    HB3  HIS  11           HB1      HIS  11   0.451  -2.719   1.649
   95    HD2  HIS  11           HD2      HIS  11   2.771  -4.140   2.098
   96    HE1  HIS  11           HE1      HIS  11   3.744  -2.533   5.880
   97    HE2  HIS  11           HE2      HIS  11   4.428  -4.226   4.114
   98    H    VAL  12           HN       VAL  12   1.101  -1.361  -0.350
   99    HA   VAL  12           HA       VAL  12   3.894  -1.656  -0.581
  100    HB   VAL  12           HB       VAL  12   1.795  -1.107  -2.692
  101   HG11  VAL  12          HG11      VAL  12   3.835  -0.387  -3.684
  102   HG12  VAL  12          HG12      VAL  12   3.626  -2.050  -4.236
  103   HG13  VAL  12          HG13      VAL  12   4.751  -1.689  -2.926
  104   HG21  VAL  12          HG21      VAL  12   1.846  -3.291  -1.287
  105   HG22  VAL  12          HG22      VAL  12   3.318  -3.669  -2.172
  106   HG23  VAL  12          HG23      VAL  12   1.798  -3.451  -3.041
  107    H    GLY  13           HN       GLY  13   1.777   1.086  -1.387
  108    HA2  GLY  13           HA2      GLY  13   3.886   2.778  -2.315
  109    HA3  GLY  13           HA1      GLY  13   2.255   3.292  -1.889
  110    H    LYS  14           HN       LYS  14   2.390   2.161   0.785
  111    HA   LYS  14           HA       LYS  14   3.337   4.409   2.192
  112    HB2  LYS  14           HB2      LYS  14   1.622   2.751   3.034
  113    HB3  LYS  14           HB1      LYS  14   2.949   1.637   3.344
  114    HG2  LYS  14           HG2      LYS  14   2.720   2.665   5.428
  115    HG3  LYS  14           HG1      LYS  14   3.975   3.656   4.694
  116    HD2  LYS  14           HD2      LYS  14   2.321   5.337   4.044
  117    HD3  LYS  14           HD1      LYS  14   1.016   4.325   4.654
  118    HE2  LYS  14           HE2      LYS  14   1.947   4.479   6.927
  119    HE3  LYS  14           HE1      LYS  14   3.278   5.466   6.322
  120    HZ1  LYS  14           HZ1      LYS  14   1.936   7.253   6.000
  121    HZ2  LYS  14           HZ2      LYS  14   1.107   6.540   7.300
  122    HZ3  LYS  14           HZ3      LYS  14   0.549   6.320   5.711
  123    H    THR  15           HN       THR  15   4.771   1.191   1.717
  124    HA   THR  15           HA       THR  15   7.108   1.701   3.259
  125    HB   THR  15           HB       THR  15   6.637  -0.304   1.040
  126    HG1  THR  15           HG1      THR  15   5.607  -0.117   3.419
  127   HG21  THR  15          HG21      THR  15   8.994  -0.091   1.322
  128   HG22  THR  15          HG22      THR  15   8.530  -1.496   2.282
  129   HG23  THR  15          HG23      THR  15   8.844   0.050   3.073
  130    H    ILE  16           HN       ILE  16   6.373   1.894  -0.187
  131    HA   ILE  16           HA       ILE  16   8.980   2.592  -1.052
  132    HB   ILE  16           HB       ILE  16   6.265   3.124  -2.281
  133   HG12  ILE  16          HG12      ILE  16   8.441   1.160  -3.060
  134   HG13  ILE  16          HG11      ILE  16   7.092   0.738  -2.007
  135   HG21  ILE  16          HG21      ILE  16   7.711   4.773  -3.225
  136   HG22  ILE  16          HG22      ILE  16   7.683   3.452  -4.395
  137   HG23  ILE  16          HG23      ILE  16   9.063   3.645  -3.313
  138   HD11  ILE  16          HD11      ILE  16   6.985   1.605  -4.902
  139   HD12  ILE  16          HD12      ILE  16   5.555   1.581  -3.873
  140   HD13  ILE  16          HD13      ILE  16   6.425   0.085  -4.208
  141    H    HIS  17           HN       HIS  17   6.168   4.557  -0.141
  142    HA   HIS  17           HA       HIS  17   7.212   7.078  -0.737
  143    HB2  HIS  17           HB2      HIS  17   4.841   6.614  -0.113
  144    HB3  HIS  17           HB1      HIS  17   5.362   6.394   1.558
  145    HD2  HIS  17           HD2      HIS  17   4.740   9.299  -0.979
  146    HE1  HIS  17           HE1      HIS  17   6.011  11.026   2.658
  147    HE2  HIS  17           HE2      HIS  17   5.067  11.521   0.353
  148    H    ARG  18           HN       ARG  18   7.639   5.009   2.069
  149    HA   ARG  18           HA       ARG  18   8.944   6.953   3.697
  150    HB2  ARG  18           HB2      ARG  18   7.863   4.832   4.548
  151    HB3  ARG  18           HB1      ARG  18   9.227   3.946   3.874
  152    HG2  ARG  18           HG2      ARG  18   9.960   4.265   6.064
  153    HG3  ARG  18           HG1      ARG  18  10.671   5.669   5.276
  154    HD2  ARG  18           HD2      ARG  18   8.745   7.045   5.989
  155    HD3  ARG  18           HD1      ARG  18   8.029   5.640   6.767
  156    HE   ARG  18           HE       ARG  18  10.504   5.833   7.917
  157   HH11  ARG  18          HH21      ARG  18   7.850   7.989   7.380
  158   HH12  ARG  18          HH22      ARG  18   8.146   8.930   8.804
  159   HH21  ARG  18          HH11      ARG  18  10.898   7.063   9.788
  160   HH22  ARG  18          HH12      ARG  18   9.871   8.406  10.166
  161    H    LEU  19           HN       LEU  19  10.094   4.495   1.410
  162    HA   LEU  19           HA       LEU  19  12.845   4.688   1.976
  163    HB2  LEU  19           HB2      LEU  19  11.918   2.877   0.627
  164    HB3  LEU  19           HB1      LEU  19  11.457   4.019  -0.631
  165    HG   LEU  19           HG       LEU  19  13.832   4.587  -1.001
  166   HD11  LEU  19          HD11      LEU  19  15.478   2.887   0.173
  167   HD12  LEU  19          HD12      LEU  19  14.197   2.779   1.379
  168   HD13  LEU  19          HD13      LEU  19  14.951   4.332   1.032
  169   HD21  LEU  19          HD21      LEU  19  13.417   1.581  -0.984
  170   HD22  LEU  19          HD22      LEU  19  14.512   2.497  -2.018
  171   HD23  LEU  19          HD23      LEU  19  12.769   2.670  -2.213
  172    H    VAL  20           HN       VAL  20  10.904   6.421  -0.464
  173    HA   VAL  20           HA       VAL  20  13.043   7.912  -1.555
  174    HB   VAL  20           HB       VAL  20  11.219   9.443  -2.383
  175   HG11  VAL  20          HG11      VAL  20  10.975   6.444  -2.738
  176   HG12  VAL  20          HG12      VAL  20  11.868   7.573  -3.758
  177   HG13  VAL  20          HG13      VAL  20  10.105   7.612  -3.733
  178   HG21  VAL  20          HG21      VAL  20   8.893   8.672  -1.975
