*HEADER    ANTIMICROBIAL PROTEIN                   27-AUG-13   2MCU              
*TITLE     SOLID-STATE NMR STRUCTURE OF PISCIDIN 1 IN ALIGNED 3:1                
*TITLE    2 PHOSPHATIDYLCHOLINE/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 2MCU    0                                                


Seq res N
1 PHE 20.0
2 PHE 72.9
3 HIS 50.0
4 HIS 61.9
5 ILE 49.6
6 PHE 63.7
7 ARG 50.7
8 GLY 45.6
9 ILE 57.3
10 VAL 54.0
11 HIS 63.1
12 VAL 47.6
13 GLY 43.7
14 LYS 56.7
15 THR 66.6
16 ILE 39.9
17 HIS 58.6
18 ARG 65.6
19 LEU 53.6
20 VAL 48.4
21 THR 47.8
22 GLY 131.4

seq res Dipolar_coupling
1 PHE n/a
2 PHE 2.90
3 HIS 4.10
4 HIS 3.95
5 ILE 4.35
6 PHE 4.25
7 ARG 4.95
8 GLY 3.70
9 ILE 4.85
10 VAL 4.50
11 HIS 4.98
12 VAL 3.45
13 GLY 4.15
14 LYS 4.90
15 THR 2.90
16 ILE 5.10
17 HIS 4.90
18 ARG 4.75
19 LEU 2.65
20 VAL 4.70
21 THR 4.60
22 GLY -1.00


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           HT1      PHE   1  14.703   0.063   0.102
    2    H2   PHE   1           HT2      PHE   1  14.396   1.428   1.066
    3    H3   PHE   1           HT3      PHE   1  15.966   1.124   0.497
    4    HA   PHE   1           HA       PHE   1  14.276   2.825  -0.666
    5    HB2  PHE   1           HB2      PHE   1  16.662   2.620  -1.163
    6    HB3  PHE   1           HB1      PHE   1  16.382   1.083  -1.982
    7    HD1  PHE   1           HD1      PHE   1  15.541   4.717  -2.082
    8    HD2  PHE   1           HD2      PHE   1  15.703   1.015  -4.255
    9    HE1  PHE   1           HE1      PHE   1  15.042   5.931  -4.186
   10    HE2  PHE   1           HE2      PHE   1  15.204   2.229  -6.359
   11    HZ   PHE   1           HZ       PHE   1  14.873   4.687  -6.325
   12    H    PHE   2           HN       PHE   2  14.779  -0.508  -1.853
   13    HA   PHE   2           HA       PHE   2  12.708  -0.324  -3.820
   14    HB2  PHE   2           HB2      PHE   2  14.152  -2.698  -2.619
   15    HB3  PHE   2           HB1      PHE   2  13.003  -2.816  -3.953
   16    HD1  PHE   2           HD1      PHE   2  13.479  -1.678  -6.124
   17    HD2  PHE   2           HD2      PHE   2  16.366  -1.826  -2.947
   18    HE1  PHE   2           HE1      PHE   2  15.267  -1.043  -7.720
   19    HE2  PHE   2           HE2      PHE   2  18.155  -1.192  -4.544
   20    HZ   PHE   2           HZ       PHE   2  17.605  -0.800  -6.930
   21    H    HIS   3           HN       HIS   3  12.954  -1.859  -0.647
   22    HA   HIS   3           HA       HIS   3  10.319  -2.896  -0.567
   23    HB2  HIS   3           HB2      HIS   3  12.234  -2.170   1.661
   24    HB3  HIS   3           HB1      HIS   3  10.702  -3.009   1.910
   25    HD2  HIS   3           HD2      HIS   3  11.954  -5.481   2.556
   26    HE1  HIS   3           HE1      HIS   3  13.787  -6.042  -1.206
   27    HE2  HIS   3           HE2      HIS   3  13.260  -7.142   1.022
   28    H    HIS   4           HN       HIS   4  11.684   0.216   0.364
   29    HA   HIS   4           HA       HIS   4   9.408   1.194   1.766
   30    HB2  HIS   4           HB2      HIS   4  11.663   2.195   1.964
   31    HB3  HIS   4           HB1      HIS   4  11.550   2.747   0.293
   32    HD2  HIS   4           HD2      HIS   4  10.448   5.271   0.100
   33    HE1  HIS   4           HE1      HIS   4   8.418   5.327   3.801
   34    HE2  HIS   4           HE2      HIS   4   8.985   6.688   1.733
   35    H    ILE   5           HN       ILE   5  10.521   1.559  -1.577
   36    HA   ILE   5           HA       ILE   5   8.393   3.210  -2.456
   37    HB   ILE   5           HB       ILE   5  10.220   1.331  -3.972
   38   HG12  ILE   5          HG12      ILE   5  10.174   4.358  -3.900
   39   HG13  ILE   5          HG11      ILE   5  11.137   3.404  -2.772
   40   HG21  ILE   5          HG21      ILE   5   8.109   3.276  -4.931
   41   HG22  ILE   5          HG22      ILE   5   8.292   1.576  -5.361
   42   HG23  ILE   5          HG23      ILE   5   9.450   2.766  -5.956
   43   HD11  ILE   5          HD11      ILE   5  11.318   3.168  -5.789
   44   HD12  ILE   5          HD12      ILE   5  12.358   2.376  -4.606
   45   HD13  ILE   5          HD13      ILE   5  12.421   4.128  -4.803
   46    H    PHE   6           HN       PHE   6   8.843  -0.310  -2.507
   47    HA   PHE   6           HA       PHE   6   6.419  -0.915  -3.869
   48    HB2  PHE   6           HB2      PHE   6   8.396  -2.459  -3.603
   49    HB3  PHE   6           HB1      PHE   6   7.894  -2.705  -1.930
   50    HD1  PHE   6           HD1      PHE   6   5.749  -3.818  -1.406
   51    HD2  PHE   6           HD2      PHE   6   7.120  -3.362  -5.452
   52    HE1  PHE   6           HE1      PHE   6   4.085  -5.497  -2.160
   53    HE2  PHE   6           HE2      PHE   6   5.456  -5.039  -6.205
   54    HZ   PHE   6           HZ       PHE   6   3.940  -6.107  -4.560
   55    H    ARG   7           HN       ARG   7   7.300  -0.614  -0.488
   56    HA   ARG   7           HA       ARG   7   4.956  -1.603   0.697
   57    HB2  ARG   7           HB2      ARG   7   7.029  -1.071   1.956
   58    HB3  ARG   7           HB1      ARG   7   6.708   0.647   1.722
   59    HG2  ARG   7           HG2      ARG   7   4.566   0.421   2.921
   60    HG3  ARG   7           HG1      ARG   7   4.866  -1.303   3.138
   61    HD2  ARG   7           HD2      ARG   7   6.975  -0.712   4.366
   62    HD3  ARG   7           HD1      ARG   7   6.507   0.983   4.260
   63    HE   ARG   7           HE       ARG   7   4.374  -0.495   5.385
   64   HH11  ARG   7          HH21      ARG   7   7.593   0.581   6.058
   65   HH12  ARG   7          HH22      ARG   7   7.357   0.656   7.773
   66   HH21  ARG   7          HH11      ARG   7   4.057  -0.400   7.632
   67   HH22  ARG   7          HH12      ARG   7   5.355   0.101   8.663
   68    H    GLY   8           HN       GLY   8   5.738   1.637  -0.505
   69    HA2  GLY   8           HA2      GLY   8   3.453   2.990   0.426
   70    HA3  GLY   8           HA1      GLY   8   4.424   3.459  -0.966
   71    H    ILE   9           HN       ILE   9   3.996   0.956  -2.368
   72    HA   ILE   9           HA       ILE   9   1.644   1.639  -3.828
   73    HB   ILE   9           HB       ILE   9   3.071  -1.031  -3.830
   74   HG12  ILE   9          HG12      ILE   9   4.710   0.714  -4.221
   75   HG13  ILE   9          HG11      ILE   9   4.348  -0.058  -5.758
   76   HG21  ILE   9          HG21      ILE   9   1.346   0.397  -5.874
   77   HG22  ILE   9          HG22      ILE   9   0.914  -1.058  -4.975
   78   HG23  ILE   9          HG23      ILE   9   2.213  -1.110  -6.167
   79   HD11  ILE   9          HD11      ILE   9   4.282   2.228  -6.293
   80   HD12  ILE   9          HD12      ILE   9   3.514   2.661  -4.769
   81   HD13  ILE   9          HD13      ILE   9   2.581   1.852  -6.027
   82    H    VAL  10           HN       VAL  10   2.338  -0.906  -1.464
   83    HA   VAL  10           HA       VAL  10  -0.192  -2.150  -1.525
   84    HB   VAL  10           HB       VAL  10   1.578  -1.950   0.914
   85   HG11  VAL  10          HG11      VAL  10  -0.053  -4.293  -0.076
   86   HG12  VAL  10          HG12      VAL  10  -0.762  -3.040   0.943
   87   HG13  VAL  10          HG13      VAL  10   0.584  -4.009   1.543
   88   HG21  VAL  10          HG21      VAL  10   1.865  -3.637  -1.585
   89   HG22  VAL  10          HG22      VAL  10   2.633  -4.061  -0.055
   90   HG23  VAL  10          HG23      VAL  10   3.062  -2.556  -0.871
   91    H    HIS  11           HN       HIS  11   1.072   0.504   0.463
   92    HA   HIS  11           HA       HIS  11  -1.119   0.822   2.187
   93    HB2  HIS  11           HB2      HIS  11   0.900   2.794   1.109
   94    HB3  HIS  11           HB1      HIS  11  -0.323   3.244   2.297
   95    HD2  HIS  11           HD2      HIS  11   1.700  -0.164   2.421
   96    HE1  HIS  11           HE1      HIS  11   2.601   2.077   5.881
   97    HE2  HIS  11           HE2      HIS  11   2.953  -0.149   4.711
   98    H    VAL  12           HN       VAL  12  -0.507   2.141  -1.037
   99    HA   VAL  12           HA       VAL  12  -2.734   3.858  -1.193
  100    HB   VAL  12           HB       VAL  12  -1.244   2.353  -3.357
  101   HG11  VAL  12          HG11      VAL  12  -3.481   4.381  -3.509
  102   HG12  VAL  12          HG12      VAL  12  -3.344   2.836  -4.349
  103   HG13  VAL  12          HG13      VAL  12  -2.321   4.192  -4.825
  104   HG21  VAL  12          HG21      VAL  12  -0.086   4.142  -1.942
  105   HG22  VAL  12          HG22      VAL  12  -1.209   5.299  -2.653
  106   HG23  VAL  12          HG23      VAL  12  -0.079   4.419  -3.683
  107    H    GLY  13           HN       GLY  13  -2.417   0.394  -1.616
  108    HA2  GLY  13           HA2      GLY  13  -5.032   0.031  -2.768
  109    HA3  GLY  13           HA1      GLY  13  -3.969  -1.240  -2.173
  110    H    LYS  14           HN       LYS  14  -3.658   0.019   0.464
  111    HA   LYS  14           HA       LYS  14  -5.793  -1.262   1.807
  112    HB2  LYS  14           HB2      LYS  14  -3.714   0.701   2.773
  113    HB3  LYS  14           HB1      LYS  14  -4.855  -0.115   3.842
  114    HG2  LYS  14           HG2      LYS  14  -4.021  -2.307   3.030
  115    HG3  LYS  14           HG1      LYS  14  -2.848  -1.467   2.014
  116    HD2  LYS  14           HD2      LYS  14  -1.848  -0.431   4.019
  117    HD3  LYS  14           HD1      LYS  14  -3.018  -1.270   5.036
  118    HE2  LYS  14           HE2      LYS  14  -2.154  -3.443   4.234
  119    HE3  LYS  14           HE1      LYS  14  -0.970  -2.598   3.235
  120    HZ1  LYS  14           HZ1      LYS  14  -0.251  -1.498   5.389
  121    HZ2  LYS  14           HZ2      LYS  14   0.162  -3.133   5.185
  122    HZ3  LYS  14           HZ3      LYS  14  -1.143  -2.701   6.184
  123    H    THR  15           HN       THR  15  -5.121   2.204   1.272
  124    HA   THR  15           HA       THR  15  -7.427   3.101   2.695
  125    HB   THR  15           HB       THR  15  -5.354   4.471   2.175
  126    HG1  THR  15           HG1      THR  15  -6.725   6.358   1.644
  127   HG21  THR  15          HG21      THR  15  -5.105   5.477   0.040
  128   HG22  THR  15          HG22      THR  15  -6.711   4.958  -0.474
  129   HG23  THR  15          HG23      THR  15  -5.422   3.775  -0.285
  130    H    ILE  16           HN       ILE  16  -6.735   2.533  -0.731
  131    HA   ILE  16           HA       ILE  16  -9.216   3.461  -1.736
  132    HB   ILE  16           HB       ILE  16  -7.240   1.447  -2.830
  133   HG12  ILE  16          HG12      ILE  16  -7.837   4.293  -3.685
  134   HG13  ILE  16          HG11      ILE  16  -6.558   3.876  -2.545
  135   HG21  ILE  16          HG21      ILE  16  -8.465   1.977  -5.026
  136   HG22  ILE  16          HG22      ILE  16  -9.767   2.609  -4.021
  137   HG23  ILE  16          HG23      ILE  16  -9.302   0.913  -3.897
  138   HD11  ILE  16          HD11      ILE  16  -5.532   4.009  -4.713
  139   HD12  ILE  16          HD12      ILE  16  -6.796   3.016  -5.438
  140   HD13  ILE  16          HD13      ILE  16  -5.645   2.296  -4.312
  141    H    HIS  17           HN       HIS  17  -8.108   0.219  -0.784
  142    HA   HIS  17           HA       HIS  17 -10.524  -1.122  -1.430
  143    HB2  HIS  17           HB2      HIS  17  -8.360  -2.285  -1.117
  144    HB3  HIS  17           HB1      HIS  17  -8.420  -1.900   0.604
  145    HD2  HIS  17           HD2      HIS  17  -9.862  -3.736   2.103
  146    HE1  HIS  17           HE1      HIS  17 -11.823  -5.676  -1.093
  147    HE2  HIS  17           HE2      HIS  17 -11.443  -5.698   1.418
  148    H    ARG  18           HN       ARG  18  -9.343   0.463   1.478
  149    HA   ARG  18           HA       ARG  18 -11.358  -0.442   3.252
  150    HB2  ARG  18           HB2      ARG  18  -9.253   0.650   3.989
  151    HB3  ARG  18           HB1      ARG  18  -9.840   2.178   3.334
  152    HG2  ARG  18           HG2      ARG  18 -11.782   2.094   4.853
  153    HG3  ARG  18           HG1      ARG  18 -11.208   0.558   5.504
  154    HD2  ARG  18           HD2      ARG  18  -9.077   1.722   6.165
  155    HD3  ARG  18           HD1      ARG  18  -9.814   3.243   5.670
  156    HE   ARG  18           HE       ARG  18 -11.454   1.802   7.537
  157   HH11  ARG  18          HH21      ARG  18  -8.702   3.867   7.169
  158   HH12  ARG  18          HH22      ARG  18  -8.821   4.539   8.761
  159   HH21  ARG  18          HH11      ARG  18 -11.617   2.679   9.625
  160   HH22  ARG  18          HH12      ARG  18 -10.472   3.868  10.151
  161    H    LEU  19           HN       LEU  19 -11.120   2.475   1.231
  162    HA   LEU  19           HA       LEU  19 -13.601   3.593   2.034
  163    HB2  LEU  19           HB2      LEU  19 -11.936   3.967  -0.463
  164    HB3  LEU  19           HB1      LEU  19 -13.368   4.925  -0.098
  165    HG   LEU  19           HG       LEU  19 -11.040   4.680   1.825
  166   HD11  LEU  19          HD11      LEU  19 -10.461   7.014   0.937
  167   HD12  LEU  19          HD12      LEU  19 -11.500   6.634  -0.437
  168   HD13  LEU  19          HD13      LEU  19 -10.067   5.655  -0.117
  169   HD21  LEU  19          HD21      LEU  19 -12.906   5.547   2.999
  170   HD22  LEU  19          HD22      LEU  19 -13.475   6.464   1.607
  171   HD23  LEU  19          HD23      LEU  19 -12.049   6.998   2.491
  172    H    VAL  20           HN       VAL  20 -12.692   1.544  -0.717
  173    HA   VAL  20           HA       VAL  20 -15.271   1.499  -1.909
  174    HB   VAL  20           HB       VAL  20 -12.950  -0.434  -2.106
  175   HG11  VAL  20          HG11      VAL  20 -14.895  -1.657  -2.768
  176   HG12  VAL  20          HG12      VAL  20 -14.154  -1.087  -4.264
  177   HG13  VAL  20          HG13      VAL  20 -15.570  -0.263  -3.610
  178   HG21  VAL  20          HG21      VAL  20 -12.419   0.739  -4.132
  179   HG22  VAL  20          HG22      VAL  20 -12.675   1.974  -2.900
  180   HG23  VAL  20          HG23      VAL  20 -13.936   1.637  -4.085
  181    H    THR  21           HN       THR  21 -13.603  -0.781   0.269
  182    HA   THR  21           HA       THR  21 -15.868  -2.535   0.467
  183    HB   THR  21           HB       THR  21 -13.405  -2.353   2.219
  184    HG1  THR  21           HG1      THR  21 -13.556  -4.388   0.440
  185   HG21  THR  21          HG21      THR  21 -14.895  -3.713   3.406
  186   HG22  THR  21          HG22      THR  21 -14.049  -4.891   2.405
  187   HG23  THR  21          HG23      THR  21 -15.655  -4.336   1.941
  188    H    GLY  22           HN       GLY  22 -15.407   0.518   1.618
  189    HA2  GLY  22           HA2      GLY  22 -16.666   1.742   3.117
  190    HA3  GLY  22           HA1      GLY  22 -17.518   0.263   3.553
  191    HN1  NH2  23           HT1      GLY  22 -13.997  -0.166   5.434
  192    HN2  NH2  23           HT2      GLY  22 -14.279  -0.493   3.757
  Start of MODEL    2
    1    H1   PHE   1           HT1      PHE   1  15.432   0.891  -0.161
    2    H2   PHE   1           HT2      PHE   1  13.989   1.366   0.600
    3    H3   PHE   1           HT3      PHE   1  15.368   2.353   0.697
    4    HA   PHE   1           HA       PHE   1  13.925   3.340  -0.887
    5    HB2  PHE   1           HB2      PHE   1  16.306   3.376  -1.464
    6    HB3  PHE   1           HB1      PHE   1  16.162   1.790  -2.227
    7    HD1  PHE   1           HD1      PHE   1  14.826   5.280  -2.374
    8    HD2  PHE   1           HD2      PHE   1  15.514   1.606  -4.490
    9    HE1  PHE   1           HE1      PHE   1  14.120   6.365  -4.489
   10    HE2  PHE   1           HE2      PHE   1  14.807   2.690  -6.605
   11    HZ   PHE   1           HZ       PHE   1  14.110   5.071  -6.604
   12    H    PHE   2           HN       PHE   2  14.754   0.029  -1.933
   13    HA   PHE   2           HA       PHE   2  12.631  -0.111  -3.847
   14    HB2  PHE   2           HB2      PHE   2  14.753  -1.479  -3.896
   15    HB3  PHE   2           HB1      PHE   2  14.086  -2.435  -2.572
   16    HD1  PHE   2           HD1      PHE   2  13.393  -1.275  -6.050
   17    HD2  PHE   2           HD2      PHE   2  12.521  -4.167  -2.997
   18    HE1  PHE   2           HE1      PHE   2  12.082  -2.604  -7.683
   19    HE2  PHE   2           HE2      PHE   2  11.210  -5.495  -4.629
   20    HZ   PHE   2           HZ       PHE   2  10.992  -4.714  -6.974
   21    H    HIS   3           HN       HIS   3  13.105  -1.413  -0.600
   22    HA   HIS   3           HA       HIS   3  10.603  -2.725  -0.399
   23    HB2  HIS   3           HB2      HIS   3  12.535  -1.716   1.692
   24    HB3  HIS   3           HB1      HIS   3  11.054  -2.582   2.100
   25    HD2  HIS   3           HD2      HIS   3  11.290  -5.340   1.940
   26    HE1  HIS   3           HE1      HIS   3  14.926  -5.485  -0.201
   27    HE2  HIS   3           HE2      HIS   3  13.166  -6.883   0.982
   28    H    HIS   4           HN       HIS   4  11.641   0.559   0.355
   29    HA   HIS   4           HA       HIS   4   9.299   1.353   1.756
   30    HB2  HIS   4           HB2      HIS   4  11.353   2.945   0.205
   31    HB3  HIS   4           HB1      HIS   4  10.074   3.675   1.177
   32    HD2  HIS   4           HD2      HIS   4  10.339   3.218   4.019
   33    HE1  HIS   4           HE1      HIS   4  14.296   1.767   3.779
   34    HE2  HIS   4           HE2      HIS   4  12.482   2.570   5.363
   35    H    ILE   5           HN       ILE   5  10.279   1.629  -1.634
   36    HA   ILE   5           HA       ILE   5   7.955   2.986  -2.533
   37    HB   ILE   5           HB       ILE   5   9.948   1.252  -4.007
