*HEADER    ANTIMICROBIAL PROTEIN                   29-MAR-14   2MN8              
*TITLE     NMR STRUCTURE OF A PEPTOID ANALOGUE OF MACULATIN G15 CONTAINING CIS-  
*TITLE    2 NLEU AT POSITION 13                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MACULATIN G15;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: MACULATIN-1.1.1;                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: LITORIA GENIMACULATA;                           
*SOURCE   4 ORGANISM_COMMON: GREEN-EYED TREE FROG;                               
*SOURCE   5 ORGANISM_TAXID: 95132;                                               
*SOURCE   6 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*KEYWDS    PEPTOID, N-SUBSTITUTED GLYCINE, MACULATIN, ANTIMICROBIAL PEPTIDE,     
*KEYWDS   2 ANTIMICROBIAL PROTEIN                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    L.E.UGGERHOEJ, P.GUENTERT, R.WIMMER                                   
*REVDAT   1   23-JUL-14 2MN8    0                                                


 17 ILE  QG2    18 ALA  HA      4.40            #peak 19
 14 VAL  HA     17 ILE  QD1     3.87            #peak 25
 14 VAL  HA     17 ILE  HB      3.96            #peak 33
  2 LEU  HA      5 VAL  HB      3.63            #peak 34
 17 ILE  HA     20 HIS  QB      3.55            #peak 39
 18 ALA  HA     20 HIS  H       3.92            #peak 45
 17 ILE  QG2    20 HIS  H       5.02            #peak 57
 12 HIS  H      13 I4G  QQD     4.30            #peak 61
 20 HIS  QB     21 PHE  H       3.45            #peak 69
 11 ALA  HA     14 VAL  H       4.49            #peak 75
 17 ILE  HB     18 ALA  H       2.92            #peak 96
 17 ILE  HA     20 HIS  HD2     4.44            #peak 162
 10 ALA  QB     11 ALA  H       3.33            #peak 172
 20 HIS  QB     21 PHE  QD      3.92            #peak 181
 19 GLU  HB2    20 HIS  H       3.84            #peak 190
 19 GLU  HB3    20 HIS  H       3.84            #peak 192
  5 VAL  QG2     6 LEU  H       4.27            #peak 203
  5 VAL  QG1     6 LEU  H       4.27            #peak 205
 13 I4G  QQD    14 VAL  H       4.46            #peak 212
 14 VAL  QG1    15 GLY  H       4.15            #peak 214
 14 VAL  QG2    15 GLY  H       4.15            #peak 216
 14 VAL  H      14 VAL  QG2     4.49            #peak 223
 14 VAL  H      14 VAL  QG1     4.49            #peak 230
  5 VAL  HA      5 VAL  QG2     3.07            #peak 243
  5 VAL  H       5 VAL  QG2     3.84            #peak 245
  5 VAL  HA      5 VAL  QG1     3.07            #peak 252
  5 VAL  H       5 VAL  QG1     3.84            #peak 254
  5 VAL  HA      5 VAL  HB      2.94            #peak 257
  5 VAL  H       5 VAL  HB      2.76            #peak 258
  5 VAL  HA      8 LYS  H       3.77            #peak 261
  7 ALA  HA      8 LYS  H       3.51            #peak 270
  7 ALA  H       7 ALA  QB      2.93            #peak 272
 11 ALA  HA      2 HIS  H       3.55            #peak 280
 14 VAL  H      15 GLY  H       2.68            #peak 299
 13 I4G  HA2    14 VAL  H       3.04            #peak 307
 13 I4G  HA3    14 VAL  H       3.04            #peak 308
 12 HIS  HA     13 I4G  HA3     5.50            #peak 311
 12 HIS  HA     13 I4G  HA2     5.50            #peak 323
  9 VAL  QG2    10 ALA  H       3.73            #peak 341
  9 VAL  QG1    10 ALA  H       3.73            #peak 342
  3 PHE  HA      6 LEU  H       3.77            #peak 345
 20 HIS  QB     20 HIS  HD2     3.36            #peak 365
 20 HIS  H      20 HIS  QB      2.57            #peak 366
 19 GLU  H      19 GLU  HG2     4.12            #peak 368
 11 ALA  H      11 ALA  QB      2.59            #peak 375
 11 ALA  QB      2 HIS  H       3.27            #peak 376
  8 LYS  H       8 LYS  HB2     3.18            #peak 383
  4 GLY  H       4 GLY  HA3     2.96            #peak 394
  6 LEU  H       6 LEU  QD1     4.86            #peak 424
 16 ALA  H      16 ALA  QB      2.57            #peak 433
 13 I4G  QQD    13 I4G  HB2     3.17            #peak 435
 13 I4G  QQD    13 I4G  HB3     3.17            #peak 437
 17 ILE  H      17 ILE  HG13    3.55            #peak 440
 17 ILE  HA     17 ILE  HG13    3.52            #peak 442
 18 ALA  H      19 GLU  H       2.95            #peak 450
 18 ALA  HA     21 PHE  QD      4.37            #peak 462
 14 VAL  HA     15 GLY  H       2.98            #peak 466
 14 VAL  HA     17 ILE  H       4.25            #peak 467
  9 VAL  HA      9 VAL  QG1     3.03            #peak 485
 16 ALA  HA     19 GLU  H       3.88            #peak 494
 16 ALA  H      16 ALA  HA      2.80            #peak 497
 19 GLU  H      19 GLU  HB2     3.11            #peak 504