  179   HG22  VAL  20          HG22      VAL  20   9.685   9.176  -0.484
  180   HG23  VAL  20          HG23      VAL  20   9.514   7.461  -0.856
  181    H    THR  21           HN       THR  21  10.835   8.579   1.127
  182    HA   THR  21           HA       THR  21  11.747  11.257   1.552
  183    HB   THR  21           HB       THR  21  10.629  10.860   3.857
  184    HG1  THR  21           HG1      THR  21   9.158   8.984   3.594
  185   HG21  THR  21          HG21      THR  21   8.945  10.387   1.379
  186   HG22  THR  21          HG22      THR  21   9.555  11.968   1.869
  187   HG23  THR  21          HG23      THR  21   8.417  11.104   2.902
  188    H    GLY  22           HN       GLY  22  13.552   8.672   1.635
  189    HA2  GLY  22           HA2      GLY  22  15.638   8.267   2.559
  190    HA3  GLY  22           HA1      GLY  22  15.485   9.785   3.438
  191    HN1  NH2  23           HT1      GLY  22  13.124   7.320   5.549
  192    HN2  NH2  23           HT2      GLY  22  12.674   8.122   4.082
  Start of MODEL    8
    1    H1   PHE   1           HT1      PHE   1 -11.185  -9.982  -3.868
    2    H2   PHE   1           HT2      PHE   1 -10.740 -10.539  -2.326
    3    H3   PHE   1           HT3      PHE   1 -10.592 -11.560  -3.676
    4    HA   PHE   1           HA       PHE   1  -8.487 -10.460  -2.778
    5    HB2  PHE   1           HB2      PHE   1  -9.297 -10.264  -5.697
    6    HB3  PHE   1           HB1      PHE   1  -7.633 -10.207  -5.103
    7    HD1  PHE   1           HD1      PHE   1  -6.644 -12.181  -3.947
    8    HD2  PHE   1           HD2      PHE   1 -10.519 -12.335  -5.793
    9    HE1  PHE   1           HE1      PHE   1  -6.594 -14.659  -3.844
   10    HE2  PHE   1           HE2      PHE   1 -10.469 -14.812  -5.689
   11    HZ   PHE   1           HZ       PHE   1  -8.506 -15.974  -4.715
   12    H    PHE   2           HN       PHE   2 -10.885  -8.483  -4.485
   13    HA   PHE   2           HA       PHE   2  -9.556  -6.141  -4.835
   14    HB2  PHE   2           HB2      PHE   2 -11.896  -6.592  -5.513
   15    HB3  PHE   2           HB1      PHE   2 -12.399  -6.385  -3.835
   16    HD1  PHE   2           HD2      PHE   2 -10.536  -4.651  -6.579
   17    HD2  PHE   2           HD1      PHE   2 -12.931  -4.229  -3.040
   18    HE1  PHE   2           HE2      PHE   2 -10.625  -2.198  -6.933
   19    HE2  PHE   2           HE1      PHE   2 -13.021  -1.775  -3.394
   20    HZ   PHE   2           HZ       PHE   2 -11.868  -0.760  -5.341
   21    H    HIS   3           HN       HIS   3 -11.032  -7.234  -1.752
   22    HA   HIS   3           HA       HIS   3 -10.720  -4.871  -0.316
   23    HB2  HIS   3           HB2      HIS   3 -11.956  -6.811   0.522
   24    HB3  HIS   3           HB1      HIS   3 -10.457  -7.729   0.642
   25    HD2  HIS   3           HD2      HIS   3 -12.497  -5.232   2.752
   26    HE1  HIS   3           HE1      HIS   3  -8.733  -5.617   4.624
   27    HE2  HIS   3           HE2      HIS   3 -11.089  -4.707   4.887
   28    H    HIS   4           HN       HIS   4  -8.457  -7.648  -0.418
   29    HA   HIS   4           HA       HIS   4  -6.412  -6.266   1.023
   30    HB2  HIS   4           HB2      HIS   4  -6.381  -8.790  -0.634
   31    HB3  HIS   4           HB1      HIS   4  -4.984  -8.195   0.264
   32    HD2  HIS   4           HD2      HIS   4  -8.263 -10.141   0.927
   33    HE1  HIS   4           HE1      HIS   4  -6.567  -9.267   4.694
   34    HE2  HIS   4           HE2      HIS   4  -8.369 -10.597   3.496
   35    H    ILE   5           HN       ILE   5  -6.904  -7.009  -2.406
   36    HA   ILE   5           HA       ILE   5  -4.456  -5.961  -3.343
   37    HB   ILE   5           HB       ILE   5  -7.131  -6.307  -4.712
   38   HG12  ILE   5          HG12      ILE   5  -6.081  -8.405  -3.955
   39   HG13  ILE   5          HG11      ILE   5  -6.051  -8.297  -5.710
   40   HG21  ILE   5          HG21      ILE   5  -5.958  -4.663  -6.001
   41   HG22  ILE   5          HG22      ILE   5  -5.726  -6.201  -6.829
   42   HG23  ILE   5          HG23      ILE   5  -4.431  -5.532  -5.836
   43   HD11  ILE   5          HD11      ILE   5  -3.790  -8.158  -3.755
   44   HD12  ILE   5          HD12      ILE   5  -3.643  -7.211  -5.231
   45   HD13  ILE   5          HD13      ILE   5  -3.864  -8.954  -5.323
   46    H    PHE   6           HN       PHE   6  -7.654  -4.440  -2.972
   47    HA   PHE   6           HA       PHE   6  -6.951  -1.955  -4.154
   48    HB2  PHE   6           HB2      PHE   6  -9.284  -2.677  -3.787
   49    HB3  PHE   6           HB1      PHE   6  -9.040  -2.553  -2.046
   50    HD1  PHE   6           HD1      PHE   6  -8.846  -0.569  -5.210
   51    HD2  PHE   6           HD2      PHE   6  -9.349  -0.486  -0.945
   52    HE1  PHE   6           HE1      PHE   6  -9.382   1.850  -5.319
   53    HE2  PHE   6           HE2      PHE   6  -9.884   1.933  -1.055
   54    HZ   PHE   6           HZ       PHE   6  -9.901   3.101  -3.243
   55    H    ARG   7           HN       ARG   7  -7.061  -3.054  -0.796
   56    HA   ARG   7           HA       ARG   7  -6.064  -0.613   0.313
   57    HB2  ARG   7           HB2      ARG   7  -6.350  -3.398   1.439
   58    HB3  ARG   7           HB1      ARG   7  -5.709  -2.048   2.378
   59    HG2  ARG   7           HG2      ARG   7  -7.777  -0.768   1.957
   60    HG3  ARG   7           HG1      ARG   7  -8.421  -2.116   1.019
   61    HD2  ARG   7           HD2      ARG   7  -8.306  -3.564   3.004
   62    HD3  ARG   7           HD1      ARG   7  -7.640  -2.235   3.946
   63    HE   ARG   7           HE       ARG   7 -10.074  -1.391   2.806
   64   HH11  ARG   7          HH21      ARG   7  -8.811  -3.614   5.137
   65   HH12  ARG   7          HH22      ARG   7 -10.240  -3.613   6.115
   66   HH21  ARG   7          HH11      ARG   7 -11.954  -1.391   4.080
   67   HH22  ARG   7          HH12      ARG   7 -12.020  -2.355   5.518
   68    H    GLY   8           HN       GLY   8  -4.585  -3.598  -0.784
   69    HA2  GLY   8           HA2      GLY   8  -2.085  -3.512   0.364
   70    HA3  GLY   8           HA1      GLY   8  -2.402  -4.125  -1.253