   38   HG12  ILE   5          HG12      ILE   5   9.553   4.254  -4.056
   39   HG13  ILE   5          HG11      ILE   5  10.673   3.458  -2.952
   40   HG21  ILE   5          HG21      ILE   5   7.982   1.195  -5.352
   41   HG22  ILE   5          HG22      ILE   5   8.965   2.489  -6.034
   42   HG23  ILE   5          HG23      ILE   5   7.595   2.877  -4.992
   43   HD11  ILE   5          HD11      ILE   5  11.963   2.565  -4.771
   44   HD12  ILE   5          HD12      ILE   5  11.710   4.276  -5.120
   45   HD13  ILE   5          HD13      ILE   5  10.746   3.053  -5.950
   46    H    PHE   6           HN       PHE   6   8.797  -0.467  -2.413
   47    HA   PHE   6           HA       PHE   6   6.469  -1.425  -3.711
   48    HB2  PHE   6           HB2      PHE   6   8.467  -2.807  -3.413
   49    HB3  PHE   6           HB1      PHE   6   8.239  -2.784  -1.664
   50    HD1  PHE   6           HD1      PHE   6   6.644  -3.819  -4.874
   51    HD2  PHE   6           HD2      PHE   6   6.737  -4.289  -0.605
   52    HE1  PHE   6           HE1      PHE   6   5.093  -5.744  -5.053
   53    HE2  PHE   6           HE2      PHE   6   5.185  -6.215  -0.784
   54    HZ   PHE   6           HZ       PHE   6   4.363  -6.943  -3.008
   55    H    ARG   7           HN       ARG   7   7.268  -0.978  -0.303
   56    HA   ARG   7           HA       ARG   7   4.818  -1.952   0.750
   57    HB2  ARG   7           HB2      ARG   7   6.914  -0.101   1.888
   58    HB3  ARG   7           HB1      ARG   7   5.488  -0.598   2.798
   59    HG2  ARG   7           HG2      ARG   7   6.104  -2.944   2.572
   60    HG3  ARG   7           HG1      ARG   7   7.472  -2.522   1.546
   61    HD2  ARG   7           HD2      ARG   7   8.492  -1.266   3.396
   62    HD3  ARG   7           HD1      ARG   7   7.108  -1.633   4.422
   63    HE   ARG   7           HE       ARG   7   8.055  -4.087   3.579
   64   HH11  ARG   7          HH21      ARG   7   9.302  -1.308   5.222
   65   HH12  ARG   7          HH22      ARG   7  10.446  -2.208   6.162
   66   HH21  ARG   7          HH11      ARG   7   9.552  -5.272   4.809
   67   HH22  ARG   7          HH12      ARG   7  10.587  -4.452   5.928
   68    H    GLY   8           HN       GLY   8   5.867   1.274  -0.249
   69    HA2  GLY   8           HA2      GLY   8   3.630   2.706   0.739
   70    HA3  GLY   8           HA1      GLY   8   4.714   3.236  -0.542
   71    H    ILE   9           HN       ILE   9   4.243   0.956  -2.236
   72    HA   ILE   9           HA       ILE   9   1.989   1.919  -3.692
   73    HB   ILE   9           HB       ILE   9   3.631  -0.608  -3.966
   74   HG12  ILE   9          HG12      ILE   9   4.506   1.841  -4.481
   75   HG13  ILE   9          HG11      ILE   9   4.842   0.535  -5.610
   76   HG21  ILE   9          HG21      ILE   9   1.561  -1.227  -4.926
   77   HG22  ILE   9          HG22      ILE   9   2.504  -0.642  -6.297
   78   HG23  ILE   9          HG23      ILE   9   1.275   0.392  -5.565
   79   HD11  ILE   9          HD11      ILE   9   2.377   2.246  -5.933
   80   HD12  ILE   9          HD12      ILE   9   3.210   1.272  -7.141
   81   HD13  ILE   9          HD13      ILE   9   3.934   2.774  -6.566
   82    H    VAL  10           HN       VAL  10   2.502  -0.926  -1.657
   83    HA   VAL  10           HA       VAL  10  -0.054  -2.078  -2.010
   84    HB   VAL  10           HB       VAL  10   1.805  -2.284   0.372
   85   HG11  VAL  10          HG11      VAL  10  -0.549  -3.952  -0.555
   86   HG12  VAL  10          HG12      VAL  10  -0.413  -3.058   0.959
   87   HG13  VAL  10          HG13      VAL  10   0.598  -4.475   0.678
   88   HG21  VAL  10          HG21      VAL  10   2.657  -4.280  -0.723
   89   HG22  VAL  10          HG22      VAL  10   2.784  -2.931  -1.851
   90   HG23  VAL  10          HG23      VAL  10   1.487  -4.110  -2.032
   91    H    HIS  11           HN       HIS  11   1.184   0.274   0.316
   92    HA   HIS  11           HA       HIS  11  -0.997   0.384   2.067
   93    HB2  HIS  11           HB2      HIS  11   0.952   2.521   1.189
   94    HB3  HIS  11           HB1      HIS  11  -0.241   2.770   2.466
   95    HD2  HIS  11           HD2      HIS  11   0.855  -0.790   2.869
   96    HE1  HIS  11           HE1      HIS  11   3.614   1.420   5.176
   97    HE2  HIS  11           HE2      HIS  11   2.725  -0.908   4.687
   98    H    VAL  12           HN       VAL  12  -0.426   2.077  -0.986
   99    HA   VAL  12           HA       VAL  12  -2.660   3.774  -0.960
  100    HB   VAL  12           HB       VAL  12  -1.240   2.459  -3.289
  101   HG11  VAL  12          HG11      VAL  12  -2.320   4.409  -4.565
  102   HG12  VAL  12          HG12      VAL  12  -3.417   4.557  -3.192
  103   HG13  VAL  12          HG13      VAL  12  -3.383   3.069  -4.137
  104   HG21  VAL  12          HG21      VAL  12   0.192   3.960  -2.049
  105   HG22  VAL  12          HG22      VAL  12  -1.072   5.183  -1.966
  106   HG23  VAL  12          HG23      VAL  12  -0.315   4.801  -3.511
  107    H    GLY  13           HN       GLY  13  -2.375   0.358  -1.647
  108    HA2  GLY  13           HA2      GLY  13  -4.983   0.082  -2.832
  109    HA3  GLY  13           HA1      GLY  13  -3.936  -1.229  -2.296
  110    H    LYS  14           HN       LYS  14  -3.645  -0.095   0.398
  111    HA   LYS  14           HA       LYS  14  -5.779  -1.441   1.670
  112    HB2  LYS  14           HB2      LYS  14  -3.768   0.552   2.730
  113    HB3  LYS  14           HB1      LYS  14  -4.914  -0.316   3.753
  114    HG2  LYS  14           HG2      LYS  14  -4.005  -2.469   2.909
  115    HG3  LYS  14           HG1      LYS  14  -2.828  -1.575   1.944
  116    HD2  LYS  14           HD2      LYS  14  -1.896  -0.570   3.991
  117    HD3  LYS  14           HD1      LYS  14  -3.077  -1.448   4.963
  118    HE2  LYS  14           HE2      LYS  14  -2.158  -3.588   4.152
  119    HE3  LYS  14           HE1      LYS  14  -0.973  -2.714   3.183
  120    HZ1  LYS  14           HZ1      LYS  14   0.208  -2.096   5.006
  121    HZ2  LYS  14           HZ2      LYS  14  -0.422  -3.563   5.592
  122    HZ3  LYS  14           HZ3      LYS  14  -1.141  -2.089   6.035
  123    H    THR  15           HN       THR  15  -5.175   2.011   1.118
  124    HA   THR  15           HA       THR  15  -7.492   2.908   2.521
  125    HB   THR  15           HB       THR  15  -5.755   4.507   2.240
  126    HG1  THR  15           HG1      THR  15  -8.168   4.917   1.311
  127   HG21  THR  15          HG21      THR  15  -5.972   3.992  -0.731
  128   HG22  THR  15          HG22      THR  15  -4.653   3.451   0.300
  129   HG23  THR  15          HG23      THR  15  -4.906   5.172   0.022
  130    H    ILE  16           HN       ILE  16  -6.817   2.156  -0.882
  131    HA   ILE  16           HA       ILE  16  -9.268   3.091  -1.944
  132    HB   ILE  16           HB       ILE  16  -7.358   0.943  -2.885
  133   HG12  ILE  16          HG12      ILE  16  -7.921   3.702  -4.004
  134   HG13  ILE  16          HG11      ILE  16  -6.645   3.380  -2.836
  135   HG21  ILE  16          HG21      ILE  16  -9.878   2.028  -4.162
  136   HG22  ILE  16          HG22      ILE  16  -9.437   0.344  -3.885
  137   HG23  ILE  16          HG23      ILE  16  -8.591   1.286  -5.110
  138   HD11  ILE  16          HD11      ILE  16  -5.582   1.803  -4.362
  139   HD12  ILE  16          HD12      ILE  16  -5.812   3.347  -5.181
  140   HD13  ILE  16          HD13      ILE  16  -6.899   2.001  -5.519
  141    H    HIS  17           HN       HIS  17  -8.286  -0.146  -0.823
  142    HA   HIS  17           HA       HIS  17 -10.787  -1.386  -1.339
  143    HB2  HIS  17           HB2      HIS  17  -8.485  -2.102   0.481
  144    HB3  HIS  17           HB1      HIS  17  -9.919  -3.114   0.322
  145    HD2  HIS  17           HD2      HIS  17 -10.007  -4.657  -2.015
  146    HE1  HIS  17           HE1      HIS  17  -6.543  -3.062  -3.826
  147    HE2  HIS  17           HE2      HIS  17  -8.328  -4.858  -4.005
  148    H    ARG  18           HN       ARG  18  -9.408   0.127   1.554
  149    HA   ARG  18           HA       ARG  18 -11.519  -0.530   3.318
  150    HB2  ARG  18           HB2      ARG  18  -9.486   1.706   3.319
  151    HB3  ARG  18           HB1      ARG  18 -10.641   1.474   4.629
  152    HG2  ARG  18           HG2      ARG  18  -8.958  -0.859   3.720
  153    HG3  ARG  18           HG1      ARG  18  -8.241   0.362   4.770
  154    HD2  ARG  18           HD2      ARG  18 -10.089   0.023   6.394
  155    HD3  ARG  18           HD1      ARG  18 -10.751  -1.240   5.363
  156    HE   ARG  18           HE       ARG  18  -7.988  -1.670   6.114
  157   HH11  ARG  18          HH21      ARG  18 -11.327  -2.054   6.941
  158   HH12  ARG  18          HH22      ARG  18 -11.059  -3.421   7.971
  159   HH21  ARG  18          HH11      ARG  18  -7.628  -3.464   7.466
  160   HH22  ARG  18          HH12      ARG  18  -8.964  -4.218   8.268
  161    H    LEU  19           HN       LEU  19 -10.921   2.373   1.346
  162    HA   LEU  19           HA       LEU  19 -13.267   3.746   2.161
  163    HB2  LEU  19           HB2      LEU  19 -11.523   3.992  -0.294
  164    HB3  LEU  19           HB1      LEU  19 -12.864   5.082   0.048
  165    HG   LEU  19           HG       LEU  19 -10.634   4.579   2.034
  166   HD11  LEU  19          HD11      LEU  19  -9.636   6.697   1.224
  167   HD12  LEU  19          HD12      LEU  19 -10.832   6.756  -0.071
  168   HD13  LEU  19          HD13      LEU  19  -9.639   5.457  -0.030
  169   HD21  LEU  19          HD21      LEU  19 -12.429   5.622   3.165
  170   HD22  LEU  19          HD22      LEU  19 -12.873   6.595   1.764
  171   HD23  LEU  19          HD23      LEU  19 -11.426   6.986   2.690
  172    H    VAL  20           HN       VAL  20 -12.565   1.675  -0.636
  173    HA   VAL  20           HA       VAL  20 -15.128   1.946  -1.835
  174    HB   VAL  20           HB       VAL  20 -12.991  -0.180  -2.095
  175   HG11  VAL  20          HG11      VAL  20 -15.631   0.187  -3.523
  176   HG12  VAL  20          HG12      VAL  20 -15.001  -1.270  -2.754
  177   HG13  VAL  20          HG13      VAL  20 -14.287  -0.688  -4.258
  178   HG21  VAL  20          HG21      VAL  20 -12.634   2.271  -2.868
  179   HG22  VAL  20          HG22      VAL  20 -13.826   1.907  -4.115
  180   HG23  VAL  20          HG23      VAL  20 -12.320   0.992  -4.039
  181    H    THR  21           HN       THR  21 -13.721  -0.558   0.281
  182    HA   THR  21           HA       THR  21 -16.160  -2.069   0.409
  183    HB   THR  21           HB       THR  21 -13.882  -2.279   2.374
  184    HG1  THR  21           HG1      THR  21 -13.931  -3.641  -0.081
  185   HG21  THR  21          HG21      THR  21 -14.487  -4.710   2.176
  186   HG22  THR  21          HG22      THR  21 -15.838  -4.244   1.144
  187   HG23  THR  21          HG23      THR  21 -15.785  -3.708   2.824
  188    H    GLY  22           HN       GLY  22 -15.401   0.882   1.656
  189    HA2  GLY  22           HA2      GLY  22 -16.303   0.630   4.359
  190    HA3  GLY  22           HA1      GLY  22 -16.116   2.128   3.455
  191    HN1  NH2  23           HT1      GLY  22 -19.554   0.659   1.998
  192    HN2  NH2  23           HT2      GLY  22 -17.970   0.163   1.508
  Start of MODEL    3
    1    H1   PHE   1           HT1      PHE   1  16.324   0.161   0.221
    2    H2   PHE   1           HT2      PHE   1  15.148  -0.933  -0.332
    3    H3   PHE   1           HT3      PHE   1  14.807   0.093   0.977
    4    HA   PHE   1           HA       PHE   1  14.390   1.876  -0.313
    5    HB2  PHE   1           HB2      PHE   1  15.559   2.270  -2.460
    6    HB3  PHE   1           HB1      PHE   1  16.703   1.984  -1.147
    7    HD1  PHE   1           HD1      PHE   1  17.939  -0.127  -0.985
    8    HD2  PHE   1           HD2      PHE   1  15.222   0.622  -4.225
    9    HE1  PHE   1           HE1      PHE   1  18.899  -2.044  -2.232
   10    HE2  PHE   1           HE2      PHE   1  16.180  -1.295  -5.473
   11    HZ   PHE   1           HZ       PHE   1  18.020  -2.627  -4.477
   12    H    PHE   2           HN       PHE   2  14.656  -1.309  -1.809
   13    HA   PHE   2           HA       PHE   2  12.650  -0.894  -3.796
   14    HB2  PHE   2           HB2      PHE   2  14.400  -2.715  -3.810
   15    HB3  PHE   2           HB1      PHE   2  13.464  -3.533  -2.560
   16    HD1  PHE   2           HD2      PHE   2  13.356  -2.262  -6.049
   17    HD2  PHE   2           HD1      PHE   2  11.457  -4.727  -3.089
   18    HE1  PHE   2           HE2      PHE   2  11.866  -3.206  -7.793
   19    HE2  PHE   2           HE1      PHE   2   9.966  -5.672  -4.832
   20    HZ   PHE   2           HZ       PHE   2  10.172  -4.911  -7.184
   21    H    HIS   3           HN       HIS   3  12.621  -2.522  -0.655
   22    HA   HIS   3           HA       HIS   3   9.879  -3.160  -0.608
   23    HB2  HIS   3           HB2      HIS   3  11.649  -4.087   0.940
   24    HB3  HIS   3           HB1      HIS   3  11.576  -2.559   1.821
   25    HD2  HIS   3           HD2      HIS   3  10.284  -3.743   4.073
   26    HE1  HIS   3           HE1      HIS   3   6.752  -4.812   2.019
   27    HE2  HIS   3           HE2      HIS   3   7.837  -4.625   4.309
   28    H    HIS   4           HN       HIS   4  11.619  -0.251   0.313
   29    HA   HIS   4           HA       HIS   4   9.501   1.038   1.707
   30    HB2  HIS   4           HB2      HIS   4  11.925   2.121   0.262
   31    HB3  HIS   4           HB1      HIS   4  10.816   3.128   1.193
   32    HD2  HIS   4           HD2      HIS   4  10.828   2.587   4.035
   33    HE1  HIS   4           HE1      HIS   4  14.348   0.260   3.932
   34    HE2  HIS   4           HE2      HIS   4  12.697   1.445   5.455
   35    H    ILE   5           HN       ILE   5  10.583   1.160  -1.665
   36    HA   ILE   5           HA       ILE   5   8.706   3.081  -2.556
   37    HB   ILE   5           HB       ILE   5  10.171   0.891  -4.045
   38   HG12  ILE   5          HG12      ILE   5  10.607   3.884  -4.111
   39   HG13  ILE   5          HG11      ILE   5  11.424   2.848  -2.940
   40   HG21  ILE   5          HG21      ILE   5   9.577   2.323  -6.070
   41   HG22  ILE   5          HG22      ILE   5   8.394   3.130  -5.043
   42   HG23  ILE   5          HG23      ILE   5   8.241   1.406  -5.378
   43   HD11  ILE   5          HD11      ILE   5  11.568   2.611  -5.961
   44   HD12  ILE   5          HD12      ILE   5  12.306   1.477  -4.830
   45   HD13  ILE   5          HD13      ILE   5  12.864   3.150  -4.891
   46    H    PHE   6           HN       PHE   6   8.610  -0.462  -2.468
   47    HA   PHE   6           HA       PHE   6   6.054  -0.689  -3.729
   48    HB2  PHE   6           HB2      PHE   6   7.876  -2.540  -2.225
   49    HB3  PHE   6           HB1      PHE   6   6.207  -3.037  -2.487
   50    HD1  PHE   6           HD2      PHE   6   8.989  -1.416  -4.436
   51    HD2  PHE   6           HD1      PHE   6   5.787  -4.281  -4.418
   52    HE1  PHE   6           HE2      PHE   6   9.547  -2.055  -6.765
   53    HE2  PHE   6           HE1      PHE   6   6.345  -4.920  -6.746
   54    HZ   PHE   6           HZ       PHE   6   8.226  -3.807  -7.922
   55    H    ARG   7           HN       ARG   7   7.147  -0.355  -0.413
   56    HA   ARG   7           HA       ARG   7   4.827  -1.075   0.956
   57    HB2  ARG   7           HB2      ARG   7   6.991  -0.548   2.053
   58    HB3  ARG   7           HB1      ARG   7   6.744   1.156   1.676
   59    HG2  ARG   7           HG2      ARG   7   4.650   1.141   3.004
   60    HG3  ARG   7           HG1      ARG   7   4.918  -0.558   3.389
   61    HD2  ARG   7           HD2      ARG   7   6.900   1.632   4.041
   62    HD3  ARG   7           HD1      ARG   7   5.677   1.064   5.173
   63    HE   ARG   7           HE       ARG   7   7.041  -1.198   4.300
   64   HH11  ARG   7          HH21      ARG   7   7.732   1.786   5.910
   65   HH12  ARG   7          HH22      ARG   7   9.043   1.141   6.839
   66   HH21  ARG   7          HH11      ARG   7   8.759  -2.052   5.516
   67   HH22  ARG   7          HH12      ARG   7   9.624  -1.032   6.617
   68    H    GLY   8           HN       GLY   8   5.721   2.048  -0.490
   69    HA2  GLY   8           HA2      GLY   8   3.508   3.537   0.425
   70    HA3  GLY   8           HA1      GLY   8   4.477   3.910  -0.996
   71    H    ILE   9           HN       ILE   9   3.950   1.390  -2.299
   72    HA   ILE   9           HA       ILE   9   1.585   2.101  -3.733
   73    HB   ILE   9           HB       ILE   9   2.998  -0.577  -3.750
   74   HG12  ILE   9          HG12      ILE   9   4.623   1.174  -4.184
   75   HG13  ILE   9          HG11      ILE   9   4.235   0.381  -5.704
   76   HG21  ILE   9          HG21      ILE   9   2.112  -0.535  -6.140
   77   HG22  ILE   9          HG22      ILE   9   1.121   0.841  -5.652
   78   HG23  ILE   9          HG23      ILE   9   0.889  -0.730  -4.881
   79   HD11  ILE   9          HD11      ILE   9   3.447   3.115  -4.740
   80   HD12  ILE   9          HD12      ILE   9   2.439   2.295  -5.929
   81   HD13  ILE   9          HD13      ILE   9   4.128   2.641  -6.293
   82    H    VAL  10           HN       VAL  10   2.310  -0.401  -1.346
   83    HA   VAL  10           HA       VAL  10  -0.205  -1.662  -1.332
   84    HB   VAL  10           HB       VAL  10   1.817  -1.365   0.903
   85   HG11  VAL  10          HG11      VAL  10  -0.670  -3.056   0.598
   86   HG12  VAL  10          HG12      VAL  10  -0.240  -1.985   1.930
   87   HG13  VAL  10          HG13      VAL  10   0.632  -3.500   1.701