   71    H    ILE   9           HN       ILE   9  -3.328  -1.510  -2.248
   72    HA   ILE   9           HA       ILE   9  -0.896  -0.535  -3.269
   73    HB   ILE   9           HB       ILE   9  -3.234  -0.152  -4.209
   74   HG12  ILE   9          HG12      ILE   9  -1.548   2.351  -3.898
   75   HG13  ILE   9          HG11      ILE   9  -1.129   1.025  -4.983
   76   HG21  ILE   9          HG21      ILE   9  -4.588   1.589  -3.357
   77   HG22  ILE   9          HG22      ILE   9  -3.273   2.263  -2.393
   78   HG23  ILE   9          HG23      ILE   9  -4.032   0.752  -1.910
   79   HD11  ILE   9          HD11      ILE   9  -2.345   2.763  -6.217
   80   HD12  ILE   9          HD12      ILE   9  -3.685   2.655  -5.074
   81   HD13  ILE   9          HD13      ILE   9  -3.313   1.291  -6.128
   82    H    VAL  10           HN       VAL  10  -2.877   0.566  -0.563
   83    HA   VAL  10           HA       VAL  10  -1.395   2.870   0.097
   84    HB   VAL  10           HB       VAL  10  -3.059   1.044   1.847
   85   HG11  VAL  10          HG11      VAL  10  -1.635   2.263   3.327
   86   HG12  VAL  10          HG12      VAL  10  -3.159   3.152   3.299
   87   HG13  VAL  10          HG13      VAL  10  -1.779   3.736   2.366
   88   HG21  VAL  10          HG21      VAL  10  -4.160   2.241  -0.101
   89   HG22  VAL  10          HG22      VAL  10  -3.704   3.761   0.668
   90   HG23  VAL  10          HG23      VAL  10  -4.812   2.657   1.483
   91    H    HIS  11           HN       HIS  11  -1.142  -0.477   1.300
   92    HA   HIS  11           HA       HIS  11   1.012   0.043   3.087
   93    HB2  HIS  11           HB2      HIS  11  -0.004  -2.489   1.788
   94    HB3  HIS  11           HB1      HIS  11   1.338  -2.475   2.933
   95    HD2  HIS  11           HD2      HIS  11   0.601  -1.952   5.628
   96    HE1  HIS  11           HE1      HIS  11  -3.564  -1.866   4.940
   97    HE2  HIS  11           HE2      HIS  11  -1.765  -1.893   6.733
   98    H    VAL  12           HN       VAL  12   0.854  -1.149  -0.236
   99    HA   VAL  12           HA       VAL  12   3.606  -1.654  -0.592
  100    HB   VAL  12           HB       VAL  12   1.452  -0.897  -2.579
  101   HG11  VAL  12          HG11      VAL  12   3.132  -1.926  -4.235
  102   HG12  VAL  12          HG12      VAL  12   4.345  -1.678  -2.979
  103   HG13  VAL  12          HG13      VAL  12   3.485  -0.297  -3.659
  104   HG21  VAL  12          HG21      VAL  12   1.260  -3.224  -2.976
  105   HG22  VAL  12          HG22      VAL  12   1.421  -3.118  -1.223
  106   HG23  VAL  12          HG23      VAL  12   2.809  -3.574  -2.208
  107    H    GLY  13           HN       GLY  13   1.671   1.257  -1.256
  108    HA2  GLY  13           HA2      GLY  13   3.847   2.821  -2.239
  109    HA3  GLY  13           HA1      GLY  13   2.288   3.436  -1.697
  110    H    LYS  14           HN       LYS  14   2.554   2.145   0.919
  111    HA   LYS  14           HA       LYS  14   3.654   4.282   2.380
  112    HB2  LYS  14           HB2      LYS  14   1.974   2.683   3.272
  113    HB3  LYS  14           HB1      LYS  14   3.226   1.445   3.340
  114    HG2  LYS  14           HG2      LYS  14   4.541   2.819   4.888
  115    HG3  LYS  14           HG1      LYS  14   3.346   4.111   4.787
  116    HD2  LYS  14           HD2      LYS  14   2.447   1.353   5.611
  117    HD3  LYS  14           HD1      LYS  14   3.266   2.375   6.792
  118    HE2  LYS  14           HE2      LYS  14   0.780   3.138   5.225
  119    HE3  LYS  14           HE1      LYS  14   0.826   2.678   6.926
  120    HZ1  LYS  14           HZ1      LYS  14   2.547   4.571   7.094
  121    HZ2  LYS  14           HZ2      LYS  14   0.895   4.963   7.020
  122    HZ3  LYS  14           HZ3      LYS  14   1.868   5.109   5.637
  123    H    THR  15           HN       THR  15   5.020   1.077   1.620
  124    HA   THR  15           HA       THR  15   7.433   1.432   3.072
  125    HB   THR  15           HB       THR  15   6.816  -0.329   0.690
  126    HG1  THR  15           HG1      THR  15   5.647  -1.177   2.231
  127   HG21  THR  15          HG21      THR  15   9.187  -0.154   0.822
  128   HG22  THR  15          HG22      THR  15   8.777  -1.649   1.663
  129   HG23  THR  15          HG23      THR  15   9.165  -0.197   2.585
  130    H    ILE  16           HN       ILE  16   6.613   1.902  -0.337
  131    HA   ILE  16           HA       ILE  16   9.207   2.741  -1.167
  132    HB   ILE  16           HB       ILE  16   6.545   3.480  -2.406
  133   HG12  ILE  16          HG12      ILE  16   6.702   1.056  -2.189
  134   HG13  ILE  16          HG11      ILE  16   6.966   1.496  -3.871
  135   HG21  ILE  16          HG21      ILE  16   8.364   4.826  -3.278
  136   HG22  ILE  16          HG22      ILE  16   7.945   3.609  -4.485
  137   HG23  ILE  16          HG23      ILE  16   9.377   3.396  -3.479
  138   HD11  ILE  16          HD11      ILE  16   9.508   1.497  -3.194
  139   HD12  ILE  16          HD12      ILE  16   8.695  -0.037  -3.486
  140   HD13  ILE  16          HD13      ILE  16   8.955   0.521  -1.835
  141    H    HIS  17           HN       HIS  17   6.296   4.568  -0.274
  142    HA   HIS  17           HA       HIS  17   7.274   7.144  -0.626
  143    HB2  HIS  17           HB2      HIS  17   5.335   6.098   1.449
  144    HB3  HIS  17           HB1      HIS  17   5.610   7.810   1.125
  145    HD2  HIS  17           HD2      HIS  17   5.803   6.389  -2.279
  146    HE1  HIS  17           HE1      HIS  17   1.653   6.857  -1.665
  147    HE2  HIS  17           HE2      HIS  17   3.451   6.444  -3.411
  148    H    ARG  18           HN       ARG  18   7.599   5.000   2.187
  149    HA   ARG  18           HA       ARG  18   8.922   6.922   3.820
  150    HB2  ARG  18           HB2      ARG  18   7.777   4.920   4.724
  151    HB3  ARG  18           HB1      ARG  18   9.008   3.899   3.981
  152    HG2  ARG  18           HG2      ARG  18  10.755   5.005   5.315
  153    HG3  ARG  18           HG1      ARG  18   9.544   6.063   6.040
  154    HD2  ARG  18           HD2      ARG  18   9.994   4.235   7.573
  155    HD3  ARG  18           HD1      ARG  18   8.373   4.036   6.916
  156    HE   ARG  18           HE       ARG  18   9.110   2.139   5.751
  157   HH11  ARG  18          HH21      ARG  18  11.724   3.875   7.210
  158   HH12  ARG  18          HH22      ARG  18  12.885   2.616   6.951
  159   HH21  ARG  18          HH11      ARG  18  10.626   0.484   5.410
  160   HH22  ARG  18          HH12      ARG  18  12.264   0.697   5.933
  161    H    LEU  19           HN       LEU  19  10.061   4.334   1.664
  162    HA   LEU  19           HA       LEU  19  12.804   4.553   2.285
  163    HB2  LEU  19           HB2      LEU  19  11.888   2.603   1.147
  164    HB3  LEU  19           HB1      LEU  19  11.432   3.593  -0.236
  165    HG   LEU  19           HG       LEU  19  13.793   4.085  -0.700
  166   HD11  LEU  19          HD11      LEU  19  14.199   2.590   1.891
  167   HD12  LEU  19          HD12      LEU  19  14.893   4.129   1.380
  168   HD13  LEU  19          HD13      LEU  19  15.478   2.626   0.676
  169   HD21  LEU  19          HD21      LEU  19  13.494   1.111  -0.216
  170   HD22  LEU  19          HD22      LEU  19  14.427   1.911  -1.484
  171   HD23  LEU  19          HD23      LEU  19  12.663   1.957  -1.522
  172    H    VAL  20           HN       VAL  20  10.919   5.991  -0.399
  173    HA   VAL  20           HA       VAL  20  13.125   7.348  -1.551
  174    HB   VAL  20           HB       VAL  20  11.014   6.903  -2.765
  175   HG11  VAL  20          HG11      VAL  20   9.589   7.524  -0.734
  176   HG12  VAL  20          HG12      VAL  20   9.015   8.099  -2.294
  177   HG13  VAL  20          HG13      VAL  20   9.843   9.204  -1.196
  178   HG21  VAL  20          HG21      VAL  20  10.902   9.079  -3.897
  179   HG22  VAL  20          HG22      VAL  20  12.577   8.687  -3.509
  180   HG23  VAL  20          HG23      VAL  20  11.692   9.853  -2.525
  181    H    THR  21           HN       THR  21  10.681   8.349   0.816
  182    HA   THR  21           HA       THR  21  11.442  11.058   0.995
  183    HB   THR  21           HB       THR  21  10.410  10.847   3.346
  184    HG1  THR  21           HG1      THR  21  10.750   8.657   3.642
  185   HG21  THR  21          HG21      THR  21   9.028  11.684   1.612
  186   HG22  THR  21          HG22      THR  21   8.109  10.351   2.311
  187   HG23  THR  21          HG23      THR  21   8.974  10.123   0.790
  188    H    GLY  22           HN       GLY  22  13.585  11.492   1.214
  189    HA2  GLY  22           HA2      GLY  22  15.542  10.099   2.547
  190    HA3  GLY  22           HA1      GLY  22  15.554  11.850   2.366
  191    HN1  NH2  23           HT1      GLY  22  13.261  11.324   5.617
  192    HN2  NH2  23           HT2      GLY  22  12.725  11.156   3.979
  Start of MODEL    9
    1    H1   PHE   1           HT1      PHE   1 -11.737 -10.870  -2.755
    2    H2   PHE   1           HT2      PHE   1 -12.166  -9.530  -3.708
    3    H3   PHE   1           HT3      PHE   1 -11.788  -9.321  -2.065
    4    HA   PHE   1           HA       PHE   1  -9.506 -10.114  -2.530
    5    HB2  PHE   1           HB2      PHE   1 -10.514  -9.874  -5.385
    6    HB3  PHE   1           HB1      PHE   1  -8.826 -10.102  -4.927
    7    HD1  PHE   1           HD1      PHE   1  -8.158 -12.181  -3.650
    8    HD2  PHE   1           HD2      PHE   1 -12.038 -11.705  -5.432
    9    HE1  PHE   1           HE1      PHE   1  -8.528 -14.629  -3.500
   10    HE2  PHE   1           HE2      PHE   1 -12.407 -14.152  -5.282
   11    HZ   PHE   1           HZ       PHE   1 -10.653 -15.614  -4.315
   12    H    PHE   2           HN       PHE   2 -11.523  -7.796  -4.364
   13    HA   PHE   2           HA       PHE   2  -9.786  -5.757  -4.775
   14    HB2  PHE   2           HB2      PHE   2 -12.195  -5.785  -5.423
   15    HB3  PHE   2           HB1      PHE   2 -12.608  -5.407  -3.750
   16    HD1  PHE   2           HD1      PHE   2 -10.547  -4.184  -6.625
   17    HD2  PHE   2           HD2      PHE   2 -12.637  -3.168  -3.012
   18    HE1  PHE   2           HE1      PHE   2 -10.153  -1.776  -7.074
   19    HE2  PHE   2           HE2      PHE   2 -12.243  -0.762  -3.461
   20    HZ   PHE   2           HZ       PHE   2 -11.001  -0.066  -5.492
   21    H    HIS   3           HN       HIS   3 -11.397  -6.526  -1.675
   22    HA   HIS   3           HA       HIS   3 -10.691  -4.222  -0.255
   23    HB2  HIS   3           HB2      HIS   3 -12.255  -5.946   0.558
   24    HB3  HIS   3           HB1      HIS   3 -10.909  -7.069   0.745
   25    HD2  HIS   3           HD2      HIS   3 -12.303  -3.816   2.478
   26    HE1  HIS   3           HE1      HIS   3  -9.220  -5.392   4.893
   27    HE2  HIS   3           HE2      HIS   3 -11.043  -3.631   4.757
   28    H    HIS   4           HN       HIS   4  -8.973  -7.366  -0.349
   29    HA   HIS   4           HA       HIS   4  -6.700  -6.376   1.072
   30    HB2  HIS   4           HB2      HIS   4  -7.336  -8.760   1.073
   31    HB3  HIS   4           HB1      HIS   4  -6.961  -8.851  -0.648
   32    HD2  HIS   4           HD2      HIS   4  -5.033  -8.451   2.773
   33    HE1  HIS   4           HE1      HIS   4  -2.211  -9.222  -0.273
   34    HE2  HIS   4           HE2      HIS   4  -2.527  -8.950   2.233
   35    H    ILE   5           HN       ILE   5  -7.387  -6.983  -2.344
   36    HA   ILE   5           HA       ILE   5  -4.802  -6.403  -3.317
   37    HB   ILE   5           HB       ILE   5  -7.515  -6.253  -4.643
   38   HG12  ILE   5          HG12      ILE   5  -6.391  -8.494  -3.804
   39   HG13  ILE   5          HG11      ILE   5  -7.108  -8.436  -5.410
   40   HG21  ILE   5          HG21      ILE   5  -4.741  -5.797  -5.737
   41   HG22  ILE   5          HG22      ILE   5  -6.189  -4.817  -5.981
   42   HG23  ILE   5          HG23      ILE   5  -6.038  -6.386  -6.773
   43   HD11  ILE   5          HD11      ILE   5  -5.022  -8.341  -6.482
   44   HD12  ILE   5          HD12      ILE   5  -4.699  -9.436  -5.141
   45   HD13  ILE   5          HD13      ILE   5  -4.196  -7.752  -5.048
   46    H    PHE   6           HN       PHE   6  -7.664  -4.346  -2.864