   88   HG21  VAL  10          HG21      VAL  10   2.710  -2.493  -1.083
   89   HG22  VAL  10          HG22      VAL  10   1.302  -3.552  -1.139
   90   HG23  VAL  10          HG23      VAL  10   2.443  -3.672   0.201
   91    H    HIS  11           HN       HIS  11   1.044   1.074   0.539
   92    HA   HIS  11           HA       HIS  11  -1.128   1.423   2.282
   93    HB2  HIS  11           HB2      HIS  11   1.045   2.611   2.490
   94    HB3  HIS  11           HB1      HIS  11   0.622   3.584   1.081
   95    HD2  HIS  11           HD2      HIS  11  -0.702   5.898   1.786
   96    HE1  HIS  11           HE1      HIS  11  -2.186   4.632   5.530
   97    HE2  HIS  11           HE2      HIS  11  -2.043   6.589   3.918
   98    H    VAL  12           HN       VAL  12  -0.565   2.662  -0.990
   99    HA   VAL  12           HA       VAL  12  -2.834   4.327  -1.168
  100    HB   VAL  12           HB       VAL  12  -1.333   2.811  -3.316
  101   HG11  VAL  12          HG11      VAL  12  -3.535   4.877  -3.474
  102   HG12  VAL  12          HG12      VAL  12  -3.465   3.300  -4.260
  103   HG13  VAL  12          HG13      VAL  12  -2.410   4.602  -4.805
  104   HG21  VAL  12          HG21      VAL  12  -0.180   4.887  -3.678
  105   HG22  VAL  12          HG22      VAL  12  -0.141   4.592  -1.940
  106   HG23  VAL  12          HG23      VAL  12  -1.282   5.756  -2.608
  107    H    GLY  13           HN       GLY  13  -2.368   0.911  -2.046
  108    HA2  GLY  13           HA2      GLY  13  -5.002   0.474  -3.001
  109    HA3  GLY  13           HA1      GLY  13  -3.878  -0.777  -2.481
  110    H    LYS  14           HN       LYS  14  -3.527   0.283   0.180
  111    HA   LYS  14           HA       LYS  14  -5.590  -1.083   1.530
  112    HB2  LYS  14           HB2      LYS  14  -3.317  -0.677   2.468
  113    HB3  LYS  14           HB1      LYS  14  -3.737   1.026   2.652
  114    HG2  LYS  14           HG2      LYS  14  -5.535   0.482   4.184
  115    HG3  LYS  14           HG1      LYS  14  -5.306  -1.242   3.904
  116    HD2  LYS  14           HD2      LYS  14  -4.208  -0.760   5.975
  117    HD3  LYS  14           HD1      LYS  14  -2.935  -0.960   4.774
  118    HE2  LYS  14           HE2      LYS  14  -2.566   1.386   4.617
  119    HE3  LYS  14           HE1      LYS  14  -4.073   1.760   5.452
  120    HZ1  LYS  14           HZ1      LYS  14  -3.105   0.588   7.419
  121    HZ2  LYS  14           HZ2      LYS  14  -2.332   2.040   6.994
  122    HZ3  LYS  14           HZ3      LYS  14  -1.621   0.550   6.594
  123    H    THR  15           HN       THR  15  -5.025   2.388   1.022
  124    HA   THR  15           HA       THR  15  -7.292   3.268   2.496
  125    HB   THR  15           HB       THR  15  -5.951   4.721   0.208
  126    HG1  THR  15           HG1      THR  15  -4.823   5.626   2.188
  127   HG21  THR  15          HG21      THR  15  -7.521   5.590   2.648
  128   HG22  THR  15          HG22      THR  15  -7.979   5.798   0.958
  129   HG23  THR  15          HG23      THR  15  -6.616   6.700   1.619
  130    H    ILE  16           HN       ILE  16  -6.719   2.682  -0.941
  131    HA   ILE  16           HA       ILE  16  -9.266   3.492  -1.870
  132    HB   ILE  16           HB       ILE  16  -7.283   1.508  -3.015
  133   HG12  ILE  16          HG12      ILE  16  -7.937   4.340  -3.874
  134   HG13  ILE  16          HG11      ILE  16  -6.637   3.960  -2.746
  135   HG21  ILE  16          HG21      ILE  16  -9.375   0.959  -4.018
  136   HG22  ILE  16          HG22      ILE  16  -8.587   2.041  -5.167
  137   HG23  ILE  16          HG23      ILE  16  -9.861   2.651  -4.110
  138   HD11  ILE  16          HD11      ILE  16  -6.903   2.997  -5.608
  139   HD12  ILE  16          HD12      ILE  16  -5.686   2.401  -4.479
  140   HD13  ILE  16          HD13      ILE  16  -5.680   4.095  -4.967
  141    H    HIS  17           HN       HIS  17  -8.011   0.327  -0.883
  142    HA   HIS  17           HA       HIS  17 -10.385  -1.129  -1.423
  143    HB2  HIS  17           HB2      HIS  17  -8.201  -2.221  -1.162
  144    HB3  HIS  17           HB1      HIS  17  -8.158  -1.741   0.534
  145    HD2  HIS  17           HD2      HIS  17 -10.054  -4.319  -1.758
  146    HE1  HIS  17           HE1      HIS  17 -11.062  -5.131   2.260
  147    HE2  HIS  17           HE2      HIS  17 -11.276  -5.957  -0.132
  148    H    ARG  18           HN       ARG  18  -9.230   0.638   1.389
  149    HA   ARG  18           HA       ARG  18 -11.042  -0.325   3.311
  150    HB2  ARG  18           HB2      ARG  18  -9.074   1.107   3.818
  151    HB3  ARG  18           HB1      ARG  18  -9.917   2.477   3.098
  152    HG2  ARG  18           HG2      ARG  18 -11.739   2.231   4.749
  153    HG3  ARG  18           HG1      ARG  18 -10.896   0.859   5.470
  154    HD2  ARG  18           HD2      ARG  18  -8.937   2.374   5.895
  155    HD3  ARG  18           HD1      ARG  18  -9.923   3.724   5.338
  156    HE   ARG  18           HE       ARG  18 -11.344   2.354   7.349
  157   HH11  ARG  18          HH21      ARG  18  -8.499   4.268   6.884
  158   HH12  ARG  18          HH22      ARG  18  -8.510   4.923   8.487
  159   HH21  ARG  18          HH11      ARG  18 -11.365   3.209   9.453
  160   HH22  ARG  18          HH12      ARG  18 -10.132   4.324   9.942
  161    H    LEU  19           HN       LEU  19 -11.314   2.514   1.156
  162    HA   LEU  19           HA       LEU  19 -13.926   3.236   2.010
  163    HB2  LEU  19           HB2      LEU  19 -12.160   3.942  -0.299
  164    HB3  LEU  19           HB1      LEU  19 -13.865   4.368  -0.414
  165    HG   LEU  19           HG       LEU  19 -13.708   5.576   1.736
  166   HD11  LEU  19          HD11      LEU  19 -11.943   4.291   2.807
  167   HD12  LEU  19          HD12      LEU  19 -11.438   5.978   2.696
  168   HD13  LEU  19          HD13      LEU  19 -10.791   4.791   1.571
  169   HD21  LEU  19          HD21      LEU  19 -13.359   6.938  -0.191
  170   HD22  LEU  19          HD22      LEU  19 -11.739   6.292  -0.447
  171   HD23  LEU  19          HD23      LEU  19 -12.055   7.361   0.919
  172    H    VAL  20           HN       VAL  20 -12.774   1.248  -0.706
  173    HA   VAL  20           HA       VAL  20 -15.310   0.819  -1.881
  174    HB   VAL  20           HB       VAL  20 -12.780  -0.837  -1.934
  175   HG11  VAL  20          HG11      VAL  20 -15.380  -1.093  -3.455
  176   HG12  VAL  20          HG12      VAL  20 -14.536  -2.336  -2.532
  177   HG13  VAL  20          HG13      VAL  20 -13.866  -1.765  -4.061
  178   HG21  VAL  20          HG21      VAL  20 -13.925   0.879  -4.142
  179   HG22  VAL  20          HG22      VAL  20 -12.270   0.304  -3.938
  180   HG23  VAL  20          HG23      VAL  20 -12.893   1.579  -2.892
  181    H    THR  21           HN       THR  21 -13.427  -1.191   0.394
  182    HA   THR  21           HA       THR  21 -15.532  -3.126   0.688
  183    HB   THR  21           HB       THR  21 -12.986  -3.472   0.980
  184    HG1  THR  21           HG1      THR  21 -14.262  -5.148   1.464
  185   HG21  THR  21          HG21      THR  21 -13.555  -2.761   3.847
  186   HG22  THR  21          HG22      THR  21 -12.969  -1.529   2.732
  187   HG23  THR  21          HG23      THR  21 -11.996  -2.968   3.047
  188    H    GLY  22           HN       GLY  22 -15.361  -0.009   1.695
  189    HA2  GLY  22           HA2      GLY  22 -16.699   1.157   3.174
  190    HA3  GLY  22           HA1      GLY  22 -17.378  -0.375   3.720
  191    HN1  NH2  23           HT1      GLY  22 -13.760  -0.341   5.466
  192    HN2  NH2  23           HT2      GLY  22 -14.071  -0.783   3.821
  Start of MODEL    4
    1    H1   PHE   1           HT1      PHE   1  14.576   0.024   1.220
    2    H2   PHE   1           HT2      PHE   1  16.183   0.549   1.381
    3    H3   PHE   1           HT3      PHE   1  15.776  -0.604   0.202
    4    HA   PHE   1           HA       PHE   1  14.868   2.222   0.256
    5    HB2  PHE   1           HB2      PHE   1  17.251   1.953  -0.336
    6    HB3  PHE   1           HB1      PHE   1  16.809   0.767  -1.564
    7    HD1  PHE   1           HD1      PHE   1  16.256   4.309  -0.522
    8    HD2  PHE   1           HD2      PHE   1  16.149   1.456  -3.731
    9    HE1  PHE   1           HE1      PHE   1  15.838   6.143  -2.139
   10    HE2  PHE   1           HE2      PHE   1  15.730   3.290  -5.348
   11    HZ   PHE   1           HZ       PHE   1  15.575   5.633  -4.551
   12    H    PHE   2           HN       PHE   2  14.978  -0.884  -1.462
   13    HA   PHE   2           HA       PHE   2  13.068  -0.121  -3.461
   14    HB2  PHE   2           HB2      PHE   2  14.107  -2.813  -2.555
   15    HB3  PHE   2           HB1      PHE   2  12.980  -2.606  -3.896
   16    HD1  PHE   2           HD2      PHE   2  13.654  -1.335  -5.923
   17    HD2  PHE   2           HD1      PHE   2  16.427  -2.195  -2.757
   18    HE1  PHE   2           HE2      PHE   2  15.545  -0.781  -7.429
   19    HE2  PHE   2           HE1      PHE   2  18.318  -1.642  -4.263
   20    HZ   PHE   2           HZ       PHE   2  17.878  -0.934  -6.600
   21    H    HIS   3           HN       HIS   3  12.881  -2.184  -0.586
   22    HA   HIS   3           HA       HIS   3  10.197  -2.868  -0.679
   23    HB2  HIS   3           HB2      HIS   3  11.996  -2.371   1.696
   24    HB3  HIS   3           HB1      HIS   3  10.361  -3.013   1.844
   25    HD2  HIS   3           HD2      HIS   3  13.910  -4.261   0.946
   26    HE1  HIS   3           HE1      HIS   3  11.244  -7.415   0.074
   27    HE2  HIS   3           HE2      HIS   3  13.692  -6.784   0.307
   28    H    HIS   4           HN       HIS   4  11.690   0.122   0.356
   29    HA   HIS   4           HA       HIS   4   9.475   1.265   1.709
   30    HB2  HIS   4           HB2      HIS   4  11.780   2.159   1.845
   31    HB3  HIS   4           HB1      HIS   4  11.666   2.671   0.162
   32    HD2  HIS   4           HD2      HIS   4  10.222   3.712   3.671
   33    HE1  HIS   4           HE1      HIS   4   9.050   6.621   0.845
   34    HE2  HIS   4           HE2      HIS   4   9.089   6.037   3.317
   35    H    ILE   5           HN       ILE   5  10.551   1.469  -1.665
   36    HA   ILE   5           HA       ILE   5   8.475   3.189  -2.557
   37    HB   ILE   5           HB       ILE   5   9.981   1.141  -4.198
   38   HG12  ILE   5          HG12      ILE   5  11.580   2.522  -2.988
   39   HG13  ILE   5          HG11      ILE   5  11.544   3.040  -4.668
   40   HG21  ILE   5          HG21      ILE   5   8.036   2.143  -5.328
   41   HG22  ILE   5          HG22      ILE   5   9.538   2.737  -6.037
   42   HG23  ILE   5          HG23      ILE   5   8.627   3.755  -4.921
   43   HD11  ILE   5          HD11      ILE   5   9.749   4.765  -3.820
   44   HD12  ILE   5          HD12      ILE   5  11.453   5.079  -3.515
   45   HD13  ILE   5          HD13      ILE   5  10.436   4.422  -2.235
   46    H    PHE   6           HN       PHE   6   8.785  -0.348  -2.534
   47    HA   PHE   6           HA       PHE   6   6.292  -0.846  -3.836
   48    HB2  PHE   6           HB2      PHE   6   8.074  -2.574  -2.114
   49    HB3  PHE   6           HB1      PHE   6   6.597  -3.168  -2.872
   50    HD1  PHE   6           HD1      PHE   6   6.354  -2.624  -5.451
   51    HD2  PHE   6           HD2      PHE   6  10.083  -2.715  -3.320
   52    HE1  PHE   6           HE1      PHE   6   7.568  -2.958  -7.588
   53    HE2  PHE   6           HE2      PHE   6  11.296  -3.047  -5.457
   54    HZ   PHE   6           HZ       PHE   6  10.039  -3.169  -7.591
   55    H    ARG   7           HN       ARG   7   7.297  -0.485  -0.497
   56    HA   ARG   7           HA       ARG   7   4.969  -1.424   0.776
   57    HB2  ARG   7           HB2      ARG   7   7.096  -0.935   1.963
   58    HB3  ARG   7           HB1      ARG   7   6.808   0.788   1.720
   59    HG2  ARG   7           HG2      ARG   7   4.705   0.633   2.990
   60    HG3  ARG   7           HG1      ARG   7   4.960  -1.099   3.213
   61    HD2  ARG   7           HD2      ARG   7   7.117  -0.571   4.371
   62    HD3  ARG   7           HD1      ARG   7   6.717   1.141   4.256
   63    HE   ARG   7           HE       ARG   7   5.494  -0.816   6.035
   64   HH11  ARG   7          HH21      ARG   7   5.325   2.280   4.499
   65   HH12  ARG   7          HH22      ARG   7   4.235   2.953   5.664
   66   HH21  ARG   7          HH11      ARG   7   4.066   0.060   7.568
   67   HH22  ARG   7          HH12      ARG   7   3.522   1.696   7.403
   68    H    GLY   8           HN       GLY   8   5.818   1.797  -0.450
   69    HA2  GLY   8           HA2      GLY   8   3.431   3.065   0.491
   70    HA3  GLY   8           HA1      GLY   8   4.560   3.713  -0.696
   71    H    ILE   9           HN       ILE   9   4.393   1.466  -2.500
   72    HA   ILE   9           HA       ILE   9   2.214   2.305  -4.098
   73    HB   ILE   9           HB       ILE   9   3.971  -0.151  -4.250
   74   HG12  ILE   9          HG12      ILE   9   4.812   2.331  -4.631
   75   HG13  ILE   9          HG11      ILE   9   5.299   1.062  -5.750
   76   HG21  ILE   9          HG21      ILE   9   2.030  -0.813  -5.428
   77   HG22  ILE   9          HG22      ILE   9   3.083  -0.162  -6.683
   78   HG23  ILE   9          HG23      ILE   9   1.755   0.811  -6.056
   79   HD11  ILE   9          HD11      ILE   9   3.795   1.784  -7.414
   80   HD12  ILE   9          HD12      ILE   9   4.402   3.296  -6.744
   81   HD13  ILE   9          HD13      ILE   9   2.815   2.696  -6.272
   82    H    VAL  10           HN       VAL  10   2.677  -0.705  -2.239
   83    HA   VAL  10           HA       VAL  10   0.121  -1.783  -2.811
   84    HB   VAL  10           HB       VAL  10   1.990  -3.156  -1.982
   85   HG11  VAL  10          HG11      VAL  10   1.496  -1.745   0.655
   86   HG12  VAL  10          HG12      VAL  10   2.881  -1.467  -0.398
   87   HG13  VAL  10          HG13      VAL  10   2.659  -3.037   0.364
   88   HG21  VAL  10          HG21      VAL  10   0.694  -4.516  -0.442
   89   HG22  VAL  10          HG22      VAL  10  -0.404  -3.851  -1.651
   90   HG23  VAL  10          HG23      VAL  10  -0.338  -3.145  -0.035
   91    H    HIS  11           HN       HIS  11   1.259   0.426  -0.345
   92    HA   HIS  11           HA       HIS  11  -0.805   0.282   1.519
   93    HB2  HIS  11           HB2      HIS  11   1.237   1.631   1.824
   94    HB3  HIS  11           HB1      HIS  11   0.665   2.761   0.597
   95    HD2  HIS  11           HD2      HIS  11  -0.883   4.792   1.652
   96    HE1  HIS  11           HE1      HIS  11  -1.910   2.928   5.299
   97    HE2  HIS  11           HE2      HIS  11  -2.110   5.065   3.941
   98    H    VAL  12           HN       VAL  12  -0.608   2.395  -1.348
   99    HA   VAL  12           HA       VAL  12  -2.955   3.793  -1.151
  100    HB   VAL  12           HB       VAL  12  -2.811   4.217  -3.444
  101   HG11  VAL  12          HG11      VAL  12  -0.614   4.528  -2.155
  102   HG12  VAL  12          HG12      VAL  12  -0.497   4.480  -3.915
  103   HG13  VAL  12          HG13      VAL  12  -0.062   3.060  -2.964
  104   HG21  VAL  12          HG21      VAL  12  -1.946   1.331  -3.651
  105   HG22  VAL  12          HG22      VAL  12  -1.617   2.451  -4.975
  106   HG23  VAL  12          HG23      VAL  12  -3.278   2.142  -4.467
  107    H    GLY  13           HN       GLY  13  -2.564   0.404  -1.880
  108    HA2  GLY  13           HA2      GLY  13  -5.193  -0.075  -2.879
  109    HA3  GLY  13           HA1      GLY  13  -4.073  -1.296  -2.280
  110    H    LYS  14           HN       LYS  14  -3.731  -0.121   0.324
  111    HA   LYS  14           HA       LYS  14  -5.841  -1.380   1.715
  112    HB2  LYS  14           HB2      LYS  14  -3.555  -0.999   2.626
  113    HB3  LYS  14           HB1      LYS  14  -3.928   0.717   2.769
  114    HG2  LYS  14           HG2      LYS  14  -5.831   0.173   4.261
  115    HG3  LYS  14           HG1      LYS  14  -5.433  -1.536   4.135
  116    HD2  LYS  14           HD2      LYS  14  -3.432   0.512   5.111
  117    HD3  LYS  14           HD1      LYS  14  -4.541  -0.304   6.208
  118    HE2  LYS  14           HE2      LYS  14  -3.643  -2.506   5.226
  119    HE3  LYS  14           HE1      LYS  14  -2.359  -1.534   4.511
  120    HZ1  LYS  14           HZ1      LYS  14  -1.519  -0.968   6.557
  121    HZ2  LYS  14           HZ2      LYS  14  -2.011  -2.573   6.817
  122    HZ3  LYS  14           HZ3      LYS  14  -2.969  -1.287   7.377
  123    H    THR  15           HN       THR  15  -5.163   2.049   1.062
  124    HA   THR  15           HA       THR  15  -7.406   3.059   2.490
  125    HB   THR  15           HB       THR  15  -5.995   4.377   0.165
  126    HG1  THR  15           HG1      THR  15  -5.339   4.676   2.886
  127   HG21  THR  15          HG21      THR  15  -8.090   5.433   0.985
  128   HG22  THR  15          HG22      THR  15  -6.675   6.435   1.300
  129   HG23  THR  15          HG23      THR  15  -7.398   5.498   2.606
  130    H    ILE  16           HN       ILE  16  -6.838   2.349  -0.930
  131    HA   ILE  16           HA       ILE  16  -9.377   3.197  -1.865
  132    HB   ILE  16           HB       ILE  16  -7.407   1.197  -3.001
  133   HG12  ILE  16          HG12      ILE  16  -8.059   4.018  -3.894
  134   HG13  ILE  16          HG11      ILE  16  -6.762   3.655  -2.755
  135   HG21  ILE  16          HG21      ILE  16  -9.520   0.653  -3.977
  136   HG22  ILE  16          HG22      ILE  16  -8.707   1.687  -5.151