   47    HA   PHE   6           HA       PHE   6  -6.496  -2.003  -4.000
   48    HB2  PHE   6           HB2      PHE   6  -8.943  -2.342  -3.733
   49    HB3  PHE   6           HB1      PHE   6  -8.745  -2.220  -1.985
   50    HD1  PHE   6           HD1      PHE   6  -8.263  -0.381  -5.192
   51    HD2  PHE   6           HD2      PHE   6  -8.548  -0.104  -0.914
   52    HE1  PHE   6           HE1      PHE   6  -8.346   2.093  -5.358
   53    HE2  PHE   6           HE2      PHE   6  -8.632   2.370  -1.080
   54    HZ   PHE   6           HZ       PHE   6  -8.530   3.466  -3.303
   55    H    ARG   7           HN       ARG   7  -6.891  -3.170  -0.669
   56    HA   ARG   7           HA       ARG   7  -5.675  -0.939   0.578
   57    HB2  ARG   7           HB2      ARG   7  -7.118  -2.725   1.687
   58    HB3  ARG   7           HB1      ARG   7  -5.691  -3.758   1.663
   59    HG2  ARG   7           HG2      ARG   7  -5.432  -2.778   3.763
   60    HG3  ARG   7           HG1      ARG   7  -4.529  -1.629   2.781
   61    HD2  ARG   7           HD2      ARG   7  -6.561  -0.214   2.596
   62    HD3  ARG   7           HD1      ARG   7  -7.436  -1.353   3.608
   63    HE   ARG   7           HE       ARG   7  -5.380   0.536   4.484
   64   HH11  ARG   7          HH21      ARG   7  -7.384  -2.203   5.168
   65   HH12  ARG   7          HH22      ARG   7  -7.257  -2.037   6.887
   66   HH21  ARG   7          HH11      ARG   7  -5.210   0.756   6.738
   67   HH22  ARG   7          HH12      ARG   7  -6.027  -0.364   7.775
   68    H    GLY   8           HN       GLY   8  -4.395  -3.986  -0.665
   69    HA2  GLY   8           HA2      GLY   8  -1.841  -3.980   0.407
   70    HA3  GLY   8           HA1      GLY   8  -2.250  -4.627  -1.177
   71    H    ILE   9           HN       ILE   9  -3.168  -2.070  -2.218
   72    HA   ILE   9           HA       ILE   9  -0.743  -1.123  -3.322
   73    HB   ILE   9           HB       ILE   9  -3.503   0.129  -3.229
   74   HG12  ILE   9          HG12      ILE   9  -2.041  -1.217  -5.518
   75   HG13  ILE   9          HG11      ILE   9  -3.136  -2.084  -4.439
   76   HG21  ILE   9          HG21      ILE   9  -1.949   1.925  -3.618
   77   HG22  ILE   9          HG22      ILE   9  -2.592   1.468  -5.194
   78   HG23  ILE   9          HG23      ILE   9  -0.984   0.932  -4.710
   79   HD11  ILE   9          HD11      ILE   9  -4.300  -1.314  -6.487
   80   HD12  ILE   9          HD12      ILE   9  -3.879   0.352  -6.087
   81   HD13  ILE   9          HD13      ILE   9  -4.966  -0.559  -5.038
   82    H    VAL  10           HN       VAL  10  -2.826   0.127  -0.751
   83    HA   VAL  10           HA       VAL  10  -1.471   2.529  -0.255
   84    HB   VAL  10           HB       VAL  10  -3.013   0.735   1.636
   85   HG11  VAL  10          HG11      VAL  10  -3.197   2.884   2.995
   86   HG12  VAL  10          HG12      VAL  10  -1.894   3.526   1.995
   87   HG13  VAL  10          HG13      VAL  10  -1.610   2.114   3.013
   88   HG21  VAL  10          HG21      VAL  10  -4.827   2.305   1.235
   89   HG22  VAL  10          HG22      VAL  10  -4.233   1.727  -0.323
   90   HG23  VAL  10          HG23      VAL  10  -3.774   3.329   0.259
   91    H    HIS  11           HN       HIS  11  -0.961  -0.717   1.116
   92    HA   HIS  11           HA       HIS  11   1.117   0.032   2.901
   93    HB2  HIS  11           HB2      HIS  11   0.358  -2.610   1.647
   94    HB3  HIS  11           HB1      HIS  11   1.666  -2.446   2.819
   95    HD2  HIS  11           HD2      HIS  11   0.803  -1.731   5.473
   96    HE1  HIS  11           HE1      HIS  11  -3.301  -2.377   4.718
   97    HE2  HIS  11           HE2      HIS  11  -1.573  -1.959   6.532
   98    H    VAL  12           HN       VAL  12   1.130  -1.252  -0.394
   99    HA   VAL  12           HA       VAL  12   3.921  -1.516  -0.692
  100    HB   VAL  12           HB       VAL  12   1.768  -0.950  -2.744
  101   HG11  VAL  12          HG11      VAL  12   3.810  -0.225  -3.752
  102   HG12  VAL  12          HG12      VAL  12   3.550  -1.868  -4.341
  103   HG13  VAL  12          HG13      VAL  12   4.714  -1.566  -3.051
  104   HG21  VAL  12          HG21      VAL  12   1.838  -3.143  -1.353
  105   HG22  VAL  12          HG22      VAL  12   3.290  -3.522  -2.277
  106   HG23  VAL  12          HG23      VAL  12   1.752  -3.292  -3.107
  107    H    GLY  13           HN       GLY  13   1.757   1.206  -1.473
  108    HA2  GLY  13           HA2      GLY  13   3.810   2.935  -2.417
  109    HA3  GLY  13           HA1      GLY  13   2.195   3.426  -1.914
  110    H    LYS  14           HN       LYS  14   2.399   2.316   0.738
  111    HA   LYS  14           HA       LYS  14   3.416   4.536   2.134
  112    HB2  LYS  14           HB2      LYS  14   1.721   2.940   3.034
  113    HB3  LYS  14           HB1      LYS  14   2.998   1.740   3.220
  114    HG2  LYS  14           HG2      LYS  14   4.222   3.266   4.727
  115    HG3  LYS  14           HG1      LYS  14   2.950   4.471   4.538
  116    HD2  LYS  14           HD2      LYS  14   1.310   2.887   5.493
  117    HD3  LYS  14           HD1      LYS  14   2.591   1.692   5.695
  118    HE2  LYS  14           HE2      LYS  14   2.264   2.833   7.815
  119    HE3  LYS  14           HE1      LYS  14   3.816   3.334   7.142
  120    HZ1  LYS  14           HZ1      LYS  14   1.745   4.972   7.903
  121    HZ2  LYS  14           HZ2      LYS  14   1.706   4.988   6.205
  122    HZ3  LYS  14           HZ3      LYS  14   3.128   5.424   7.030
  123    H    THR  15           HN       THR  15   4.805   1.298   1.610
  124    HA   THR  15           HA       THR  15   7.175   1.747   3.106
  125    HB   THR  15           HB       THR  15   6.912  -0.146   0.769
  126    HG1  THR  15           HG1      THR  15   6.353  -1.477   2.860
  127   HG21  THR  15          HG21      THR  15   9.142   0.073   1.765
  128   HG22  THR  15          HG22      THR  15   8.452  -1.500   2.163
  129   HG23  THR  15          HG23      THR  15   8.467  -0.214   3.369
  130    H    ILE  16           HN       ILE  16   6.391   2.062  -0.318
  131    HA   ILE  16           HA       ILE  16   8.997   2.711  -1.213
  132    HB   ILE  16           HB       ILE  16   6.278   3.395  -2.358
  133   HG12  ILE  16          HG12      ILE  16   7.260   0.938  -2.157
  134   HG13  ILE  16          HG11      ILE  16   6.488   1.452  -3.651
  135   HG21  ILE  16          HG21      ILE  16   7.710   3.715  -4.497
  136   HG22  ILE  16          HG22      ILE  16   9.067   3.911  -3.390
  137   HG23  ILE  16          HG23      ILE  16   7.703   5.028  -3.316
  138   HD11  ILE  16          HD11      ILE  16   9.460   1.808  -3.270
  139   HD12  ILE  16          HD12      ILE  16   8.546   1.721  -4.769
  140   HD13  ILE  16          HD13      ILE  16   8.804   0.263  -3.812
  141    H    HIS  17           HN       HIS  17   6.267   4.768  -0.237
  142    HA   HIS  17           HA       HIS  17   7.454   7.259  -0.702
  143    HB2  HIS  17           HB2      HIS  17   5.416   6.371   1.346
  144    HB3  HIS  17           HB1      HIS  17   5.892   8.057   1.142
  145    HD2  HIS  17           HD2      HIS  17   2.871   6.605   0.152
  146    HE1  HIS  17           HE1      HIS  17   4.220   7.972  -3.609
  147    HE2  HIS  17           HE2      HIS  17   2.195   7.161  -2.309
  148    H    ARG  18           HN       ARG  18   7.541   5.196   2.184
  149    HA   ARG  18           HA       ARG  18   9.056   6.967   3.797
  150    HB2  ARG  18           HB2      ARG  18   8.681   3.970   3.872
  151    HB3  ARG  18           HB1      ARG  18   9.616   4.850   5.083
  152    HG2  ARG  18           HG2      ARG  18   7.666   6.213   5.646
  153    HG3  ARG  18           HG1      ARG  18   6.722   5.426   4.379
  154    HD2  ARG  18           HD2      ARG  18   6.194   4.411   6.537
  155    HD3  ARG  18           HD1      ARG  18   7.042   3.246   5.526
  156    HE   ARG  18           HE       ARG  18   8.899   3.392   6.962
  157   HH11  ARG  18          HH21      ARG  18   6.455   5.723   7.722
  158   HH12  ARG  18          HH22      ARG  18   7.143   6.147   9.254
  159   HH21  ARG  18          HH11      ARG  18   9.806   3.946   8.969
  160   HH22  ARG  18          HH12      ARG  18   9.040   5.142   9.958
  161    H    LEU  19           HN       LEU  19   9.968   4.376   1.563
  162    HA   LEU  19           HA       LEU  19  12.727   4.358   2.145
  163    HB2  LEU  19           HB2      LEU  19  11.708   2.554   0.862
  164    HB3  LEU  19           HB1      LEU  19  11.268   3.674  -0.424
  165    HG   LEU  19           HG       LEU  19  13.649   4.112  -0.886
  166   HD11  LEU  19          HD11      LEU  19  14.779   3.913   1.165
  167   HD12  LEU  19          HD12      LEU  19  15.281   2.450   0.323
  168   HD13  LEU  19          HD13      LEU  19  14.016   2.373   1.551
  169   HD21  LEU  19          HD21      LEU  19  12.568   2.219  -2.037
  170   HD22  LEU  19          HD22      LEU  19  13.014   1.148  -0.708
  171   HD23  LEU  19          HD23      LEU  19  14.267   1.871  -1.717
  172    H    VAL  20           HN       VAL  20  10.824   6.203  -0.222
  173    HA   VAL  20           HA       VAL  20  12.995   7.499  -1.474
  174    HB   VAL  20           HB       VAL  20  10.111   8.357  -1.134
  175   HG11  VAL  20          HG11      VAL  20  12.391   9.495  -2.761
  176   HG12  VAL  20          HG12      VAL  20  11.312  10.344  -1.655
  177   HG13  VAL  20          HG13      VAL  20  10.706   9.763  -3.205
  178   HG21  VAL  20          HG21      VAL  20  11.484   7.242  -3.587
  179   HG22  VAL  20          HG22      VAL  20   9.754   7.376  -3.271
  180   HG23  VAL  20          HG23      VAL  20  10.723   6.191  -2.392
  181    H    THR  21           HN       THR  21  10.948   8.441   1.273
  182    HA   THR  21           HA       THR  21  12.225  10.966   1.675
  183    HB   THR  21           HB       THR  21  11.054  10.869   3.905
  184    HG1  THR  21           HG1      THR  21  11.000   8.298   3.273
  185   HG21  THR  21          HG21      THR  21  10.014  11.762   1.804
  186   HG22  THR  21          HG22      THR  21   8.841  11.102   2.943
  187   HG23  THR  21          HG23      THR  21   9.317  10.168   1.525
  188    H    GLY  22           HN       GLY  22  13.590   8.079   1.836
  189    HA2  GLY  22           HA2      GLY  22  15.628   7.425   2.730
  190    HA3  GLY  22           HA1      GLY  22  15.683   8.946   3.616
  191    HN1  NH2  23           HT1      GLY  22  13.002   6.814   5.709
  192    HN2  NH2  23           HT2      GLY  22  12.670   7.677   4.245
  Start of MODEL   10
    1    H1   PHE   1           HT1      PHE   1 -11.869 -11.024  -2.222
    2    H2   PHE   1           HT2      PHE   1 -12.235 -10.267  -3.698
    3    H3   PHE   1           HT3      PHE   1 -12.023  -9.337  -2.292
    4    HA   PHE   1           HA       PHE   1  -9.685 -10.545  -2.323
    5    HB2  PHE   1           HB2      PHE   1 -10.527 -10.282  -5.228
    6    HB3  PHE   1           HB1      PHE   1  -8.901 -10.679  -4.663
    7    HD1  PHE   1           HD2      PHE   1  -8.522 -12.777  -3.330
    8    HD2  PHE   1           HD1      PHE   1 -12.255 -11.942  -5.284
    9    HE1  PHE   1           HE2      PHE   1  -9.177 -15.158  -3.096
   10    HE2  PHE   1           HE1      PHE   1 -12.910 -14.322  -5.050
   11    HZ   PHE   1           HZ       PHE   1 -11.372 -15.929  -3.956
   12    H    PHE   2           HN       PHE   2 -11.580  -8.129  -4.108
   13    HA   PHE   2           HA       PHE   2  -9.701  -6.215  -4.589
   14    HB2  PHE   2           HB2      PHE   2 -12.569  -5.825  -3.729
   15    HB3  PHE   2           HB1      PHE   2 -11.566  -4.583  -4.475
   16    HD1  PHE   2           HD1      PHE   2 -10.636  -4.970  -6.794
   17    HD2  PHE   2           HD2      PHE   2 -13.609  -7.524  -5.037
   18    HE1  PHE   2           HE1      PHE   2 -11.200  -5.858  -9.040
   19    HE2  PHE   2           HE2      PHE   2 -14.173  -8.411  -7.282
   20    HZ   PHE   2           HZ       PHE   2 -12.969  -7.579  -9.283
   21    H    HIS   3           HN       HIS   3 -11.286  -6.843  -1.458
   22    HA   HIS   3           HA       HIS   3 -10.598  -4.460  -0.180
   23    HB2  HIS   3           HB2      HIS   3 -10.842  -7.272   0.905