  137   HG23  ILE  16          HG23      ILE  16  -9.972   2.351  -4.119
  138   HD11  ILE  16          HD11      ILE  16  -5.648   2.247  -4.389
  139   HD12  ILE  16          HD12      ILE  16  -5.978   3.811  -5.133
  140   HD13  ILE  16          HD13      ILE  16  -6.994   2.421  -5.514
  141    H    HIS  17           HN       HIS  17  -8.146   0.008  -0.895
  142    HA   HIS  17           HA       HIS  17 -10.545  -1.410  -1.418
  143    HB2  HIS  17           HB2      HIS  17  -8.352  -2.513  -1.163
  144    HB3  HIS  17           HB1      HIS  17  -8.335  -2.069   0.543
  145    HD2  HIS  17           HD2      HIS  17  -9.900  -3.710   2.200
  146    HE1  HIS  17           HE1      HIS  17 -11.514  -6.130  -0.859
  147    HE2  HIS  17           HE2      HIS  17 -11.319  -5.833   1.656
  148    H    ARG  18           HN       ARG  18  -9.259   0.165   1.465
  149    HA   ARG  18           HA       ARG  18 -11.334  -0.699   3.225
  150    HB2  ARG  18           HB2      ARG  18  -9.129   0.116   4.015
  151    HB3  ARG  18           HB1      ARG  18  -9.548   1.735   3.459
  152    HG2  ARG  18           HG2      ARG  18 -11.472   1.789   4.982
  153    HG3  ARG  18           HG1      ARG  18 -11.115   0.144   5.511
  154    HD2  ARG  18           HD2      ARG  18 -10.224   1.729   7.137
  155    HD3  ARG  18           HD1      ARG  18  -8.893   0.918   6.315
  156    HE   ARG  18           HE       ARG  18  -8.319   2.950   5.316
  157   HH11  ARG  18          HH21      ARG  18 -11.404   3.109   6.873
  158   HH12  ARG  18          HH22      ARG  18 -11.541   4.830   6.731
  159   HH21  ARG  18          HH11      ARG  18  -8.491   5.207   5.126
  160   HH22  ARG  18          HH12      ARG  18  -9.891   6.017   5.744
  161    H    LEU  19           HN       LEU  19 -10.801   2.294   1.376
  162    HA   LEU  19           HA       LEU  19 -13.125   3.619   2.281
  163    HB2  LEU  19           HB2      LEU  19 -11.305   4.841   1.204
  164    HB3  LEU  19           HB1      LEU  19 -11.579   3.967  -0.301
  165    HG   LEU  19           HG       LEU  19 -13.819   4.956  -0.501
  166   HD11  LEU  19          HD11      LEU  19 -13.150   6.029   2.235
  167   HD12  LEU  19          HD12      LEU  19 -14.637   5.267   1.674
  168   HD13  LEU  19          HD13      LEU  19 -14.263   6.919   1.194
  169   HD21  LEU  19          HD21      LEU  19 -13.155   7.226  -0.976
  170   HD22  LEU  19          HD22      LEU  19 -11.779   6.185  -1.341
  171   HD23  LEU  19          HD23      LEU  19 -11.804   7.125   0.153
  172    H    VAL  20           HN       VAL  20 -12.519   1.610  -0.578
  173    HA   VAL  20           HA       VAL  20 -15.092   1.923  -1.728
  174    HB   VAL  20           HB       VAL  20 -13.000  -0.240  -2.026
  175   HG11  VAL  20          HG11      VAL  20 -15.036  -1.313  -2.635
  176   HG12  VAL  20          HG12      VAL  20 -14.352  -0.746  -4.159
  177   HG13  VAL  20          HG13      VAL  20 -15.669   0.146  -3.396
  178   HG21  VAL  20          HG21      VAL  20 -12.638   2.203  -2.825
  179   HG22  VAL  20          HG22      VAL  20 -13.864   1.845  -4.040
  180   HG23  VAL  20          HG23      VAL  20 -12.367   0.914  -3.996
  181    H    THR  21           HN       THR  21 -13.732  -0.633   0.360
  182    HA   THR  21           HA       THR  21 -16.195  -2.097   0.487
  183    HB   THR  21           HB       THR  21 -15.021  -3.403   2.236
  184    HG1  THR  21           HG1      THR  21 -13.498  -2.421   3.259
  185   HG21  THR  21          HG21      THR  21 -13.654  -2.779  -0.378
  186   HG22  THR  21          HG22      THR  21 -14.603  -4.200   0.061
  187   HG23  THR  21          HG23      THR  21 -12.986  -3.978   0.729
  188    H    GLY  22           HN       GLY  22 -17.885  -1.815   1.834
  189    HA2  GLY  22           HA2      GLY  22 -17.539  -0.627   4.458
  190    HA3  GLY  22           HA1      GLY  22 -18.448   0.363   3.318
  191    HN1  NH2  23           HT1      GLY  22 -20.443  -3.119   3.230
  192    HN2  NH2  23           HT2      GLY  22 -18.982  -2.780   2.362
  Start of MODEL    5
    1    H1   PHE   1           HT1      PHE   1  14.503  -0.140   0.458
    2    H2   PHE   1           HT2      PHE   1  15.478   1.023   1.222
    3    H3   PHE   1           HT3      PHE   1  16.134   0.020   0.017
    4    HA   PHE   1           HA       PHE   1  14.508   2.416  -0.230
    5    HB2  PHE   1           HB2      PHE   1  15.871   2.625  -2.291
    6    HB3  PHE   1           HB1      PHE   1  16.881   2.361  -0.870
    7    HD1  PHE   1           HD2      PHE   1  17.922   0.160  -0.452
    8    HD2  PHE   1           HD1      PHE   1  15.655   0.937  -4.017
    9    HE1  PHE   1           HE2      PHE   1  18.876  -1.875  -1.503
   10    HE2  PHE   1           HE1      PHE   1  16.607  -1.097  -5.067
   11    HZ   PHE   1           HZ       PHE   1  18.219  -2.503  -3.810
   12    H    PHE   2           HN       PHE   2  14.859  -0.774  -1.758
   13    HA   PHE   2           HA       PHE   2  12.856  -0.318  -3.752
   14    HB2  PHE   2           HB2      PHE   2  14.584  -2.035  -4.035
   15    HB3  PHE   2           HB1      PHE   2  13.952  -2.915  -2.644
   16    HD1  PHE   2           HD2      PHE   2  12.892  -1.521  -5.956
   17    HD2  PHE   2           HD1      PHE   2  12.280  -4.538  -2.961
   18    HE1  PHE   2           HE2      PHE   2  11.254  -2.654  -7.434
   19    HE2  PHE   2           HE1      PHE   2  10.643  -5.672  -4.438
   20    HZ   PHE   2           HZ       PHE   2  10.129  -4.730  -6.675
   21    H    HIS   3           HN       HIS   3  12.889  -2.137  -0.712
   22    HA   HIS   3           HA       HIS   3  10.172  -2.887  -0.726
   23    HB2  HIS   3           HB2      HIS   3  11.909  -3.925   0.718
   24    HB3  HIS   3           HB1      HIS   3  11.947  -2.450   1.685
   25    HD2  HIS   3           HD2      HIS   3   9.603  -5.538   1.101
   26    HE1  HIS   3           HE1      HIS   3   7.872  -3.149   4.120
   27    HE2  HIS   3           HE2      HIS   3   7.711  -5.366   2.893
   28    H    HIS   4           HN       HIS   4  11.802  -0.000   0.481
   29    HA   HIS   4           HA       HIS   4   9.604   1.058   1.942
   30    HB2  HIS   4           HB2      HIS   4  11.920   1.859   2.236
   31    HB3  HIS   4           HB1      HIS   4  11.892   2.521   0.601
   32    HD2  HIS   4           HD2      HIS   4  10.896   5.100   0.482
   33    HE1  HIS   4           HE1      HIS   4   9.021   5.182   4.264
   34    HE2  HIS   4           HE2      HIS   4   9.598   6.563   2.213
   35    H    ILE   5           HN       ILE   5  10.776   1.614  -1.354
   36    HA   ILE   5           HA       ILE   5   8.796   3.489  -2.107
   37    HB   ILE   5           HB       ILE   5  10.485   1.598  -3.756
   38   HG12  ILE   5          HG12      ILE   5  10.676   4.602  -3.437
   39   HG13  ILE   5          HG11      ILE   5  11.546   3.485  -2.386
   40   HG21  ILE   5          HG21      ILE   5   8.548   3.774  -4.572
   41   HG22  ILE   5          HG22      ILE   5   8.603   2.104  -5.135
   42   HG23  ILE   5          HG23      ILE   5   9.858   3.240  -5.624
   43   HD11  ILE   5          HD11      ILE   5  11.784   3.676  -5.404
   44   HD12  ILE   5          HD12      ILE   5  12.577   2.449  -4.414
   45   HD13  ILE   5          HD13      ILE   5  13.007   4.150  -4.224
   46    H    PHE   6           HN       PHE   6   8.960  -0.038  -2.420
   47    HA   PHE   6           HA       PHE   6   6.502  -0.334  -3.834
   48    HB2  PHE   6           HB2      PHE   6   8.342  -2.047  -3.732
   49    HB3  PHE   6           HB1      PHE   6   7.858  -2.383  -2.069
   50    HD1  PHE   6           HD1      PHE   6   6.471  -2.154  -5.540
   51    HD2  PHE   6           HD2      PHE   6   6.133  -3.928  -1.643
   52    HE1  PHE   6           HE1      PHE   6   4.669  -3.639  -6.373
   53    HE2  PHE   6           HE2      PHE   6   4.330  -5.414  -2.477
   54    HZ   PHE   6           HZ       PHE   6   3.597  -5.269  -4.842
   55    H    ARG   7           HN       ARG   7   7.386  -0.232  -0.462
   56    HA   ARG   7           HA       ARG   7   5.077  -1.249   0.734
   57    HB2  ARG   7           HB2      ARG   7   7.142  -0.647   1.975
   58    HB3  ARG   7           HB1      ARG   7   6.759   1.059   1.746
   59    HG2  ARG   7           HG2      ARG   7   4.624   0.738   2.957
   60    HG3  ARG   7           HG1      ARG   7   5.020  -0.964   3.192
   61    HD2  ARG   7           HD2      ARG   7   6.742   1.326   4.169
   62    HD3  ARG   7           HD1      ARG   7   5.562   0.487   5.169
   63    HE   ARG   7           HE       ARG   7   7.296  -1.420   4.019
   64   HH11  ARG   7          HH21      ARG   7   7.247   1.182   6.298
   65   HH12  ARG   7          HH22      ARG   7   8.519   0.531   7.278
   66   HH21  ARG   7          HH11      ARG   7   8.965  -2.281   5.299
   67   HH22  ARG   7          HH12      ARG   7   9.491  -1.430   6.713
   68    H    GLY   8           HN       GLY   8   5.746   2.043  -0.428
   69    HA2  GLY   8           HA2      GLY   8   3.326   3.208   0.497
   70    HA3  GLY   8           HA1      GLY   8   4.366   3.851  -0.768
   71    H    ILE   9           HN       ILE   9   4.221   1.490  -2.431
   72    HA   ILE   9           HA       ILE   9   1.907   2.140  -3.965
   73    HB   ILE   9           HB       ILE   9   3.601  -0.358  -4.165
   74   HG12  ILE   9          HG12      ILE   9   5.044   1.596  -4.288
   75   HG13  ILE   9          HG11      ILE   9   4.852   0.936  -5.907
   76   HG21  ILE   9          HG21      ILE   9   1.567  -0.562  -5.440
   77   HG22  ILE   9          HG22      ILE   9   2.868  -0.203  -6.574
   78   HG23  ILE   9          HG23      ILE   9   1.747   1.069  -6.087
   79   HD11  ILE   9          HD11      ILE   9   2.878   2.658  -6.093
   80   HD12  ILE   9          HD12      ILE   9   4.535   3.232  -6.261
   81   HD13  ILE   9          HD13      ILE   9   3.679   3.448  -4.736
   82    H    VAL  10           HN       VAL  10   2.703  -0.597  -1.865
   83    HA   VAL  10           HA       VAL  10   0.302  -2.030  -2.262
   84    HB   VAL  10           HB       VAL  10   2.222  -2.011   0.076
   85   HG11  VAL  10          HG11      VAL  10  -0.170  -3.742  -0.571
   86   HG12  VAL  10          HG12      VAL  10   0.200  -2.910   0.939
   87   HG13  VAL  10          HG13      VAL  10   1.142  -4.320   0.458
   88   HG21  VAL  10          HG21      VAL  10   2.897  -4.203  -1.009
   89   HG22  VAL  10          HG22      VAL  10   3.289  -2.765  -1.952
   90   HG23  VAL  10          HG23      VAL  10   1.890  -3.752  -2.385
   91    H    HIS  11           HN       HIS  11   1.158   0.564  -0.047
   92    HA   HIS  11           HA       HIS  11  -0.982   0.384   1.753
   93    HB2  HIS  11           HB2      HIS  11   0.628   2.736   0.760
   94    HB3  HIS  11           HB1      HIS  11  -0.624   2.910   1.989
   95    HD2  HIS  11           HD2      HIS  11   1.212  -0.417   2.438
   96    HE1  HIS  11           HE1      HIS  11   3.078   2.311   5.066
   97    HE2  HIS  11           HE2      HIS  11   2.874  -0.140   4.434
   98    H    VAL  12           HN       VAL  12  -0.775   2.203  -1.305
   99    HA   VAL  12           HA       VAL  12  -3.178   3.530  -1.270
  100    HB   VAL  12           HB       VAL  12  -2.993   3.786  -3.577
  101   HG11  VAL  12          HG11      VAL  12  -0.669   4.065  -4.038
  102   HG12  VAL  12          HG12      VAL  12  -0.220   2.765  -2.937
  103   HG13  VAL  12          HG13      VAL  12  -0.843   4.284  -2.297
  104   HG21  VAL  12          HG21      VAL  12  -2.086   0.912  -3.561
  105   HG22  VAL  12          HG22      VAL  12  -1.691   1.938  -4.938
  106   HG23  VAL  12          HG23      VAL  12  -3.375   1.663  -4.496
  107    H    GLY  13           HN       GLY  13  -2.661   0.102  -1.691
  108    HA2  GLY  13           HA2      GLY  13  -5.239  -0.564  -2.709
  109    HA3  GLY  13           HA1      GLY  13  -4.116  -1.671  -1.925
  110    H    LYS  14           HN       LYS  14  -3.877  -0.376   0.551
  111    HA   LYS  14           HA       LYS  14  -6.104  -1.431   1.936
  112    HB2  LYS  14           HB2      LYS  14  -3.820   0.366   2.730
  113    HB3  LYS  14           HB1      LYS  14  -5.103  -0.019   3.875
  114    HG2  LYS  14           HG2      LYS  14  -3.245  -1.599   4.131
  115    HG3  LYS  14           HG1      LYS  14  -4.674  -2.435   3.527
  116    HD2  LYS  14           HD2      LYS  14  -3.807  -2.525   1.306
  117    HD3  LYS  14           HD1      LYS  14  -2.529  -1.369   1.683
  118    HE2  LYS  14           HE2      LYS  14  -2.734  -4.018   3.119
  119    HE3  LYS  14           HE1      LYS  14  -1.873  -3.863   1.589
  120    HZ1  LYS  14           HZ1      LYS  14  -0.267  -3.517   3.227
  121    HZ2  LYS  14           HZ2      LYS  14  -1.289  -2.536   4.165
  122    HZ3  LYS  14           HZ3      LYS  14  -0.661  -1.955   2.697
  123    H    THR  15           HN       THR  15  -5.240   1.906   1.058
  124    HA   THR  15           HA       THR  15  -7.444   3.130   2.370
  125    HB   THR  15           HB       THR  15  -5.799   4.088   0.015
  126    HG1  THR  15           HG1      THR  15  -5.608   4.383   2.821
  127   HG21  THR  15          HG21      THR  15  -7.779   5.396   0.043
  128   HG22  THR  15          HG22      THR  15  -6.595   6.351   0.935
  129   HG23  THR  15          HG23      THR  15  -7.825   5.434   1.806
  130    H    ILE  16           HN       ILE  16  -6.906   2.103  -0.979
  131    HA   ILE  16           HA       ILE  16  -9.412   2.976  -1.988
  132    HB   ILE  16           HB       ILE  16  -7.504   0.829  -2.943
  133   HG12  ILE  16          HG12      ILE  16  -8.091   3.563  -4.101
  134   HG13  ILE  16          HG11      ILE  16  -6.819   3.297  -2.908
  135   HG21  ILE  16          HG21      ILE  16  -9.608   0.233  -3.889
  136   HG22  ILE  16          HG22      ILE  16  -8.799   1.178  -5.137
  137   HG23  ILE  16          HG23      ILE  16 -10.056   1.919  -4.147
  138   HD11  ILE  16          HD11      ILE  16  -5.744   1.661  -4.387
  139   HD12  ILE  16          HD12      ILE  16  -5.938   3.200  -5.227
  140   HD13  ILE  16          HD13      ILE  16  -7.034   1.862  -5.572
  141    H    HIS  17           HN       HIS  17  -8.315  -0.187  -0.783
  142    HA   HIS  17           HA       HIS  17 -10.778  -1.530  -1.202
  143    HB2  HIS  17           HB2      HIS  17  -8.423  -2.080   0.606
  144    HB3  HIS  17           HB1      HIS  17  -9.825  -3.147   0.531
  145    HD2  HIS  17           HD2      HIS  17  -9.352  -5.142  -1.302
  146    HE1  HIS  17           HE1      HIS  17  -6.922  -2.963  -3.980
  147    HE2  HIS  17           HE2      HIS  17  -7.974  -5.228  -3.519
  148    H    ARG  18           HN       ARG  18  -9.420   0.156   1.605
  149    HA   ARG  18           HA       ARG  18 -11.505  -0.494   3.413
  150    HB2  ARG  18           HB2      ARG  18  -9.265   0.421   4.069
  151    HB3  ARG  18           HB1      ARG  18  -9.753   1.979   3.413
  152    HG2  ARG  18           HG2      ARG  18 -10.310   2.263   5.662
  153    HG3  ARG  18           HG1      ARG  18 -11.841   1.671   5.028
  154    HD2  ARG  18           HD2      ARG  18 -11.179  -0.642   5.696
  155    HD3  ARG  18           HD1      ARG  18  -9.709   0.014   6.407
  156    HE   ARG  18           HE       ARG  18 -12.079   1.290   7.419
  157   HH11  ARG  18          HH21      ARG  18 -10.017  -1.481   7.626
  158   HH12  ARG  18          HH22      ARG  18 -10.433  -1.841   9.268
  159   HH21  ARG  18          HH11      ARG  18 -12.633   0.822   9.571
  160   HH22  ARG  18          HH12      ARG  18 -11.914  -0.537  10.370
  161    H    LEU  19           HN       LEU  19 -10.979   2.303   1.284
  162    HA   LEU  19           HA       LEU  19 -13.311   3.710   2.052
  163    HB2  LEU  19           HB2      LEU  19 -11.443   4.788   0.873
  164    HB3  LEU  19           HB1      LEU  19 -11.768   3.809  -0.555
  165    HG   LEU  19           HG       LEU  19 -14.000   4.839  -0.769
  166   HD11  LEU  19          HD11      LEU  19 -13.192   6.120   1.833
  167   HD12  LEU  19          HD12      LEU  19 -14.742   5.412   1.369
  168   HD13  LEU  19          HD13      LEU  19 -14.274   6.990   0.743
  169   HD21  LEU  19          HD21      LEU  19 -12.211   5.929  -1.961
  170   HD22  LEU  19          HD22      LEU  19 -11.667   6.753  -0.500
  171   HD23  LEU  19          HD23      LEU  19 -13.205   7.195  -1.239
  172    H    VAL  20           HN       VAL  20 -12.668   1.467  -0.624
  173    HA   VAL  20           HA       VAL  20 -15.241   1.647  -1.803
  174    HB   VAL  20           HB       VAL  20 -13.123  -0.511  -1.909
  175   HG11  VAL  20          HG11      VAL  20 -15.150  -1.632  -2.465
  176   HG12  VAL  20          HG12      VAL  20 -14.437  -1.182  -4.014
  177   HG13  VAL  20          HG13      VAL  20 -15.768  -0.236  -3.349
  178   HG21  VAL  20          HG21      VAL  20 -13.945   1.383  -4.113
  179   HG22  VAL  20          HG22      VAL  20 -12.425   0.511  -3.913
  180   HG23  VAL  20          HG23      VAL  20 -12.789   1.893  -2.882
  181    H    THR  21           HN       THR  21 -13.835  -0.698   0.489
  182    HA   THR  21           HA       THR  21 -16.282  -2.178   0.764
  183    HB   THR  21           HB       THR  21 -15.080  -3.366   2.549
  184    HG1  THR  21           HG1      THR  21 -13.159  -2.650   3.263
  185   HG21  THR  21          HG21      THR  21 -13.616  -2.813  -0.033
  186   HG22  THR  21          HG22      THR  21 -14.616  -4.205   0.380