   24    HB3  HIS   3           HB1      HIS   3 -10.643  -5.847   1.923
   25    HD2  HIS   3           HD2      HIS   3 -13.379  -7.449  -0.412
   26    HE1  HIS   3           HE1      HIS   3 -15.129  -4.211   1.655
   27    HE2  HIS   3           HE2      HIS   3 -15.596  -6.171   0.110
   28    H    HIS   4           HN       HIS   4  -8.766  -7.533  -0.206
   29    HA   HIS   4           HA       HIS   4  -6.506  -6.412   1.136
   30    HB2  HIS   4           HB2      HIS   4  -6.996  -8.811   1.230
   31    HB3  HIS   4           HB1      HIS   4  -6.738  -8.941  -0.511
   32    HD2  HIS   4           HD2      HIS   4  -4.212  -9.990  -0.857
   33    HE1  HIS   4           HE1      HIS   4  -2.251  -7.899   2.243
   34    HE2  HIS   4           HE2      HIS   4  -1.934  -9.555   0.344
   35    H    ILE   5           HN       ILE   5  -7.186  -7.215  -2.245
   36    HA   ILE   5           HA       ILE   5  -4.661  -6.493  -3.285
   37    HB   ILE   5           HB       ILE   5  -7.389  -6.614  -4.584
   38   HG12  ILE   5          HG12      ILE   5  -5.018  -8.487  -4.817
   39   HG13  ILE   5          HG11      ILE   5  -6.315  -8.724  -3.645
   40   HG21  ILE   5          HG21      ILE   5  -5.967  -6.766  -6.714
   41   HG22  ILE   5          HG22      ILE   5  -4.639  -6.126  -5.747
   42   HG23  ILE   5          HG23      ILE   5  -6.101  -5.168  -5.981
   43   HD11  ILE   5          HD11      ILE   5  -6.795 -10.032  -5.651
   44   HD12  ILE   5          HD12      ILE   5  -6.623  -8.594  -6.659
   45   HD13  ILE   5          HD13      ILE   5  -7.961  -8.715  -5.518
   46    H    PHE   6           HN       PHE   6  -7.661  -4.612  -2.917
   47    HA   PHE   6           HA       PHE   6  -6.658  -2.265  -4.200
   48    HB2  PHE   6           HB2      PHE   6  -9.088  -2.787  -3.861
   49    HB3  PHE   6           HB1      PHE   6  -8.868  -2.454  -2.142
   50    HD1  PHE   6           HD2      PHE   6  -8.429  -0.954  -5.535
   51    HD2  PHE   6           HD1      PHE   6  -8.937  -0.231  -1.331
   52    HE1  PHE   6           HE2      PHE   6  -8.680   1.472  -5.983
   53    HE2  PHE   6           HE1      PHE   6  -9.188   2.195  -1.779
   54    HZ   PHE   6           HZ       PHE   6  -9.059   3.046  -4.104
   55    H    ARG   7           HN       ARG   7  -6.967  -3.288  -0.828
   56    HA   ARG   7           HA       ARG   7  -5.917  -0.930   0.337
   57    HB2  ARG   7           HB2      ARG   7  -7.274  -2.691   1.514
   58    HB3  ARG   7           HB1      ARG   7  -5.859  -3.733   1.469
   59    HG2  ARG   7           HG2      ARG   7  -5.703  -2.739   3.596
   60    HG3  ARG   7           HG1      ARG   7  -4.625  -1.748   2.619
   61    HD2  ARG   7           HD2      ARG   7  -6.257  -0.003   2.422
   62    HD3  ARG   7           HD1      ARG   7  -7.533  -1.030   3.065
   63    HE   ARG   7           HE       ARG   7  -6.753  -0.591   5.211
   64   HH11  ARG   7          HH21      ARG   7  -4.491   0.461   2.816
   65   HH12  ARG   7          HH22      ARG   7  -3.516   1.358   3.932
   66   HH21  ARG   7          HH11      ARG   7  -5.489   0.588   6.679
   67   HH22  ARG   7          HH12      ARG   7  -4.082   1.430   6.119
   68    H    GLY   8           HN       GLY   8  -4.431  -3.944  -0.757
   69    HA2  GLY   8           HA2      GLY   8  -1.883  -3.681   0.333
   70    HA3  GLY   8           HA1      GLY   8  -2.243  -4.493  -1.187
   71    H    ILE   9           HN       ILE   9  -3.334  -2.116  -2.447
   72    HA   ILE   9           HA       ILE   9  -0.962  -1.071  -3.609
   73    HB   ILE   9           HB       ILE   9  -3.822  -0.083  -3.680
   74   HG12  ILE   9          HG12      ILE   9  -2.174  -1.464  -5.813
   75   HG13  ILE   9          HG11      ILE   9  -3.216  -2.340  -4.692
   76   HG21  ILE   9          HG21      ILE   9  -2.954   1.149  -5.759
   77   HG22  ILE   9          HG22      ILE   9  -1.336   0.864  -5.118
   78   HG23  ILE   9          HG23      ILE   9  -2.493   1.826  -4.196
   79   HD11  ILE   9          HD11      ILE   9  -5.129  -0.891  -5.451
   80   HD12  ILE   9          HD12      ILE   9  -4.479  -1.929  -6.718
   81   HD13  ILE   9          HD13      ILE   9  -4.062  -0.216  -6.681
   82    H    VAL  10           HN       VAL  10  -3.227   0.205  -1.213
   83    HA   VAL  10           HA       VAL  10  -2.093   2.753  -0.896
   84    HB   VAL  10           HB       VAL  10  -3.600   1.022   1.075
   85   HG11  VAL  10          HG11      VAL  10  -2.732   3.918   1.184
   86   HG12  VAL  10          HG12      VAL  10  -2.439   2.655   2.380
   87   HG13  VAL  10          HG13      VAL  10  -4.067   3.294   2.152
   88   HG21  VAL  10          HG21      VAL  10  -4.408   3.263  -0.805
   89   HG22  VAL  10          HG22      VAL  10  -5.466   2.576   0.427
   90   HG23  VAL  10          HG23      VAL  10  -4.899   1.572  -0.907
   91    H    HIS  11           HN       HIS  11  -1.429  -0.280   0.872
   92    HA   HIS  11           HA       HIS  11   0.480   0.844   2.651
   93    HB2  HIS  11           HB2      HIS  11  -0.021  -1.973   1.689
   94    HB3  HIS  11           HB1      HIS  11   1.265  -1.591   2.832
   95    HD2  HIS  11           HD2      HIS  11   0.313  -0.574   5.378
   96    HE1  HIS  11           HE1      HIS  11  -3.679  -1.791   4.750
   97    HE2  HIS  11           HE2      HIS  11  -2.029  -0.934   6.477
   98    H    VAL  12           HN       VAL  12   0.838  -0.909  -0.408
   99    HA   VAL  12           HA       VAL  12   3.565  -1.058  -0.650
  100    HB   VAL  12           HB       VAL  12   1.449  -0.497  -2.732
  101   HG11  VAL  12          HG11      VAL  12   3.392   0.448  -3.737
  102   HG12  VAL  12          HG12      VAL  12   3.294  -1.191  -4.381
  103   HG13  VAL  12          HG13      VAL  12   4.437  -0.817  -3.089
  104   HG21  VAL  12          HG21      VAL  12   3.193  -2.946  -2.423
  105   HG22  VAL  12          HG22      VAL  12   1.620  -2.807  -3.207
  106   HG23  VAL  12          HG23      VAL  12   1.737  -2.745  -1.450
  107    H    GLY  13           HN       GLY  13   1.570   1.812  -0.867
  108    HA2  GLY  13           HA2      GLY  13   3.554   3.520  -2.029