  187   HG23  THR  21          HG23      THR  21 -13.033  -4.003   1.129
  188    H    GLY  22           HN       GLY  22 -15.429   0.848   1.812
  189    HA2  GLY  22           HA2      GLY  22 -16.366   0.768   4.522
  190    HA3  GLY  22           HA1      GLY  22 -16.092   2.213   3.553
  191    HN1  NH2  23           HT1      GLY  22 -19.568   0.829   2.096
  192    HN2  NH2  23           HT2      GLY  22 -17.997   0.239   1.664
  Start of MODEL    6
    1    H1   PHE   1           HT1      PHE   1  14.264   0.287   0.229
    2    H2   PHE   1           HT2      PHE   1  15.151   1.575   0.894
    3    H3   PHE   1           HT3      PHE   1  15.920   0.439  -0.108
    4    HA   PHE   1           HA       PHE   1  14.385   2.772  -0.809
    5    HB2  PHE   1           HB2      PHE   1  16.740   2.463  -1.428
    6    HB3  PHE   1           HB1      PHE   1  16.333   0.973  -2.280
    7    HD1  PHE   1           HD2      PHE   1  15.596   4.636  -2.190
    8    HD2  PHE   1           HD1      PHE   1  15.613   1.035  -4.532
    9    HE1  PHE   1           HE2      PHE   1  15.046   5.952  -4.218
   10    HE2  PHE   1           HE1      PHE   1  15.064   2.352  -6.561
   11    HZ   PHE   1           HZ       PHE   1  14.781   4.810  -6.404
   12    H    PHE   2           HN       PHE   2  14.679  -0.563  -2.044
   13    HA   PHE   2           HA       PHE   2  12.524  -0.269  -3.910
   14    HB2  PHE   2           HB2      PHE   2  13.949  -2.705  -2.819
   15    HB3  PHE   2           HB1      PHE   2  12.706  -2.776  -4.069
   16    HD1  PHE   2           HD1      PHE   2  13.085  -1.790  -6.291
   17    HD2  PHE   2           HD2      PHE   2  16.142  -1.760  -3.275
   18    HE1  PHE   2           HE1      PHE   2  14.777  -1.209  -8.011
   19    HE2  PHE   2           HE2      PHE   2  17.834  -1.180  -4.993
   20    HZ   PHE   2           HZ       PHE   2  17.150  -0.904  -7.361
   21    H    HIS   3           HN       HIS   3  12.879  -1.769  -0.740
   22    HA   HIS   3           HA       HIS   3  10.237  -2.763  -0.519
   23    HB2  HIS   3           HB2      HIS   3  12.136  -3.503   0.923
   24    HB3  HIS   3           HB1      HIS   3  12.077  -1.939   1.740
   25    HD2  HIS   3           HD2      HIS   3  10.155  -1.777   3.745
   26    HE1  HIS   3           HE1      HIS   3   8.089  -5.342   2.828
   27    HE2  HIS   3           HE2      HIS   3   8.263  -3.420   4.480
   28    H    HIS   4           HN       HIS   4  11.695   0.338   0.305
   29    HA   HIS   4           HA       HIS   4   9.515   1.392   1.791
   30    HB2  HIS   4           HB2      HIS   4  11.809   2.362   1.781
   31    HB3  HIS   4           HB1      HIS   4  11.546   2.894   0.121
   32    HD2  HIS   4           HD2      HIS   4  10.622   3.986   3.733
   33    HE1  HIS   4           HE1      HIS   4   8.620   6.596   1.088
   34    HE2  HIS   4           HE2      HIS   4   9.221   6.180   3.519
   35    H    ILE   5           HN       ILE   5  10.452   1.722  -1.614
   36    HA   ILE   5           HA       ILE   5   8.231   3.306  -2.391
   37    HB   ILE   5           HB       ILE   5  10.038   1.487  -4.001
   38   HG12  ILE   5          HG12      ILE   5  11.141   3.428  -2.950
   39   HG13  ILE   5          HG11      ILE   5  11.089   3.595  -4.698
   40   HG21  ILE   5          HG21      ILE   5   8.044   1.677  -5.289
   41   HG22  ILE   5          HG22      ILE   5   9.143   2.890  -5.949
   42   HG23  ILE   5          HG23      ILE   5   7.842   3.375  -4.860
   43   HD11  ILE   5          HD11      ILE   5   8.790   4.901  -4.052
   44   HD12  ILE   5          HD12      ILE   5  10.358   5.694  -4.157
   45   HD13  ILE   5          HD13      ILE   5   9.733   5.190  -2.591
   46    H    PHE   6           HN       PHE   6   8.804  -0.188  -2.450
   47    HA   PHE   6           HA       PHE   6   6.364  -0.906  -3.708
   48    HB2  PHE   6           HB2      PHE   6   8.357  -2.404  -3.471
   49    HB3  PHE   6           HB1      PHE   6   7.975  -2.566  -1.756
   50    HD1  PHE   6           HD1      PHE   6   6.818  -3.285  -5.192
   51    HD2  PHE   6           HD2      PHE   6   6.069  -3.858  -1.002
   52    HE1  PHE   6           HE1      PHE   6   5.153  -5.042  -5.731
   53    HE2  PHE   6           HE2      PHE   6   4.405  -5.614  -1.540
   54    HZ   PHE   6           HZ       PHE   6   3.945  -6.207  -3.904
   55    H    ARG   7           HN       ARG   7   7.325  -0.506  -0.355
   56    HA   ARG   7           HA       ARG   7   4.993  -1.469   0.888
   57    HB2  ARG   7           HB2      ARG   7   7.103  -0.979   2.100
   58    HB3  ARG   7           HB1      ARG   7   6.807   0.745   1.875
   59    HG2  ARG   7           HG2      ARG   7   4.681   0.546   3.114
   60    HG3  ARG   7           HG1      ARG   7   4.969  -1.180   3.332
   61    HD2  ARG   7           HD2      ARG   7   6.814   1.009   4.327
   62    HD3  ARG   7           HD1      ARG   7   5.621   0.179   5.320
   63    HE   ARG   7           HE       ARG   7   7.249  -1.764   4.099
   64   HH11  ARG   7          HH21      ARG   7   7.403   0.811   6.406
   65   HH12  ARG   7          HH22      ARG   7   8.688   0.097   7.322
   66   HH21  ARG   7          HH11      ARG   7   8.936  -2.705   5.296
   67   HH22  ARG   7          HH12      ARG   7   9.555  -1.893   6.695
   68    H    GLY   8           HN       GLY   8   5.800   1.768  -0.332
   69    HA2  GLY   8           HA2      GLY   8   3.418   3.019   0.637
   70    HA3  GLY   8           HA1      GLY   8   4.511   3.664  -0.583
   71    H    ILE   9           HN       ILE   9   4.340   1.492  -2.420
   72    HA   ILE   9           HA       ILE   9   2.057   2.270  -3.916
   73    HB   ILE   9           HB       ILE   9   3.936  -0.077  -4.208
   74   HG12  ILE   9          HG12      ILE   9   3.636   2.430  -5.883
   75   HG13  ILE   9          HG11      ILE   9   4.763   2.307  -4.535
   76   HG21  ILE   9          HG21      ILE   9   2.940  -0.095  -6.592
   77   HG22  ILE   9          HG22      ILE   9   1.591   0.805  -5.899
   78   HG23  ILE   9          HG23      ILE   9   1.969  -0.811  -5.306
   79   HD11  ILE   9          HD11      ILE   9   4.723   0.585  -7.028
   80   HD12  ILE   9          HD12      ILE   9   5.772   0.292  -5.641
   81   HD13  ILE   9          HD13      ILE   9   5.952   1.770  -6.587
   82    H    VAL  10           HN       VAL  10   2.746  -0.781  -2.188
   83    HA   VAL  10           HA       VAL  10   0.229  -1.962  -2.703
   84    HB   VAL  10           HB       VAL  10   2.224  -3.231  -1.962
   85   HG11  VAL  10          HG11      VAL  10   2.909  -3.183   0.363
   86   HG12  VAL  10          HG12      VAL  10   1.625  -2.041   0.760
   87   HG13  VAL  10          HG13      VAL  10   2.962  -1.545  -0.276
   88   HG21  VAL  10          HG21      VAL  10   1.024  -4.771  -0.535
   89   HG22  VAL  10          HG22      VAL  10  -0.132  -4.090  -1.681
   90   HG23  VAL  10          HG23      VAL  10  -0.087  -3.503  -0.019
   91    H    HIS  11           HN       HIS  11   1.360   0.201  -0.181
   92    HA   HIS  11           HA       HIS  11  -0.733  -0.089   1.666
   93    HB2  HIS  11           HB2      HIS  11   1.318   1.181   2.145
   94    HB3  HIS  11           HB1      HIS  11   0.840   2.403   0.968
   95    HD2  HIS  11           HD2      HIS  11  -1.090   4.236   1.888
   96    HE1  HIS  11           HE1      HIS  11  -1.625   2.517   5.707
   97    HE2  HIS  11           HE2      HIS  11  -2.191   4.511   4.240
   98    H    VAL  12           HN       VAL  12  -0.409   2.136  -1.091
   99    HA   VAL  12           HA       VAL  12  -2.703   3.620  -0.869
  100    HB   VAL  12           HB       VAL  12  -1.481   2.449  -3.378
  101   HG11  VAL  12          HG11      VAL  12  -2.694   4.441  -4.446
  102   HG12  VAL  12          HG12      VAL  12  -3.656   4.509  -2.968
  103   HG13  VAL  12          HG13      VAL  12  -3.700   3.068  -3.984
  104   HG21  VAL  12          HG21      VAL  12  -1.312   5.278  -2.325
  105   HG22  VAL  12          HG22      VAL  12  -0.285   4.497  -3.527
  106   HG23  VAL  12          HG23      VAL  12  -0.161   4.039  -1.829
  107    H    GLY  13           HN       GLY  13  -2.412   0.277  -1.946
  108    HA2  GLY  13           HA2      GLY  13  -5.053  -0.060  -2.906
  109    HA3  GLY  13           HA1      GLY  13  -3.984  -1.350  -2.365
  110    H    LYS  14           HN       LYS  14  -3.620  -0.380   0.298
  111    HA   LYS  14           HA       LYS  14  -5.791  -1.622   1.600
  112    HB2  LYS  14           HB2      LYS  14  -3.677   0.255   2.679
  113    HB3  LYS  14           HB1      LYS  14  -4.808  -0.646   3.685
  114    HG2  LYS  14           HG2      LYS  14  -3.966  -2.764   2.783
  115    HG3  LYS  14           HG1      LYS  14  -2.866  -1.890   1.716
  116    HD2  LYS  14           HD2      LYS  14  -1.779  -0.882   3.719
  117    HD3  LYS  14           HD1      LYS  14  -2.828  -1.858   4.749
  118    HE2  LYS  14           HE2      LYS  14  -0.845  -2.924   2.717
  119    HE3  LYS  14           HE1      LYS  14  -0.652  -2.961   4.469
  120    HZ1  LYS  14           HZ1      LYS  14  -2.734  -4.271   4.565
  121    HZ2  LYS  14           HZ2      LYS  14  -1.469  -5.066   3.756
  122    HZ3  LYS  14           HZ3      LYS  14  -2.730  -4.351   2.871
  123    H    THR  15           HN       THR  15  -5.010   1.804   1.097
  124    HA   THR  15           HA       THR  15  -7.193   2.839   2.592
  125    HB   THR  15           HB       THR  15  -5.810   4.171   0.256
  126    HG1  THR  15           HG1      THR  15  -4.114   3.975   1.470
  127   HG21  THR  15          HG21      THR  15  -6.364   6.220   1.537
  128   HG22  THR  15          HG22      THR  15  -7.181   5.227   2.746
  129   HG23  THR  15          HG23      THR  15  -7.813   5.313   1.102
  130    H    ILE  16           HN       ILE  16  -6.731   2.184  -0.854
  131    HA   ILE  16           HA       ILE  16  -9.255   3.133  -1.725
  132    HB   ILE  16           HB       ILE  16  -7.400   1.054  -2.914
  133   HG12  ILE  16          HG12      ILE  16  -7.947   3.916  -3.757
  134   HG13  ILE  16          HG11      ILE  16  -6.624   3.464  -2.680
  135   HG21  ILE  16          HG21      ILE  16  -9.950   2.310  -3.954
  136   HG22  ILE  16          HG22      ILE  16  -9.546   0.596  -3.852
  137   HG23  ILE  16          HG23      ILE  16  -8.735   1.625  -5.033
  138   HD11  ILE  16          HD11      ILE  16  -5.766   3.568  -4.951
  139   HD12  ILE  16          HD12      ILE  16  -7.052   2.507  -5.525
  140   HD13  ILE  16          HD13      ILE  16  -5.807   1.878  -4.445
  141    H    HIS  17           HN       HIS  17  -8.133  -0.114  -0.816
  142    HA   HIS  17           HA       HIS  17 -10.543  -1.481  -1.301
  143    HB2  HIS  17           HB2      HIS  17  -8.366  -2.601  -0.916
  144    HB3  HIS  17           HB1      HIS  17  -8.441  -2.124   0.782
  145    HD2  HIS  17           HD2      HIS  17  -9.890  -3.883   2.370
  146    HE1  HIS  17           HE1      HIS  17 -11.792  -6.021  -0.734
  147    HE2  HIS  17           HE2      HIS  17 -11.443  -5.897   1.777
  148    H    ARG  18           HN       ARG  18  -9.375   0.293   1.500
  149    HA   ARG  18           HA       ARG  18 -11.485  -0.504   3.258
  150    HB2  ARG  18           HB2      ARG  18  -9.226   0.455   3.944
  151    HB3  ARG  18           HB1      ARG  18  -9.855   2.030   3.466
  152    HG2  ARG  18           HG2      ARG  18 -10.457   2.046   5.709
  153    HG3  ARG  18           HG1      ARG  18 -11.906   1.312   5.026
  154    HD2  ARG  18           HD2      ARG  18 -11.253  -0.043   6.900
  155    HD3  ARG  18           HD1      ARG  18 -10.832  -0.948   5.450
  156    HE   ARG  18           HE       ARG  18  -8.659   0.680   6.406
  157   HH11  ARG  18          HH21      ARG  18 -10.382  -2.297   6.772
  158   HH12  ARG  18          HH22      ARG  18  -9.035  -3.155   7.440
  159   HH21  ARG  18          HH11      ARG  18  -6.886  -0.438   7.282
  160   HH22  ARG  18          HH12      ARG  18  -7.056  -2.102   7.728
  161    H    LEU  19           HN       LEU  19 -10.959   2.354   1.198
  162    HA   LEU  19           HA       LEU  19 -13.277   3.757   2.017
  163    HB2  LEU  19           HB2      LEU  19 -11.205   4.558   0.654
  164    HB3  LEU  19           HB1      LEU  19 -12.100   3.982  -0.748
  165    HG   LEU  19           HG       LEU  19 -13.166   5.973   1.278
  166   HD11  LEU  19          HD11      LEU  19 -11.376   7.032   0.083
  167   HD12  LEU  19          HD12      LEU  19 -12.879   7.587  -0.653
  168   HD13  LEU  19          HD13      LEU  19 -11.912   6.348  -1.453
  169   HD21  LEU  19          HD21      LEU  19 -15.079   5.068   0.321
  170   HD22  LEU  19          HD22      LEU  19 -14.283   4.694  -1.207
  171   HD23  LEU  19          HD23      LEU  19 -14.740   6.355  -0.828
  172    H    VAL  20           HN       VAL  20 -12.685   1.727  -0.850
  173    HA   VAL  20           HA       VAL  20 -15.315   1.901  -1.890
  174    HB   VAL  20           HB       VAL  20 -13.323   1.155  -3.191
  175   HG11  VAL  20          HG11      VAL  20 -13.693  -1.548  -1.903
  176   HG12  VAL  20          HG12      VAL  20 -12.579  -0.366  -1.223
  177   HG13  VAL  20          HG13      VAL  20 -12.336  -0.956  -2.864
  178   HG21  VAL  20          HG21      VAL  20 -14.534  -0.452  -4.516
  179   HG22  VAL  20          HG22      VAL  20 -15.725   0.662  -3.844
  180   HG23  VAL  20          HG23      VAL  20 -15.514  -0.938  -3.134
  181    H    THR  21           HN       THR  21 -13.757  -0.599   0.132
  182    HA   THR  21           HA       THR  21 -16.166  -2.151   0.355
  183    HB   THR  21           HB       THR  21 -13.787  -2.340   2.197
  184    HG1  THR  21           HG1      THR  21 -12.672  -3.323   0.647
  185   HG21  THR  21          HG21      THR  21 -14.367  -4.772   2.037
  186   HG22  THR  21          HG22      THR  21 -15.764  -4.336   1.056
  187   HG23  THR  21          HG23      THR  21 -15.660  -3.793   2.730
  188    H    GLY  22           HN       GLY  22 -15.363   0.795   1.601
  189    HA2  GLY  22           HA2      GLY  22 -16.062   0.566   4.339
  190    HA3  GLY  22           HA1      GLY  22 -16.088   2.047   3.387
  191    HN1  NH2  23           HT1      GLY  22 -19.512   0.251   2.304
  192    HN2  NH2  23           HT2      GLY  22 -17.942  -0.129   1.677
  Start of MODEL    7
    1    H1   PHE   1           HT1      PHE   1  15.436  -0.858  -0.138
    2    H2   PHE   1           HT2      PHE   1  13.923  -0.419   0.495
    3    H3   PHE   1           HT3      PHE   1  15.272   0.585   0.734
    4    HA   PHE   1           HA       PHE   1  14.191   1.679  -0.957
    5    HB2  PHE   1           HB2      PHE   1  16.562   1.094  -1.534
    6    HB3  PHE   1           HB1      PHE   1  15.957  -0.311  -2.410
    7    HD1  PHE   1           HD1      PHE   1  15.731   3.408  -2.222
    8    HD2  PHE   1           HD2      PHE   1  15.127  -0.102  -4.623
    9    HE1  PHE   1           HE1      PHE   1  15.291   4.836  -4.201
   10    HE2  PHE   1           HE2      PHE   1  14.686   1.325  -6.601
   11    HZ   PHE   1           HZ       PHE   1  14.768   3.795  -6.391
   12    H    PHE   2           HN       PHE   2  14.332  -1.778  -1.844
   13    HA   PHE   2           HA       PHE   2  12.221  -1.628  -3.747
   14    HB2  PHE   2           HB2      PHE   2  13.914  -3.439  -3.712
   15    HB3  PHE   2           HB1      PHE   2  13.218  -4.039  -2.206
   16    HD1  PHE   2           HD2      PHE   2  12.361  -3.242  -5.756
   17    HD2  PHE   2           HD1      PHE   2  11.363  -5.502  -2.241
   18    HE1  PHE   2           HE2      PHE   2  10.660  -4.502  -7.048
   19    HE2  PHE   2           HE1      PHE   2   9.663  -6.763  -3.535
   20    HZ   PHE   2           HZ       PHE   2   9.313  -6.263  -5.938
   21    H    HIS   3           HN       HIS   3  12.349  -2.785  -0.408
   22    HA   HIS   3           HA       HIS   3   9.587  -3.385  -0.183
   23    HB2  HIS   3           HB2      HIS   3   9.984  -3.450   2.239
   24    HB3  HIS   3           HB1      HIS   3  11.263  -4.298   1.371
   25    HD2  HIS   3           HD2      HIS   3  10.919  -1.429   3.892
   26    HE1  HIS   3           HE1      HIS   3  14.818  -1.133   2.296
   27    HE2  HIS   3           HE2      HIS   3  13.263  -0.299   4.122
   28    H    HIS   4           HN       HIS   4  11.447  -0.452   0.367
   29    HA   HIS   4           HA       HIS   4   9.423   1.017   1.724
   30    HB2  HIS   4           HB2      HIS   4  11.794   1.679   1.749
   31    HB3  HIS   4           HB1      HIS   4  11.715   2.023   0.021
   32    HD2  HIS   4           HD2      HIS   4  10.859   4.595  -0.556
   33    HE1  HIS   4           HE1      HIS   4   9.268   5.541   3.238
   34    HE2  HIS   4           HE2      HIS   4   9.777   6.455   0.924
   35    H    ILE   5           HN       ILE   5  10.392   0.861  -1.690
   36    HA   ILE   5           HA       ILE   5   8.501   2.734  -2.653
   37    HB   ILE   5           HB       ILE   5   9.911   0.436  -4.027
   38   HG12  ILE   5          HG12      ILE   5  10.354   3.419  -4.298
   39   HG13  ILE   5          HG11      ILE   5  11.214   2.445  -3.106
   40   HG21  ILE   5          HG21      ILE   5   9.259   1.773  -6.124
   41   HG22  ILE   5          HG22      ILE   5   8.072   2.584  -5.101
   42   HG23  ILE   5          HG23      ILE   5   7.974   0.842  -5.354
   43   HD11  ILE   5          HD11      ILE   5  12.346   2.815  -5.411
   44   HD12  ILE   5          HD12      ILE   5  11.172   1.646  -6.016
   45   HD13  ILE   5          HD13      ILE   5  12.318   1.178  -4.760
   46    H    PHE   6           HN       PHE   6   8.379  -0.800  -2.330
   47    HA   PHE   6           HA       PHE   6   5.803  -1.095  -3.515
   48    HB2  PHE   6           HB2      PHE   6   7.593  -2.836  -1.850
   49    HB3  PHE   6           HB1      PHE   6   5.926  -3.334  -2.129
   50    HD1  PHE   6           HD2      PHE   6   8.631  -1.733  -4.204
   51    HD2  PHE   6           HD1      PHE   6   5.707  -4.862  -3.873
   52    HE1  PHE   6           HE2      PHE   6   9.248  -2.547  -6.462
   53    HE2  PHE   6           HE1      PHE   6   6.323  -5.675  -6.132
   54    HZ   PHE   6           HZ       PHE   6   8.093  -4.519  -7.427
   55    H    ARG   7           HN       ARG   7   6.944  -0.599  -0.225
   56    HA   ARG   7           HA       ARG   7   4.516  -1.092   1.121
   57    HB2  ARG   7           HB2      ARG   7   6.713  -0.884   2.255
   58    HB3  ARG   7           HB1      ARG   7   6.713   0.842   1.896
   59    HG2  ARG   7           HG2      ARG   7   4.656   1.142   3.200
   60    HG3  ARG   7           HG1      ARG   7   4.586  -0.592   3.515
   61    HD2  ARG   7           HD2      ARG   7   6.896   1.187   4.333
   62    HD3  ARG   7           HD1      ARG   7   5.570   0.739   5.403
   63    HE   ARG   7           HE       ARG   7   6.647  -1.622   4.330
   64   HH11  ARG   7          HH21      ARG   7   7.525   1.024   6.381
   65   HH12  ARG   7          HH22      ARG   7   8.641   0.098   7.329
   66   HH21  ARG   7          HH11      ARG   7   8.108  -2.843   5.569
   67   HH22  ARG   7          HH12      ARG   7   8.970  -2.091   6.869
   68    H    GLY   8           HN       GLY   8   5.849   1.880  -0.299
   69    HA2  GLY   8           HA2      GLY   8   3.817   3.635   0.607
   70    HA3  GLY   8           HA1      GLY   8   4.890   3.916  -0.758
   71    H    ILE   9           HN       ILE   9   4.129   1.592  -2.234
   72    HA   ILE   9           HA       ILE   9   1.898   2.635  -3.675
   73    HB   ILE   9           HB       ILE   9   3.270  -0.059  -3.805
   74   HG12  ILE   9          HG12      ILE   9   3.327   2.304  -5.710
   75   HG13  ILE   9          HG11      ILE   9   4.544   2.028  -4.466
   76   HG21  ILE   9          HG21      ILE   9   2.077  -0.145  -6.078
   77   HG22  ILE   9          HG22      ILE   9   1.034   1.134  -5.459
   78   HG23  ILE   9          HG23      ILE   9   1.074  -0.436  -4.658
   79   HD11  ILE   9          HD11      ILE   9   3.902   0.287  -6.854
   80   HD12  ILE   9          HD12      ILE   9   4.861  -0.296  -5.496
   81   HD13  ILE   9          HD13      ILE   9   5.435   1.062  -6.461
   82    H    VAL  10           HN       VAL  10   2.273  -0.079  -1.436
   83    HA   VAL  10           HA       VAL  10  -0.364  -1.058  -1.586
   84    HB   VAL  10           HB       VAL  10   1.626  -1.176   0.691
   85   HG11  VAL  10          HG11      VAL  10   0.179  -3.210   1.308
   86   HG12  VAL  10          HG12      VAL  10  -1.044  -2.519   0.243
   87   HG13  VAL  10          HG13      VAL  10  -0.499  -1.621   1.660
   88   HG21  VAL  10          HG21      VAL  10   2.225  -3.315  -0.196
   89   HG22  VAL  10          HG22      VAL  10   2.192  -2.223  -1.578
   90   HG23  VAL  10          HG23      VAL  10   0.848  -3.324  -1.296
   91    H    HIS  11           HN       HIS  11   1.112   1.414   0.462
   92    HA   HIS  11           HA       HIS  11  -1.017   1.847   2.236
   93    HB2  HIS  11           HB2      HIS  11   1.239   2.830   2.514
   94    HB3  HIS  11           HB1      HIS  11   0.927   3.898   1.146
   95    HD2  HIS  11           HD2      HIS  11  -0.747   6.098   1.719
   96    HE1  HIS  11           HE1      HIS  11  -1.401   5.163   5.783
   97    HE2  HIS  11           HE2      HIS  11  -1.746   6.924   3.986
   98    H    VAL  12           HN       VAL  12  -0.347   3.260  -0.945
   99    HA   VAL  12           HA       VAL  12  -2.487   5.094  -1.000
  100    HB   VAL  12           HB       VAL  12  -1.094   3.637  -3.261
  101   HG11  VAL  12          HG11      VAL  12  -3.097   5.908  -3.258
  102   HG12  VAL  12          HG12      VAL  12  -3.199   4.379  -4.132
  103   HG13  VAL  12          HG13      VAL  12  -2.015   5.595  -4.615
  104   HG21  VAL  12          HG21      VAL  12   0.048   5.846  -3.508
  105   HG22  VAL  12          HG22      VAL  12   0.377   5.086  -1.953
  106   HG23  VAL  12          HG23      VAL  12  -0.783   6.407  -2.056
  107    H    GLY  13           HN       GLY  13  -2.276   1.729  -2.127
  108    HA2  GLY  13           HA2      GLY  13  -4.944   1.574  -3.104
  109    HA3  GLY  13           HA1      GLY  13  -3.903   0.204  -2.727
  110    H    LYS  14           HN       LYS  14  -3.502   1.144   0.029
  111    HA   LYS  14           HA       LYS  14  -5.437  -0.359   1.357
  112    HB2  LYS  14           HB2      LYS  14  -3.236   0.401   2.308
  113    HB3  LYS  14           HB1      LYS  14  -3.954   1.993   2.551
  114    HG2  LYS  14           HG2      LYS  14  -5.769   0.888   3.909
  115    HG3  LYS  14           HG1      LYS  14  -4.866  -0.619   3.786
  116    HD2  LYS  14           HD2      LYS  14  -3.664   1.933   4.883
  117    HD3  LYS  14           HD1      LYS  14  -4.445   0.728   5.902
  118    HE2  LYS  14           HE2      LYS  14  -2.838  -0.978   4.845
  119    HE3  LYS  14           HE1      LYS  14  -1.949   0.412   4.225
  120    HZ1  LYS  14           HZ1      LYS  14  -1.812  -0.705   6.764
  121    HZ2  LYS  14           HZ2      LYS  14  -2.533   0.824   6.943
  122    HZ3  LYS  14           HZ3      LYS  14  -1.015   0.677   6.192
  123    H    THR  15           HN       THR  15  -5.356   3.134   0.712
  124    HA   THR  15           HA       THR  15  -7.688   3.793   2.191
  125    HB   THR  15           HB       THR  15  -6.611   5.227  -0.242
  126    HG1  THR  15           HG1      THR  15  -4.928   5.517   0.957
  127   HG21  THR  15          HG21      THR  15  -8.811   5.990   0.529
  128   HG22  THR  15          HG22      THR  15  -7.582   7.200   0.901
  129   HG23  THR  15          HG23      THR  15  -8.195   6.145   2.174
  130    H    ILE  16           HN       ILE  16  -7.163   3.058  -1.233
  131    HA   ILE  16           HA       ILE  16  -9.875   3.396  -2.035
  132    HB   ILE  16           HB       ILE  16  -7.510   1.971  -3.251
  133   HG12  ILE  16          HG12      ILE  16  -7.724   3.733  -4.930
  134   HG13  ILE  16          HG11      ILE  16  -9.216   4.305  -4.184
  135   HG21  ILE  16          HG21      ILE  16  -9.075   1.767  -5.308
  136   HG22  ILE  16          HG22      ILE  16 -10.394   1.931  -4.148
  137   HG23  ILE  16          HG23      ILE  16  -9.270   0.582  -4.014
  138   HD11  ILE  16          HD11      ILE  16  -7.021   5.557  -3.605
  139   HD12  ILE  16          HD12      ILE  16  -6.657   4.155  -2.603
  140   HD13  ILE  16          HD13      ILE  16  -8.093   5.119  -2.276
  141    H    HIS  17           HN       HIS  17  -7.993   0.526  -1.108
  142    HA   HIS  17           HA       HIS  17 -10.074  -1.349  -1.474
  143    HB2  HIS  17           HB2      HIS  17  -7.566  -1.367   0.202
  144    HB3  HIS  17           HB1      HIS  17  -8.672  -2.739   0.162
  145    HD2  HIS  17           HD2      HIS  17  -7.335  -0.589  -2.926
  146    HE1  HIS  17           HE1      HIS  17  -6.586  -4.682  -3.639
  147    HE2  HIS  17           HE2      HIS  17  -6.407  -2.347  -4.619
  148    H    ARG  18           HN       ARG  18  -9.066   0.562   1.326
  149    HA   ARG  18           HA       ARG  18 -10.771  -0.655   3.228
  150    HB2  ARG  18           HB2      ARG  18  -8.883   0.857   3.807
  151    HB3  ARG  18           HB1      ARG  18  -9.804   2.215   3.162
  152    HG2  ARG  18           HG2      ARG  18 -11.606   1.768   4.802
  153    HG3  ARG  18           HG1      ARG  18 -10.666   0.426   5.455
  154    HD2  ARG  18           HD2      ARG  18  -8.811   2.055   5.937
  155    HD3  ARG  18           HD1      ARG  18  -9.895   3.355   5.449
  156    HE   ARG  18           HE       ARG  18 -11.063   1.672   7.464
  157   HH11  ARG  18          HH21      ARG  18  -8.861   4.270   6.850
  158   HH12  ARG  18          HH22      ARG  18  -9.035   4.972   8.422
  159   HH21  ARG  18          HH11      ARG  18 -11.295   2.587   9.530
  160   HH22  ARG  18          HH12      ARG  18 -10.411   4.019   9.941
  161    H    LEU  19           HN       LEU  19 -11.215   2.200   1.152
  162    HA   LEU  19           HA       LEU  19 -13.819   2.832   2.065
  163    HB2  LEU  19           HB2      LEU  19 -12.399   3.442  -0.532
  164    HB3  LEU  19           HB1      LEU  19 -13.976   4.103  -0.110
  165    HG   LEU  19           HG       LEU  19 -11.523   4.404   1.646
  166   HD11  LEU  19          HD11      LEU  19 -11.078   5.512  -0.480
  167   HD12  LEU  19          HD12      LEU  19 -11.427   6.732   0.746
  168   HD13  LEU  19          HD13      LEU  19 -12.660   6.293  -0.437
  169   HD21  LEU  19          HD21      LEU  19 -14.343   5.465   1.692
  170   HD22  LEU  19          HD22      LEU  19 -13.048   6.459   2.351
  171   HD23  LEU  19          HD23      LEU  19 -13.355   4.861   3.021
  172    H    VAL  20           HN       VAL  20 -12.677   0.896  -0.681
  173    HA   VAL  20           HA       VAL  20 -15.264   0.305  -1.706
  174    HB   VAL  20           HB       VAL  20 -12.603  -1.098  -2.029
  175   HG11  VAL  20          HG11      VAL  20 -15.309  -1.609  -3.277
  176   HG12  VAL  20          HG12      VAL  20 -14.227  -2.768  -2.507
  177   HG13  VAL  20          HG13      VAL  20 -13.811  -2.084  -4.079
  178   HG21  VAL  20          HG21      VAL  20 -12.940   1.269  -2.921
  179   HG22  VAL  20          HG22      VAL  20 -14.171   0.598  -3.989
  180   HG23  VAL  20          HG23      VAL  20 -12.497   0.062  -4.128
  181    H    THR  21           HN       THR  21 -13.045  -1.499   0.425
  182    HA   THR  21           HA       THR  21 -14.877  -3.686   0.785
  183    HB   THR  21           HB       THR  21 -12.415  -2.923   2.375
  184    HG1  THR  21           HG1      THR  21 -11.499  -4.584   1.026
  185   HG21  THR  21          HG21      THR  21 -13.538  -4.475   3.716
  186   HG22  THR  21          HG22      THR  21 -12.518  -5.517   2.726
  187   HG23  THR  21          HG23      THR  21 -14.227  -5.325   2.332
  188    H    GLY  22           HN       GLY  22 -15.009  -0.567   1.835
  189    HA2  GLY  22           HA2      GLY  22 -16.118   0.516   3.526
  190    HA3  GLY  22           HA1      GLY  22 -17.077  -0.955   3.669
  191    HN1  NH2  23           HT1      GLY  22 -13.787  -1.836   5.801
  192    HN2  NH2  23           HT2      GLY  22 -13.911  -1.918   4.076
  Start of MODEL    8
    1    H1   PHE   1           HT1      PHE   1  14.482   0.614   0.118
    2    H2   PHE   1           HT2      PHE   1  14.653   2.067   0.983
    3    H3   PHE   1           HT3      PHE   1  15.965   1.439   0.105
    4    HA   PHE   1           HA       PHE   1  14.043   3.251  -0.762
    5    HB2  PHE   1           HB2      PHE   1  16.222   1.694  -2.188
    6    HB3  PHE   1           HB1      PHE   1  15.382   3.084  -2.877
    7    HD1  PHE   1           HD1      PHE   1  15.645   5.336  -1.889
    8    HD2  PHE   1           HD2      PHE   1  17.847   1.957  -0.414
    9    HE1  PHE   1           HE1      PHE   1  17.185   6.864  -0.689
   10    HE2  PHE   1           HE2      PHE   1  19.388   3.484   0.786
   11    HZ   PHE   1           HZ       PHE   1  19.058   5.939   0.648
   12    H    PHE   2           HN       PHE   2  14.705  -0.072  -1.877
   13    HA   PHE   2           HA       PHE   2  12.559  -0.093  -3.770
   14    HB2  PHE   2           HB2      PHE   2  14.591  -1.565  -3.885
   15    HB3  PHE   2           HB1      PHE   2  13.944  -2.474  -2.519
   16    HD1  PHE   2           HD2      PHE   2  13.114  -1.324  -5.976
   17    HD2  PHE   2           HD1      PHE   2  12.331  -4.169  -2.855
   18    HE1  PHE   2           HE2      PHE   2  11.682  -2.630  -7.524
   19    HE2  PHE   2           HE1      PHE   2  10.899  -5.474  -4.401
   20    HZ   PHE   2           HZ       PHE   2  10.575  -4.706  -6.737
   21    H    HIS   3           HN       HIS   3  12.997  -1.514  -0.556
   22    HA   HIS   3           HA       HIS   3  10.457  -2.706  -0.336
   23    HB2  HIS   3           HB2      HIS   3  10.867  -2.678   2.108
   24    HB3  HIS   3           HB1      HIS   3  12.268  -3.259   1.206
   25    HD2  HIS   3           HD2      HIS   3  11.212  -0.110   3.317
   26    HE1  HIS   3           HE1      HIS   3  15.316   0.234   2.392
   27    HE2  HIS   3           HE2      HIS   3  13.407   1.243   3.729
   28    H    HIS   4           HN       HIS   4  11.566   0.569   0.311
   29    HA   HIS   4           HA       HIS   4   9.238   1.471   1.676
   30    HB2  HIS   4           HB2      HIS   4  11.386   2.677   1.760
   31    HB3  HIS   4           HB1      HIS   4  11.239   3.052   0.042
   32    HD2  HIS   4           HD2      HIS   4   9.912   5.430  -0.412
   33    HE1  HIS   4           HE1      HIS   4   7.909   5.719   3.294
   34    HE2  HIS   4           HE2      HIS   4   8.344   6.889   1.082
   35    H    ILE   5           HN       ILE   5  10.254   1.623  -1.721
   36    HA   ILE   5           HA       ILE   5   7.981   3.022  -2.674
   37    HB   ILE   5           HB       ILE   5   9.904   1.145  -4.072
   38   HG12  ILE   5          HG12      ILE   5   9.648   4.159  -4.243
   39   HG13  ILE   5          HG11      ILE   5  10.716   3.359  -3.090
   40   HG21  ILE   5          HG21      ILE   5   8.982   2.353  -6.147
   41   HG22  ILE   5          HG22      ILE   5   7.630   2.839  -5.125
   42   HG23  ILE   5          HG23      ILE   5   7.940   1.128  -5.420
   43   HD11  ILE   5          HD11      ILE   5  11.819   2.177  -4.992
   44   HD12  ILE   5          HD12      ILE   5  11.988   3.929  -5.093
   45   HD13  ILE   5          HD13      ILE   5  10.810   3.095  -6.110
   46    H    PHE   6           HN       PHE   6   8.719  -0.444  -2.433
   47    HA   PHE   6           HA       PHE   6   6.336  -1.367  -3.659
   48    HB2  PHE   6           HB2      PHE   6   8.395  -2.745  -3.297
   49    HB3  PHE   6           HB1      PHE   6   8.004  -2.796  -1.578
   50    HD1  PHE   6           HD1      PHE   6   6.563  -3.534  -4.952
   51    HD2  PHE   6           HD2      PHE   6   6.515  -4.425  -0.751
   52    HE1  PHE   6           HE1      PHE   6   4.999  -5.413  -5.369
   53    HE2  PHE   6           HE2      PHE   6   4.951  -6.305  -1.168
   54    HZ   PHE   6           HZ       PHE   6   4.194  -6.799  -3.477
   55    H    ARG   7           HN       ARG   7   7.227  -0.724  -0.314
   56    HA   ARG   7           HA       ARG   7   4.856  -1.687   0.891
   57    HB2  ARG   7           HB2      ARG   7   6.881   0.374   1.781
   58    HB3  ARG   7           HB1      ARG   7   5.524  -0.132   2.788
   59    HG2  ARG   7           HG2      ARG   7   7.111  -2.377   1.615
   60    HG3  ARG   7           HG1      ARG   7   7.978  -1.391   2.789
   61    HD2  ARG   7           HD2      ARG   7   6.834  -3.273   3.897
   62    HD3  ARG   7           HD1      ARG   7   6.169  -1.730   4.427
   63    HE   ARG   7           HE       ARG   7   4.765  -2.951   2.194
   64   HH11  ARG   7          HH21      ARG   7   5.090  -2.625   5.624
   65   HH12  ARG   7          HH22      ARG   7   3.454  -3.087   5.960
   66   HH21  ARG   7          HH11      ARG   7   2.620  -3.555   2.627
   67   HH22  ARG   7          HH12      ARG   7   2.056  -3.612   4.264
   68    H    GLY   8           HN       GLY   8   5.736   1.473  -0.436
   69    HA2  GLY   8           HA2      GLY   8   3.501   2.930   0.490
   70    HA3  GLY   8           HA1      GLY   8   4.483   3.339  -0.911
   71    H    ILE   9           HN       ILE   9   3.995   0.863  -2.301
   72    HA   ILE   9           HA       ILE   9   1.636   1.584  -3.726
   73    HB   ILE   9           HB       ILE   9   3.293  -0.948  -3.766
   74   HG12  ILE   9          HG12      ILE   9   3.074   1.321  -5.773
   75   HG13  ILE   9          HG11      ILE   9   4.327   1.233  -4.535
   76   HG21  ILE   9          HG21      ILE   9   0.920  -0.074  -5.432
   77   HG22  ILE   9          HG22      ILE   9   1.141  -1.598  -4.571
   78   HG23  ILE   9          HG23      ILE   9   2.090  -1.258  -6.017
   79   HD11  ILE   9          HD11      ILE   9   5.292   0.279  -6.507
   80   HD12  ILE   9          HD12      ILE   9   3.851  -0.684  -6.825
   81   HD13  ILE   9          HD13      ILE   9   4.892  -1.081  -5.461
   82    H    VAL  10           HN       VAL  10   2.343  -0.968  -1.379
   83    HA   VAL  10           HA       VAL  10  -0.167  -2.240  -1.441
   84    HB   VAL  10           HB       VAL  10   1.831  -2.009   0.820
   85   HG11  VAL  10          HG11      VAL  10  -0.650  -3.696   0.444
   86   HG12  VAL  10          HG12      VAL  10  -0.231  -2.666   1.814
   87   HG13  VAL  10          HG13      VAL  10   0.647  -4.171   1.541
   88   HG21  VAL  10          HG21      VAL  10   1.349  -4.081  -1.342
   89   HG22  VAL  10          HG22      VAL  10   2.411  -4.333   0.043
   90   HG23  VAL  10          HG23      VAL  10   2.786  -3.079  -1.139
   91    H    HIS  11           HN       HIS  11   1.054   0.432   0.538
   92    HA   HIS  11           HA       HIS  11  -1.141   0.718   2.262
   93    HB2  HIS  11           HB2      HIS  11   0.999   1.894   2.587