  109    HA3  GLY  13           HA1      GLY  13   2.096   4.040  -1.191
  110    H    LYS  14           HN       LYS  14   2.611   2.693   1.245
  111    HA   LYS  14           HA       LYS  14   4.127   4.658   2.609
  112    HB2  LYS  14           HB2      LYS  14   2.906   2.035   3.398
  113    HB3  LYS  14           HB1      LYS  14   4.023   2.817   4.512
  114    HG2  LYS  14           HG2      LYS  14   1.732   3.503   5.020
  115    HG3  LYS  14           HG1      LYS  14   2.645   4.884   4.412
  116    HD2  LYS  14           HD2      LYS  14   1.659   4.614   2.198
  117    HD3  LYS  14           HD1      LYS  14   0.819   3.154   2.722
  118    HE2  LYS  14           HE2      LYS  14  -0.450   4.459   4.372
  119    HE3  LYS  14           HE1      LYS  14   0.411   5.922   3.892
  120    HZ1  LYS  14           HZ1      LYS  14  -0.761   6.097   1.992
  121    HZ2  LYS  14           HZ2      LYS  14  -1.916   5.195   2.851
  122    HZ3  LYS  14           HZ3      LYS  14  -0.871   4.422   1.756
  123    H    THR  15           HN       THR  15   4.995   1.338   1.616
  124    HA   THR  15           HA       THR  15   7.532   1.325   2.896
  125    HB   THR  15           HB       THR  15   8.007  -0.493   1.130
  126    HG1  THR  15           HG1      THR  15   6.552  -0.774  -0.343
  127   HG21  THR  15          HG21      THR  15   7.226  -0.969   3.423
  128   HG22  THR  15          HG22      THR  15   6.502  -2.080   2.258
  129   HG23  THR  15          HG23      THR  15   5.557  -0.737   2.900
  130    H    ILE  16           HN       ILE  16   6.568   2.032  -0.438
  131    HA   ILE  16           HA       ILE  16   9.217   2.704  -1.317
  132    HB   ILE  16           HB       ILE  16   6.459   3.098  -2.469
  133   HG12  ILE  16          HG12      ILE  16   7.235   1.562  -4.149
  134   HG13  ILE  16          HG11      ILE  16   8.908   1.738  -3.628
  135   HG21  ILE  16          HG21      ILE  16   9.046   4.348  -3.393
  136   HG22  ILE  16          HG22      ILE  16   7.460   5.100  -3.225
  137   HG23  ILE  16          HG23      ILE  16   7.763   3.969  -4.542
  138   HD11  ILE  16          HD11      ILE  16   8.532   0.502  -1.635
  139   HD12  ILE  16          HD12      ILE  16   7.667  -0.392  -2.885
  140   HD13  ILE  16          HD13      ILE  16   6.784   0.651  -1.780
  141    H    HIS  17           HN       HIS  17   6.416   4.656  -0.320
  142    HA   HIS  17           HA       HIS  17   7.540   7.179  -0.696
  143    HB2  HIS  17           HB2      HIS  17   5.164   6.833  -0.158
  144    HB3  HIS  17           HB1      HIS  17   5.606   6.341   1.479
  145    HD2  HIS  17           HD2      HIS  17   5.428   9.620  -0.685
  146    HE1  HIS  17           HE1      HIS  17   6.323  10.718   3.291
  147    HE2  HIS  17           HE2      HIS  17   5.724  11.603   0.989
  148    H    ARG  18           HN       ARG  18   7.667   5.092   2.197
  149    HA   ARG  18           HA       ARG  18   9.094   6.878   3.833
  150    HB2  ARG  18           HB2      ARG  18   7.968   4.831   4.658
  151    HB3  ARG  18           HB1      ARG  18   9.191   3.852   3.847
  152    HG2  ARG  18           HG2      ARG  18  10.954   4.863   5.210
  153    HG3  ARG  18           HG1      ARG  18   9.777   5.931   5.975
  154    HD2  ARG  18           HD2      ARG  18  10.211   4.038   7.446
  155    HD3  ARG  18           HD1      ARG  18   8.565   3.928   6.828
  156    HE   ARG  18           HE       ARG  18  10.333   2.483   5.137
  157   HH11  ARG  18          HH21      ARG  18   8.843   2.430   8.260
  158   HH12  ARG  18          HH22      ARG  18   8.826   0.702   8.375
  159   HH21  ARG  18          HH11      ARG  18  10.313   0.217   5.278
  160   HH22  ARG  18          HH12      ARG  18   9.658  -0.552   6.687
  161    H    LEU  19           HN       LEU  19  10.204   4.366   1.586
  162    HA   LEU  19           HA       LEU  19  12.953   4.579   2.138
  163    HB2  LEU  19           HB2      LEU  19  12.023   2.701   0.879
  164    HB3  LEU  19           HB1      LEU  19  11.551   3.784  -0.426
  165    HG   LEU  19           HG       LEU  19  13.904   4.322  -0.873
  166   HD11  LEU  19          HD11      LEU  19  14.339   2.658   1.605
  167   HD12  LEU  19          HD12      LEU  19  15.033   4.225   1.183
  168   HD13  LEU  19          HD13      LEU  19  15.606   2.767   0.381
  169   HD21  LEU  19          HD21      LEU  19  14.656   2.009  -1.548
  170   HD22  LEU  19          HD22      LEU  19  13.015   2.410  -2.054
  171   HD23  LEU  19          HD23      LEU  19  13.275   1.364  -0.658
  172    H    VAL  20           HN       VAL  20  10.905   6.264  -0.227
  173    HA   VAL  20           HA       VAL  20  12.962   7.705  -1.513
  174    HB   VAL  20           HB       VAL  20  10.033   8.364  -1.118
  175   HG11  VAL  20          HG11      VAL  20  10.452   9.860  -3.137
  176   HG12  VAL  20          HG12      VAL  20  12.175   9.666  -2.813
  177   HG13  VAL  20          HG13      VAL  20  11.135  10.435  -1.616
  178   HG21  VAL  20          HG21      VAL  20  11.447   7.386  -3.606
  179   HG22  VAL  20          HG22      VAL  20   9.717   7.395  -3.270
  180   HG23  VAL  20          HG23      VAL  20  10.775   6.269  -2.420
  181    H    THR  21           HN       THR  21  10.904   8.496   1.272
  182    HA   THR  21           HA       THR  21  12.043  11.084   1.698
  183    HB   THR  21           HB       THR  21  10.515   9.302   3.614
  184    HG1  THR  21           HG1      THR  21   8.746  10.482   2.891
  185   HG21  THR  21          HG21      THR  21   9.916  11.720   4.474
  186   HG22  THR  21          HG22      THR  21  11.433  12.166   3.697
  187   HG23  THR  21          HG23      THR  21  11.421  10.961   4.985
  188    H    GLY  22           HN       GLY  22  13.451   8.172   1.877
  189    HA2  GLY  22           HA2      GLY  22  14.779   8.239   4.409
  190    HA3  GLY  22           HA1      GLY  22  15.239   7.258   3.020
  191    HN1  NH2  23           HT1      GLY  22  16.625  10.888   2.018
  192    HN2  NH2  23           HT2      GLY  22  14.983  10.364   1.850