   94    HB3  HIS  11           HB1      HIS  11   0.669   2.884   1.165
   95    HD2  HIS  11           HD2      HIS  11  -0.701   5.199   1.780
   96    HE1  HIS  11           HE1      HIS  11  -2.297   3.985   5.496
   97    HE2  HIS  11           HE2      HIS  11  -2.103   5.920   3.862
   98    H    VAL  12           HN       VAL  12  -0.545   2.078  -0.953
   99    HA   VAL  12           HA       VAL  12  -2.804   3.754  -1.096
  100    HB   VAL  12           HB       VAL  12  -1.306   2.294  -3.285
  101   HG11  VAL  12          HG11      VAL  12  -3.483   4.391  -3.371
  102   HG12  VAL  12          HG12      VAL  12  -3.421   2.850  -4.228
  103   HG13  VAL  12          HG13      VAL  12  -2.349   4.169  -4.704
  104   HG21  VAL  12          HG21      VAL  12  -0.122   4.026  -1.807
  105   HG22  VAL  12          HG22      VAL  12  -1.211   5.219  -2.511
  106   HG23  VAL  12          HG23      VAL  12  -0.089   4.333  -3.543
  107    H    GLY  13           HN       GLY  13  -2.363   0.354  -2.050
  108    HA2  GLY  13           HA2      GLY  13  -4.979  -0.033  -3.072
  109    HA3  GLY  13           HA1      GLY  13  -3.883  -1.306  -2.541
  110    H    LYS  14           HN       LYS  14  -3.579  -0.362   0.140
  111    HA   LYS  14           HA       LYS  14  -5.747  -1.674   1.387
  112    HB2  LYS  14           HB2      LYS  14  -3.635   0.181   2.509
  113    HB3  LYS  14           HB1      LYS  14  -4.780  -0.710   3.508
  114    HG2  LYS  14           HG2      LYS  14  -3.140  -2.209   1.470
  115    HG3  LYS  14           HG1      LYS  14  -2.395  -1.748   2.998
  116    HD2  LYS  14           HD2      LYS  14  -4.200  -2.906   4.227
  117    HD3  LYS  14           HD1      LYS  14  -4.950  -3.369   2.705
  118    HE2  LYS  14           HE2      LYS  14  -2.920  -4.627   2.081
  119    HE3  LYS  14           HE1      LYS  14  -2.171  -4.170   3.610
  120    HZ1  LYS  14           HZ1      LYS  14  -3.228  -5.810   4.623
  121    HZ2  LYS  14           HZ2      LYS  14  -3.835  -6.330   3.125
  122    HZ3  LYS  14           HZ3      LYS  14  -4.734  -5.251   4.080
  123    H    THR  15           HN       THR  15  -4.993   1.770   0.999
  124    HA   THR  15           HA       THR  15  -7.205   2.742   2.485
  125    HB   THR  15           HB       THR  15  -5.817   4.149   0.196
  126    HG1  THR  15           HG1      THR  15  -4.684   3.160   2.282
  127   HG21  THR  15          HG21      THR  15  -7.114   5.196   2.725
  128   HG22  THR  15          HG22      THR  15  -7.895   5.169   1.145
  129   HG23  THR  15          HG23      THR  15  -6.459   6.160   1.402
  130    H    ILE  16           HN       ILE  16  -6.713   2.100  -0.949
  131    HA   ILE  16           HA       ILE  16  -9.208   3.083  -1.860
  132    HB   ILE  16           HB       ILE  16  -7.381   0.956  -3.008
  133   HG12  ILE  16          HG12      ILE  16  -7.857   3.806  -3.917
  134   HG13  ILE  16          HG11      ILE  16  -6.585   3.376  -2.773
  135   HG21  ILE  16          HG21      ILE  16  -8.670   1.527  -5.149
  136   HG22  ILE  16          HG22      ILE  16  -9.879   2.269  -4.101
  137   HG23  ILE  16          HG23      ILE  16  -9.532   0.546  -3.964
  138   HD11  ILE  16          HD11      ILE  16  -5.651   1.785  -4.427
  139   HD12  ILE  16          HD12      ILE  16  -5.688   3.431  -5.062
  140   HD13  ILE  16          HD13      ILE  16  -6.901   2.259  -5.576
  141    H    HIS  17           HN       HIS  17  -8.172  -0.184  -0.901
  142    HA   HIS  17           HA       HIS  17 -10.649  -1.457  -1.410
  143    HB2  HIS  17           HB2      HIS  17  -8.514  -2.676  -1.114
  144    HB3  HIS  17           HB1      HIS  17  -8.511  -2.224   0.592
  145    HD2  HIS  17           HD2      HIS  17  -9.994  -3.928   2.209
  146    HE1  HIS  17           HE1      HIS  17 -12.032  -5.991  -0.858
  147    HE2  HIS  17           HE2      HIS  17 -11.622  -5.889   1.646
  148    H    ARG  18           HN       ARG  18  -9.266  -0.039   1.518
  149    HA   ARG  18           HA       ARG  18 -11.461  -0.703   3.218
  150    HB2  ARG  18           HB2      ARG  18  -9.244   1.332   3.452
  151    HB3  ARG  18           HB1      ARG  18 -10.464   1.104   4.703
  152    HG2  ARG  18           HG2      ARG  18  -9.837  -1.252   4.927
  153    HG3  ARG  18           HG1      ARG  18  -8.661  -1.082   3.623
  154    HD2  ARG  18           HD2      ARG  18  -7.412   0.571   4.945
  155    HD3  ARG  18           HD1      ARG  18  -8.597   0.443   6.242
  156    HE   ARG  18           HE       ARG  18  -7.667  -2.137   5.781
  157   HH11  ARG  18          HH21      ARG  18  -6.405   0.951   6.699
  158   HH12  ARG  18          HH22      ARG  18  -5.121   0.295   7.658
  159   HH21  ARG  18          HH11      ARG  18  -5.987  -3.005   7.036
  160   HH22  ARG  18          HH12      ARG  18  -4.883  -1.944   7.850
  161    H    LEU  19           HN       LEU  19 -10.579   2.245   1.442
  162    HA   LEU  19           HA       LEU  19 -12.764   3.803   2.335
  163    HB2  LEU  19           HB2      LEU  19 -10.783   4.814   1.298
  164    HB3  LEU  19           HB1      LEU  19 -11.165   4.027  -0.230
  165    HG   LEU  19           HG       LEU  19 -13.305   5.279  -0.335
  166   HD11  LEU  19          HD11      LEU  19 -13.995   5.725   1.849
  167   HD12  LEU  19          HD12      LEU  19 -13.350   7.298   1.388
  168   HD13  LEU  19          HD13      LEU  19 -12.383   6.205   2.377
  169   HD21  LEU  19          HD21      LEU  19 -11.342   6.273  -1.401
  170   HD22  LEU  19          HD22      LEU  19 -10.847   6.997   0.131
  171   HD23  LEU  19          HD23      LEU  19 -12.322   7.544  -0.666
  172    H    VAL  20           HN       VAL  20 -12.316   1.810  -0.568
  173    HA   VAL  20           HA       VAL  20 -14.833   2.399  -1.734
  174    HB   VAL  20           HB       VAL  20 -12.935   0.071  -2.078
  175   HG11  VAL  20          HG11      VAL  20 -15.044  -0.829  -2.712
  176   HG12  VAL  20          HG12      VAL  20 -14.323  -0.279  -4.224
  177   HG13  VAL  20          HG13      VAL  20 -15.566   0.692  -3.433
  178   HG21  VAL  20          HG21      VAL  20 -13.636   2.278  -4.025
  179   HG22  VAL  20          HG22      VAL  20 -12.235   1.207  -4.046
  180   HG23  VAL  20          HG23      VAL  20 -12.358   2.475  -2.827
  181    H    THR  21           HN       THR  21 -13.741  -0.318   0.305
  182    HA   THR  21           HA       THR  21 -16.322  -1.565   0.359
  183    HB   THR  21           HB       THR  21 -15.305  -3.011   2.089
  184    HG1  THR  21           HG1      THR  21 -12.991  -2.562   2.411
  185   HG21  THR  21          HG21      THR  21 -13.757  -2.423  -0.436
  186   HG22  THR  21          HG22      THR  21 -14.909  -3.725  -0.138
  187   HG23  THR  21          HG23      THR  21 -13.323  -3.758   0.631
  188    H    GLY  22           HN       GLY  22 -18.004  -1.182   1.690
  189    HA2  GLY  22           HA2      GLY  22 -19.272  -0.253   3.355
  190    HA3  GLY  22           HA1      GLY  22 -17.852  -0.437   4.380
  191    HN1  NH2  23           HT1      GLY  22 -17.077   2.980   2.418
  192    HN2  NH2  23           HT2      GLY  22 -16.831   1.387   1.784
  Start of MODEL    9
    1    H1   PHE   1           HT1      PHE   1  14.469  -0.030   0.514
    2    H2   PHE   1           HT2      PHE   1  15.262   1.265   1.276
    3    H3   PHE   1           HT3      PHE   1  16.104   0.272   0.185
    4    HA   PHE   1           HA       PHE   1  14.386   2.528  -0.320
    5    HB2  PHE   1           HB2      PHE   1  16.447   1.019  -1.958
    6    HB3  PHE   1           HB1      PHE   1  15.740   2.574  -2.393
    7    HD1  PHE   1           HD1      PHE   1  16.013   4.531  -0.754
    8    HD2  PHE   1           HD2      PHE   1  18.311   0.910  -0.502
    9    HE1  PHE   1           HE1      PHE   1  17.697   5.696   0.644
   10    HE2  PHE   1           HE2      PHE   1  19.995   2.075   0.896
   11    HZ   PHE   1           HZ       PHE   1  19.689   4.469   1.470
   12    H    PHE   2           HN       PHE   2  14.813  -0.764  -1.605
   13    HA   PHE   2           HA       PHE   2  12.768  -0.508  -3.591
   14    HB2  PHE   2           HB2      PHE   2  14.126  -2.912  -2.362
   15    HB3  PHE   2           HB1      PHE   2  12.947  -3.026  -3.669
   16    HD1  PHE   2           HD1      PHE   2  13.411  -1.951  -5.874
   17    HD2  PHE   2           HD2      PHE   2  16.363  -2.130  -2.758
   18    HE1  PHE   2           HE1      PHE   2  15.185  -1.418  -7.524
   19    HE2  PHE   2           HE2      PHE   2  18.137  -1.596  -4.407
   20    HZ   PHE   2           HZ       PHE   2  17.548  -1.241  -6.790
   21    H    HIS   3           HN       HIS   3  12.914  -2.158  -0.460
   22    HA   HIS   3           HA       HIS   3  10.298  -3.114  -0.337
   23    HB2  HIS   3           HB2      HIS   3  12.079  -2.153   1.916
   24    HB3  HIS   3           HB1      HIS   3  10.604  -3.095   2.128
   25    HD2  HIS   3           HD2      HIS   3  14.326  -3.664   1.245
   26    HE1  HIS   3           HE1      HIS   3  12.347  -7.347   0.655
   27    HE2  HIS   3           HE2      HIS   3  14.618  -6.219   0.791
   28    H    HIS   4           HN       HIS   4  11.565   0.088   0.346
   29    HA   HIS   4           HA       HIS   4   9.237   1.122   1.623
   30    HB2  HIS   4           HB2      HIS   4  11.529   2.451   0.168
   31    HB3  HIS   4           HB1      HIS   4  10.235   3.355   0.955
   32    HD2  HIS   4           HD2      HIS   4  10.179   3.078   3.833
   33    HE1  HIS   4           HE1      HIS   4  13.997   1.290   4.092
   34    HE2  HIS   4           HE2      HIS   4  12.114   2.349   5.429
   35    H    ILE   5           HN       ILE   5  10.354   1.026  -1.729
   36    HA   ILE   5           HA       ILE   5   8.297   2.625  -2.838
   37    HB   ILE   5           HB       ILE   5  10.019   0.461  -4.065
   38   HG12  ILE   5          HG12      ILE   5  10.116   3.473  -4.390
   39   HG13  ILE   5          HG11      ILE   5  11.067   2.611  -3.180
   40   HG21  ILE   5          HG21      ILE   5   7.995   2.347  -5.287
   41   HG22  ILE   5          HG22      ILE   5   8.100   0.598  -5.476
   42   HG23  ILE   5          HG23      ILE   5   9.305   1.640  -6.232
   43   HD11  ILE   5          HD11      ILE   5  12.247   3.073  -5.398
   44   HD12  ILE   5          HD12      ILE   5  11.147   1.897  -6.118
   45   HD13  ILE   5          HD13      ILE   5  12.267   1.396  -4.851
   46    H    PHE   6           HN       PHE   6   8.563  -0.895  -2.360
   47    HA   PHE   6           HA       PHE   6   6.111  -1.562  -3.629
   48    HB2  PHE   6           HB2      PHE   6   7.788  -2.999  -1.567
   49    HB3  PHE   6           HB1      PHE   6   6.317  -3.686  -2.255
   50    HD1  PHE   6           HD2      PHE   6   6.146  -3.689  -4.865
   51    HD2  PHE   6           HD1      PHE   6   9.833  -3.302  -2.698
   52    HE1  PHE   6           HE2      PHE   6   7.405  -4.400  -6.879
   53    HE2  PHE   6           HE1      PHE   6  11.093  -4.011  -4.712
   54    HZ   PHE   6           HZ       PHE   6   9.879  -4.561  -6.802
   55    H    ARG   7           HN       ARG   7   6.978  -0.682  -0.346
   56    HA   ARG   7           HA       ARG   7   4.453  -1.288   0.836
   57    HB2  ARG   7           HB2      ARG   7   6.759   0.456   1.709
   58    HB3  ARG   7           HB1      ARG   7   5.320   0.214   2.696
   59    HG2  ARG   7           HG2      ARG   7   6.777  -2.195   1.617
   60    HG3  ARG   7           HG1      ARG   7   7.433  -1.353   3.019
   61    HD2  ARG   7           HD2      ARG   7   5.384  -1.694   4.264
   62    HD3  ARG   7           HD1      ARG   7   4.575  -2.360   2.852
   63    HE   ARG   7           HE       ARG   7   5.629  -4.383   3.267
   64   HH11  ARG   7          HH21      ARG   7   7.168  -1.806   4.989
   65   HH12  ARG   7          HH22      ARG   7   8.195  -2.853   5.912
   66   HH21  ARG   7          HH11      ARG   7   6.968  -5.760   4.476
   67   HH22  ARG   7          HH12      ARG   7   8.082  -5.090   5.621
   68    H    GLY   8           HN       GLY   8   5.828   1.661  -0.574
   69    HA2  GLY   8           HA2      GLY   8   3.805   3.451   0.265
   70    HA3  GLY   8           HA1      GLY   8   4.889   3.688  -1.099
   71    H    ILE   9           HN       ILE   9   4.142   1.454  -2.618
   72    HA   ILE   9           HA       ILE   9   1.764   2.487  -3.891
   73    HB   ILE   9           HB       ILE   9   2.029   0.586  -5.467
   74   HG12  ILE   9          HG12      ILE   9   4.355  -0.075  -3.654
   75   HG13  ILE   9          HG11      ILE   9   2.927  -1.068  -3.908
   76   HG21  ILE   9          HG21      ILE   9   4.039   1.426  -6.479
   77   HG22  ILE   9          HG22      ILE   9   4.663   1.979  -4.925
   78   HG23  ILE   9          HG23      ILE   9   3.278   2.789  -5.658
   79   HD11  ILE   9          HD11      ILE   9   5.173  -0.483  -5.825
   80   HD12  ILE   9          HD12      ILE   9   3.592  -0.988  -6.425
   81   HD13  ILE   9          HD13      ILE   9   4.505  -2.045  -5.351
   82    H    VAL  10           HN       VAL  10   2.546  -0.353  -1.949
   83    HA   VAL  10           HA       VAL  10   0.056  -1.664  -2.142
   84    HB   VAL  10           HB       VAL  10   2.246  -1.705  -0.058
   85   HG11  VAL  10          HG11      VAL  10   0.323  -2.241   1.237
   86   HG12  VAL  10          HG12      VAL  10   0.999  -3.801   0.770
   87   HG13  VAL  10          HG13      VAL  10  -0.408  -3.159  -0.078
   88   HG21  VAL  10          HG21      VAL  10   2.470  -2.753  -2.400
   89   HG22  VAL  10          HG22      VAL  10   1.258  -3.915  -1.873
   90   HG23  VAL  10          HG23      VAL  10   2.802  -3.807  -1.028
   91    H    HIS  11           HN       HIS  11   1.248   0.788   0.134
   92    HA   HIS  11           HA       HIS  11  -0.919   0.788   1.914
   93    HB2  HIS  11           HB2      HIS  11   1.183   2.013   2.330
   94    HB3  HIS  11           HB1      HIS  11   0.771   3.147   1.045
   95    HD2  HIS  11           HD2      HIS  11  -0.875   5.233   1.868
   96    HE1  HIS  11           HE1      HIS  11  -1.976   3.637   5.618
   97    HE2  HIS  11           HE2      HIS  11  -2.147   5.669   4.106
   98    H    VAL  12           HN       VAL  12  -0.408   2.683  -1.052
   99    HA   VAL  12           HA       VAL  12  -2.672   4.269  -1.030
  100    HB   VAL  12           HB       VAL  12  -1.326   2.914  -3.380
  101   HG11  VAL  12          HG11      VAL  12  -2.460   4.858  -4.641
  102   HG12  VAL  12          HG12      VAL  12  -3.524   4.986  -3.240
  103   HG13  VAL  12          HG13      VAL  12  -3.485   3.498  -4.185
  104   HG21  VAL  12          HG21      VAL  12   0.023   4.518  -2.005
  105   HG22  VAL  12          HG22      VAL  12  -1.184   5.760  -2.331
  106   HG23  VAL  12          HG23      VAL  12  -0.239   5.079  -3.656
  107    H    GLY  13           HN       GLY  13  -2.405   0.845  -1.616
  108    HA2  GLY  13           HA2      GLY  13  -5.043   0.528  -2.727
  109    HA3  GLY  13           HA1      GLY  13  -3.977  -0.764  -2.184
  110    H    LYS  14           HN       LYS  14  -3.633   0.448   0.484
  111    HA   LYS  14           HA       LYS  14  -5.680  -0.921   1.843
  112    HB2  LYS  14           HB2      LYS  14  -3.769   1.212   2.809
  113    HB3  LYS  14           HB1      LYS  14  -4.837   0.296   3.873
  114    HG2  LYS  14           HG2      LYS  14  -3.809  -1.813   3.074
  115    HG3  LYS  14           HG1      LYS  14  -2.719  -0.879   2.047
  116    HD2  LYS  14           HD2      LYS  14  -1.805   0.256   4.037
  117    HD3  LYS  14           HD1      LYS  14  -2.894  -0.672   5.068
  118    HE2  LYS  14           HE2      LYS  14  -1.848  -2.769   4.278
  119    HE3  LYS  14           HE1      LYS  14  -0.745  -1.831   3.273
  120    HZ1  LYS  14           HZ1      LYS  14   0.311  -2.402   5.343
  121    HZ2  LYS  14           HZ2      LYS  14  -0.958  -1.707   6.231
  122    HZ3  LYS  14           HZ3      LYS  14   0.058  -0.726   5.287
  123    H    THR  15           HN       THR  15  -5.287   2.573   1.229
  124    HA   THR  15           HA       THR  15  -7.660   3.285   2.657
  125    HB   THR  15           HB       THR  15  -6.163   5.070   2.437
  126    HG1  THR  15           HG1      THR  15  -7.318   6.554   1.314
  127   HG21  THR  15          HG21      THR  15  -5.255   5.742   0.175
  128   HG22  THR  15          HG22      THR  15  -5.947   4.254  -0.462
  129   HG23  THR  15          HG23      THR  15  -4.681   4.182   0.764
  130    H    ILE  16           HN       ILE  16  -6.923   2.704  -0.759
  131    HA   ILE  16           HA       ILE  16  -9.474   3.413  -1.773
  132    HB   ILE  16           HB       ILE  16  -7.340   1.555  -2.844
  133   HG12  ILE  16          HG12      ILE  16  -8.169   4.317  -3.773
  134   HG13  ILE  16          HG11      ILE  16  -6.890   4.055  -2.587
  135   HG21  ILE  16          HG21      ILE  16  -8.607   1.963  -5.043
  136   HG22  ILE  16          HG22      ILE  16  -9.956   2.495  -4.039
  137   HG23  ILE  16          HG23      ILE  16  -9.353   0.843  -3.902
  138   HD11  ILE  16          HD11      ILE  16  -6.959   2.939  -5.404
  139   HD12  ILE  16          HD12      ILE  16  -5.700   2.606  -4.215
  140   HD13  ILE  16          HD13      ILE  16  -5.921   4.245  -4.831
  141    H    HIS  17           HN       HIS  17  -8.099   0.282  -0.780
  142    HA   HIS  17           HA       HIS  17 -10.430  -1.233  -1.390
  143    HB2  HIS  17           HB2      HIS  17  -8.101  -1.803   0.455
  144    HB3  HIS  17           HB1      HIS  17  -9.368  -2.970   0.077
  145    HD2  HIS  17           HD2      HIS  17  -5.968  -2.508  -1.151
  146    HE1  HIS  17           HE1      HIS  17  -8.113  -3.251  -4.710
  147    HE2  HIS  17           HE2      HIS  17  -5.794  -3.131  -3.680
  148    H    ARG  18           HN       ARG  18  -9.266   0.382   1.515
  149    HA   ARG  18           HA       ARG  18 -11.164  -0.651   3.333
  150    HB2  ARG  18           HB2      ARG  18  -9.149   0.575   4.043
  151    HB3  ARG  18           HB1      ARG  18  -9.816   2.060   3.361
  152    HG2  ARG  18           HG2      ARG  18 -11.681   1.999   4.909
  153    HG3  ARG  18           HG1      ARG  18 -11.182   0.420   5.514
  154    HD2  ARG  18           HD2      ARG  18 -10.456   2.170   7.064
  155    HD3  ARG  18           HD1      ARG  18  -9.056   1.415   6.309
  156    HE   ARG  18           HE       ARG  18  -8.628   3.415   5.173
  157   HH11  ARG  18          HH21      ARG  18 -11.700   3.465   6.764
  158   HH12  ARG  18          HH22      ARG  18 -11.941   5.166   6.541
  159   HH21  ARG  18          HH11      ARG  18  -8.935   5.644   4.879
  160   HH22  ARG  18          HH12      ARG  18 -10.375   6.399   5.476
  161    H    LEU  19           HN       LEU  19 -11.211   2.320   1.370
  162    HA   LEU  19           HA       LEU  19 -13.767   3.185   2.251
  163    HB2  LEU  19           HB2      LEU  19 -12.207   3.805  -0.265
  164    HB3  LEU  19           HB1      LEU  19 -13.703   4.619   0.187
  165    HG   LEU  19           HG       LEU  19 -11.236   4.507   1.949
  166   HD11  LEU  19          HD11      LEU  19 -10.741   5.749  -0.100
  167   HD12  LEU  19          HD12      LEU  19 -10.896   6.869   1.253
  168   HD13  LEU  19          HD13      LEU  19 -12.213   6.699   0.094
  169   HD21  LEU  19          HD21      LEU  19 -12.984   5.015   3.409
  170   HD22  LEU  19          HD22      LEU  19 -13.947   5.808   2.162
  171   HD23  LEU  19          HD23      LEU  19 -12.554   6.631   2.864
  172    H    VAL  20           HN       VAL  20 -12.722   1.311  -0.570
  173    HA   VAL  20           HA       VAL  20 -15.292   1.095  -1.755
  174    HB   VAL  20           HB       VAL  20 -12.808  -0.611  -2.020
  175   HG11  VAL  20          HG11      VAL  20 -13.961  -1.337  -4.181
  176   HG12  VAL  20          HG12      VAL  20 -15.447  -0.676  -3.502
  177   HG13  VAL  20          HG13      VAL  20 -14.626  -2.011  -2.694
  178   HG21  VAL  20          HG21      VAL  20 -12.862   1.866  -2.761
  179   HG22  VAL  20          HG22      VAL  20 -13.989   1.337  -4.009
  180   HG23  VAL  20          HG23      VAL  20 -12.354   0.677  -3.961
  181    H    THR  21           HN       THR  21 -13.446  -1.117   0.346
  182    HA   THR  21           HA       THR  21 -15.538  -3.074   0.454
  183    HB   THR  21           HB       THR  21 -14.139  -4.125   2.184
  184    HG1  THR  21           HG1      THR  21 -13.358  -2.343   3.243
  185   HG21  THR  21          HG21      THR  21 -12.820  -3.096  -0.328
  186   HG22  THR  21          HG22      THR  21 -13.477  -4.702  -0.009
  187   HG23  THR  21          HG23      THR  21 -11.979  -4.191   0.770
  188    H    GLY  22           HN       GLY  22 -17.225  -3.224   1.834
  189    HA2  GLY  22           HA2      GLY  22 -17.219  -2.158   4.474
  190    HA3  GLY  22           HA1      GLY  22 -18.114  -1.104   3.381
  191    HN1  NH2  23           HT1      GLY  22 -19.851  -4.673   2.776
  192    HN2  NH2  23           HT2      GLY  22 -18.361  -4.154   2.063
  Start of MODEL   10
    1    H1   PHE   1           HT1      PHE   1  15.346   0.180   1.250
    2    H2   PHE   1           HT2      PHE   1  16.390  -0.412   0.049
    3    H3   PHE   1           HT3      PHE   1  14.800  -0.995   0.157
    4    HA   PHE   1           HA       PHE   1  14.604   1.763  -0.080
    5    HB2  PHE   1           HB2      PHE   1  16.539   0.482  -2.032
    6    HB3  PHE   1           HB1      PHE   1  15.762   2.044  -2.292
    7    HD1  PHE   1           HD1      PHE   1  16.197   3.936  -0.706
    8    HD2  PHE   1           HD2      PHE   1  18.380   0.241  -0.518
    9    HE1  PHE   1           HE1      PHE   1  17.938   5.034   0.679
   10    HE2  PHE   1           HE2      PHE   1  20.119   1.339   0.865
   11    HZ   PHE   1           HZ       PHE   1  19.899   3.736   1.464
   12    H    PHE   2           HN       PHE   2  14.637  -1.427  -1.564
   13    HA   PHE   2           HA       PHE   2  12.647  -0.860  -3.545
   14    HB2  PHE   2           HB2      PHE   2  13.678  -3.450  -2.371
   15    HB3  PHE   2           HB1      PHE   2  12.491  -3.377  -3.675
   16    HD1  PHE   2           HD2      PHE   2  13.095  -2.533  -5.893
   17    HD2  PHE   2           HD1      PHE   2  15.990  -2.755  -2.727
   18    HE1  PHE   2           HE2      PHE   2  14.920  -2.205  -7.540
   19    HE2  PHE   2           HE1      PHE   2  17.816  -2.428  -4.375
   20    HZ   PHE   2           HZ       PHE   2  17.281  -2.154  -6.782
   21    H    HIS   3           HN       HIS   3  12.569  -2.570  -0.437
   22    HA   HIS   3           HA       HIS   3   9.837  -3.149  -0.351
   23    HB2  HIS   3           HB2      HIS   3  11.805  -2.608   1.875
   24    HB3  HIS   3           HB1      HIS   3  10.154  -3.158   2.155
   25    HD2  HIS   3           HD2      HIS   3   9.654  -5.861   1.422
   26    HE1  HIS   3           HE1      HIS   3  13.649  -6.784   0.413
   27    HE2  HIS   3           HE2      HIS   3  11.339  -7.761   0.811
   28    H    HIS   4           HN       HIS   4  11.565  -0.202   0.447
   29    HA   HIS   4           HA       HIS   4   9.424   1.128   1.775
   30    HB2  HIS   4           HB2      HIS   4  11.777   1.860   1.953
   31    HB3  HIS   4           HB1      HIS   4  11.757   2.310   0.247
   32    HD2  HIS   4           HD2      HIS   4  10.956   4.923  -0.145
   33    HE1  HIS   4           HE1      HIS   4   8.950   5.495   3.525
   34    HE2  HIS   4           HE2      HIS   4   9.675   6.622   1.368
   35    H    ILE   5           HN       ILE   5  10.553   1.085  -1.580
   36    HA   ILE   5           HA       ILE   5   8.701   2.971  -2.596
   37    HB   ILE   5           HB       ILE   5  10.160   0.693  -3.958
   38   HG12  ILE   5          HG12      ILE   5  10.655   3.678  -4.100
   39   HG13  ILE   5          HG11      ILE   5  11.458   2.640  -2.923
   40   HG21  ILE   5          HG21      ILE   5   8.421   2.914  -5.053
   41   HG22  ILE   5          HG22      ILE   5   8.284   1.182  -5.355
   42   HG23  ILE   5          HG23      ILE   5   9.629   2.092  -6.040
   43   HD11  ILE   5          HD11      ILE   5  12.751   3.038  -5.080
   44   HD12  ILE   5          HD12      ILE   5  11.509   2.087  -5.897
   45   HD13  ILE   5          HD13      ILE   5  12.507   1.346  -4.645
   46    H    PHE   6           HN       PHE   6   8.580  -0.576  -2.364
   47    HA   PHE   6           HA       PHE   6   6.041  -0.833  -3.648
   48    HB2  PHE   6           HB2      PHE   6   7.615  -2.683  -1.849
   49    HB3  PHE   6           HB1      PHE   6   6.064  -3.126  -2.561
   50    HD1  PHE   6           HD2      PHE   6   5.877  -2.580  -5.182
   51    HD2  PHE   6           HD1      PHE   6   9.541  -3.261  -3.046
   52    HE1  PHE   6           HE2      PHE   6   7.008  -3.168  -7.308
   53    HE2  PHE   6           HE1      PHE   6  10.673  -3.847  -5.173
   54    HZ   PHE   6           HZ       PHE   6   9.406  -3.802  -7.304
   55    H    ARG   7           HN       ARG   7   7.093  -0.462  -0.319
   56    HA   ARG   7           HA       ARG   7   4.685  -1.067   0.993
   57    HB2  ARG   7           HB2      ARG   7   6.867  -0.727   2.144
   58    HB3  ARG   7           HB1      ARG   7   6.741   1.000   1.813
   59    HG2  ARG   7           HG2      ARG   7   4.612   1.078   3.087
   60    HG3  ARG   7           HG1      ARG   7   4.774  -0.642   3.439
   61    HD2  ARG   7           HD2      ARG   7   6.992  -0.128   4.519
   62    HD3  ARG   7           HD1      ARG   7   6.638   1.584   4.305
   63    HE   ARG   7           HE       ARG   7   5.402  -0.218   6.224
   64   HH11  ARG   7          HH21      ARG   7   5.245   2.766   4.476
   65   HH12  ARG   7          HH22      ARG   7   4.178   3.530   5.607
   66   HH21  ARG   7          HH11      ARG   7   4.006   0.777   7.710
   67   HH22  ARG   7          HH12      ARG   7   3.477   2.405   7.437
   68    H    GLY   8           HN       GLY   8   5.860   2.007  -0.358
   69    HA2  GLY   8           HA2      GLY   8   3.618   3.553   0.508
   70    HA3  GLY   8           HA1      GLY   8   4.794   4.018  -0.716
   71    H    ILE   9           HN       ILE   9   4.423   1.799  -2.444
   72    HA   ILE   9           HA       ILE   9   2.227   2.736  -3.999
   73    HB   ILE   9           HB       ILE   9   3.919   0.237  -4.227
   74   HG12  ILE   9          HG12      ILE   9   3.858   2.749  -5.922
   75   HG13  ILE   9          HG11      ILE   9   4.951   2.540  -4.555
   76   HG21  ILE   9          HG21      ILE   9   1.699   1.323  -5.972
   77   HG22  ILE   9          HG22      ILE   9   1.893  -0.315  -5.347
   78   HG23  ILE   9          HG23      ILE   9   2.962   0.275  -6.619
   79   HD11  ILE   9          HD11      ILE   9   6.084   1.903  -6.636
   80   HD12  ILE   9          HD12      ILE   9   4.798   0.753  -7.000
   81   HD13  ILE   9          HD13      ILE   9   5.856   0.484  -5.614
   82    H    VAL  10           HN       VAL  10   2.698  -0.168  -2.023
   83    HA   VAL  10           HA       VAL  10   0.165  -1.322  -2.528
   84    HB   VAL  10           HB       VAL  10   2.065  -1.662  -0.199
   85   HG11  VAL  10          HG11      VAL  10  -0.481  -3.117  -0.951
   86   HG12  VAL  10          HG12      VAL  10  -0.088  -2.357   0.592
   87   HG13  VAL  10          HG13      VAL  10   0.748  -3.828   0.095
   88   HG21  VAL  10          HG21      VAL  10   1.469  -3.492  -2.538
   89   HG22  VAL  10          HG22      VAL  10   2.780  -3.637  -1.368
   90   HG23  VAL  10          HG23      VAL  10   2.790  -2.326  -2.546
   91    H    HIS  11           HN       HIS  11   1.252   1.055  -0.199
   92    HA   HIS  11           HA       HIS  11  -0.853   0.992   1.636
   93    HB2  HIS  11           HB2      HIS  11   1.187   2.335   1.946
   94    HB3  HIS  11           HB1      HIS  11   0.671   3.415   0.652
   95    HD2  HIS  11           HD2      HIS  11  -0.743   5.563   1.637
   96    HE1  HIS  11           HE1      HIS  11  -2.153   3.788   5.198
   97    HE2  HIS  11           HE2      HIS  11  -2.110   5.928   3.832
   98    H    VAL  12           HN       VAL  12  -0.583   2.895  -1.362
   99    HA   VAL  12           HA       VAL  12  -2.937   4.333  -1.233
  100    HB   VAL  12           HB       VAL  12  -2.698   4.749  -3.513
  101   HG11  VAL  12          HG11      VAL  12  -0.358   4.927  -3.946
  102   HG12  VAL  12          HG12      VAL  12   0.009   3.533  -2.932
  103   HG13  VAL  12          HG13      VAL  12  -0.533   5.040  -2.195
  104   HG21  VAL  12          HG21      VAL  12  -1.517   2.963  -5.018
  105   HG22  VAL  12          HG22      VAL  12  -3.193   2.687  -4.544
  106   HG23  VAL  12          HG23      VAL  12  -1.895   1.848  -3.704
  107    H    GLY  13           HN       GLY  13  -2.497   0.940  -1.889
  108    HA2  GLY  13           HA2      GLY  13  -5.129   0.449  -2.921
  109    HA3  GLY  13           HA1      GLY  13  -3.980  -0.766  -2.376
  110    H    LYS  14           HN       LYS  14  -3.633   0.358   0.259
  111    HA   LYS  14           HA       LYS  14  -5.645  -1.039   1.639
  112    HB2  LYS  14           HB2      LYS  14  -3.233  -0.112   2.366
  113    HB3  LYS  14           HB1      LYS  14  -4.203   1.200   3.022
  114    HG2  LYS  14           HG2      LYS  14  -4.515  -1.746   3.658
  115    HG3  LYS  14           HG1      LYS  14  -3.870  -0.508   4.736
  116    HD2  LYS  14           HD2      LYS  14  -6.143   0.681   4.429
  117    HD3  LYS  14           HD1      LYS  14  -6.698  -0.848   3.746
  118    HE2  LYS  14           HE2      LYS  14  -5.954  -2.007   5.831
  119    HE3  LYS  14           HE1      LYS  14  -5.563  -0.430   6.520
  120    HZ1  LYS  14           HZ1      LYS  14  -7.747  -1.048   7.214
  121    HZ2  LYS  14           HZ2      LYS  14  -8.230  -1.363   5.616
  122    HZ3  LYS  14           HZ3      LYS  14  -7.889   0.227   6.107
  123    H    THR  15           HN       THR  15  -5.229   2.434   1.008
  124    HA   THR  15           HA       THR  15  -7.515   3.302   2.449
  125    HB   THR  15           HB       THR  15  -6.278   4.666   0.052
  126    HG1  THR  15           HG1      THR  15  -4.610   5.009   1.253
  127   HG21  THR  15          HG21      THR  15  -7.808   5.642   2.477
  128   HG22  THR  15          HG22      THR  15  -8.371   5.653   0.806
  129   HG23  THR  15          HG23      THR  15  -7.036   6.697   1.292
  130    H    ILE  16           HN       ILE  16  -6.986   2.487  -0.947
  131    HA   ILE  16           HA       ILE  16  -9.579   3.149  -1.880
  132    HB   ILE  16           HB       ILE  16  -7.552   1.157  -2.926
  133   HG12  ILE  16          HG12      ILE  16  -8.339   3.897  -3.961
  134   HG13  ILE  16          HG11      ILE  16  -6.983   3.632  -2.866
  135   HG21  ILE  16          HG21      ILE  16 -10.173   2.143  -4.081
  136   HG22  ILE  16          HG22      ILE  16  -9.680   0.471  -3.804
  137   HG23  ILE  16          HG23      ILE  16  -8.905   1.421  -5.070
  138   HD11  ILE  16          HD11      ILE  16  -5.888   2.184  -4.473
  139   HD12  ILE  16          HD12      ILE  16  -6.317   3.689  -5.289
  140   HD13  ILE  16          HD13      ILE  16  -7.292   2.241  -5.539
  141    H    HIS  17           HN       HIS  17  -8.189   0.097  -0.714
  142    HA   HIS  17           HA       HIS  17 -10.505  -1.484  -1.087
  143    HB2  HIS  17           HB2      HIS  17  -8.246  -2.428  -0.714
  144    HB3  HIS  17           HB1      HIS  17  -8.296  -1.846   0.950
  145    HD2  HIS  17           HD2      HIS  17  -9.842  -3.414   2.704
  146    HE1  HIS  17           HE1      HIS  17 -11.191  -6.193  -0.174
  147    HE2  HIS  17           HE2      HIS  17 -11.113  -5.660   2.307
  148    H    ARG  18           HN       ARG  18  -9.355   0.463   1.626
  149    HA   ARG  18           HA       ARG  18 -11.292  -0.365   3.517
  150    HB2  ARG  18           HB2      ARG  18  -9.242   0.901   4.106
  151    HB3  ARG  18           HB1      ARG  18  -9.909   2.321   3.303
  152    HG2  ARG  18           HG2      ARG  18 -11.848   2.273   4.858
  153    HG3  ARG  18           HG1      ARG  18 -11.133   0.884   5.676
  154    HD2  ARG  18           HD2      ARG  18  -9.722   3.542   5.362
  155    HD3  ARG  18           HD1      ARG  18 -10.679   3.118   6.776
  156    HE   ARG  18           HE       ARG  18  -8.068   2.030   6.042
  157   HH11  ARG  18          HH21      ARG  18 -10.939   1.804   7.966
  158   HH12  ARG  18          HH22      ARG  18 -10.206   0.824   9.189
  159   HH21  ARG  18          HH11      ARG  18  -7.103   0.741   7.644
  160   HH22  ARG  18          HH12      ARG  18  -8.035   0.222   9.010
  161    H    LEU  19           HN       LEU  19 -11.254   2.348   1.207
  162    HA   LEU  19           HA       LEU  19 -13.782   3.381   1.970
  163    HB2  LEU  19           HB2      LEU  19 -12.202   4.751   0.733
  164    HB3  LEU  19           HB1      LEU  19 -12.251   3.641  -0.633
  165    HG   LEU  19           HG       LEU  19 -14.628   4.160  -0.997
  166   HD11  LEU  19          HD11      LEU  19 -15.543   4.623   1.121
  167   HD12  LEU  19          HD12      LEU  19 -15.496   6.211   0.364
  168   HD13  LEU  19          HD13      LEU  19 -14.256   5.758   1.535
  169   HD21  LEU  19          HD21      LEU  19 -13.021   5.570  -2.141
  170   HD22  LEU  19          HD22      LEU  19 -12.834   6.588  -0.713
  171   HD23  LEU  19          HD23      LEU  19 -14.361   6.576  -1.597
  172    H    VAL  20           HN       VAL  20 -12.797   1.179  -0.639
  173    HA   VAL  20           HA       VAL  20 -15.392   0.857  -1.738
  174    HB   VAL  20           HB       VAL  20 -12.940  -0.908  -1.878
  175   HG11  VAL  20          HG11      VAL  20 -15.598  -1.034  -3.320
  176   HG12  VAL  20          HG12      VAL  20 -14.810  -2.311  -2.393
  177   HG13  VAL  20          HG13      VAL  20 -14.139  -1.804  -3.944
  178   HG21  VAL  20          HG21      VAL  20 -14.128   0.937  -3.965
  179   HG22  VAL  20          HG22      VAL  20 -12.543   0.163  -3.984
  180   HG23  VAL  20          HG23      VAL  20 -12.880   1.458  -2.836
  181    H    THR  21           HN       THR  21 -13.515  -1.149   0.540
  182    HA   THR  21           HA       THR  21 -15.645  -3.041   0.897
  183    HB   THR  21           HB       THR  21 -13.214  -2.597   2.643
  184    HG1  THR  21           HG1      THR  21 -12.659  -2.923   0.457
  185   HG21  THR  21          HG21      THR  21 -13.578  -5.160   2.871
  186   HG22  THR  21          HG22      THR  21 -15.209  -4.833   2.289
  187   HG23  THR  21          HG23      THR  21 -14.636  -4.083   3.780
  188    H    GLY  22           HN       GLY  22 -15.372   0.104   1.861
  189    HA2  GLY  22           HA2      GLY  22 -17.450  -0.152   3.816
  190    HA3  GLY  22           HA1      GLY  22 -15.907   0.275   4.548
  191    HN1  NH2  23           HT1      GLY  22 -18.187   3.100   2.751
  192    HN2  NH2  23           HT2      GLY  22 -18.731   1.492   3.096