 10 ALA  H      10 ALA  QB      2.47            #peak 523
  3 PHE  H       3 PHE  HB3     3.27            #peak 537
 17 ILE  H      17 ILE  HG12    3.55            #peak 623
 17 ILE  HA     17 ILE  HG12    3.52            #peak 625
 15 GLY  H      15 GLY  HA3     2.77            #peak 687
  8 LYS  H       8 LYS  HA      2.94            #peak 696
  9 VAL  HA     10 ALA  H       3.54            #peak 701
  6 LEU  H       6 LEU  HG      3.81            #peak 720
 20 HIS  HA     20 HIS  QB      2.76            #peak 769
  8 LYS  H       8 LYS  HB3     3.18            #peak 794
  6 LEU  H       6 LEU  QD2     4.86            #peak 835
  6 LEU  H       6 LEU  HB3     3.17            #peak 847
 17 ILE  H      18 ALA  H       2.85            #peak 857
  9 VAL  HA      9 VAL  HB      3.00            #peak 891
  9 VAL  HB     10 ALA  H       3.21            #peak 892
  9 VAL  H       9 VAL  HB      3.27            #peak 894
 17 ILE  H      17 ILE  QG2     3.72            #peak 899
 17 ILE  QG2    18 ALA  H       3.63            #peak 900
 17 ILE  HA     17 ILE  QG2     3.08            #peak 902
  7 ALA  QB      8 LYS  H       3.03            #peak 909
  6 LEU  H       6 LEU  HB2     3.17            #peak 912
  5 VAL  HB      6 LEU  H       3.08            #peak 948
 17 ILE  HA     21 PHE  QD      4.40            #peak 955
 17 ILE  HA     20 HIS  H       3.84            #peak 962
  3 PHE  H       3 PHE  HB2     3.27            #peak 965
  3 PHE  H       3 PHE  QD      3.68            #peak 982
 19 GLU  H      19 GLU  HB3     3.11            #peak 987
 12 HIS  HA      2 HIS  HD2     4.36            #peak 998
 19 GLU  H      19 GLU  HG3     4.12            #peak   24
  8 LYS  H       9 VAL  H       2.98            #peak   63
  9 VAL  H      10 ALA  H       3.15            #peak   68
 19 GLU  H      19 GLU  HA      2.89            #peak  110
 19 GLU  HA     20 HIS  H       3.42            #peak  115
  9 VAL  HA      9 VAL  QG2     3.03            #peak  142
 15 GLY  H      16 ALA  H       3.07            #peak  158
 12 HIS  HB2     2 HIS  HD2     3.66            #peak  164
 12 HIS  H       2 HIS  HB2     3.09            #peak  168
 10 ALA  H      11 ALA  H       3.04            #peak  184
  4 GLY  H       4 GLY  HA2     2.96            #peak  242
  3 PHE  HA      3 PHE  QD      3.28            #peak  250
 15 GLY  H      15 GLY  HA2     2.77            #peak  252
 17 ILE  H      17 ILE  QD1     3.84            #peak  270
 17 ILE  HA     17 ILE  QD1     4.28            #peak  272
 18 ALA  QB     19 GLU  H       3.10            #peak 1315
 18 ALA  H      18 ALA  QB      2.71            #peak 1317
 17 ILE  H      17 ILE  HB      2.71            #peak 1321
 17 ILE  HA     17 ILE  HB      3.00            #peak 1323
 12 HIS  HB3     2 HIS  HD2     3.66            #peak 1326
 12 HIS  H       2 HIS  HB3     3.09            #peak 1330
 14 VAL  HB     15 GLY  H       4.13            #peak 1332
 14 VAL  H      14 VAL  HB      3.09            #peak 1333
  5 VAL  H       6 LEU  H       2.97            #peak 1343
  4 GLY  H       5 VAL  H       2.85            #peak 1344
 20 HIS  H      20 HIS  HD2     4.98            #peak 1354
 21 PHE  HA     21 PHE  QD      3.23            #peak 1360
  3 PHE  H       4 GLY  H       4.04            #peak 1386
 11 ALA  H       2 HIS  H       3.04            #peak 1388
  7 ALA  H       8 LYS  H       3.44            #peak 1389
 17 ILE  QG2    21 PHE  QD      3.48            #peak 1402
  2 LEU  HA      5 VAL  H       3.63            #peak 1403
  2 LEU  HA      5 VAL  QG2     4.26            #peak 1404
  2 LEU  HA      5 VAL  QG1     4.26            #peak 1405
  3 PHE  H       3 PHE  QB      2.60            #peak 537
  4 GLY  H       4 GLY  QA      2.55            #peak  242
  4 GLY  QA      6 LEU  H       5.34            #peak 65
  4 GLY  QA      7 ALA  H       5.34            #peak 67
  5 VAL  H       5 VAL  QQG     3.23            #peak 254
  5 VAL  HA      5 VAL  QQG     2.66            #peak 252
  5 VAL  QQG     6 LEU  H       3.50            #peak 203
  6 LEU  H       6 LEU  QB      2.56            #peak 912
  6 LEU  H       6 LEU  QQD     3.76            #peak 835
  8 LYS  H       8 LYS  QB      2.72            #peak 383
  8 LYS  H       8 LYS  QG      3.33            #peak 940
  8 LYS  QB      9 VAL  H       3.69            #peak 196
  9 VAL  H       9 VAL  QQG     3.31            #peak 487
  9 VAL  HA      9 VAL  QQG     2.63            #peak 485
  9 VAL  QQG    10 ALA  H       3.24            #peak 342
 12 HIS  HA     13 I4G  QA      4.71            #peak 323
 13 I4G  QA     13 I4G  QB      3.07            #peak 315
 13 I4G  QA     14 VAL  H       2.65            #peak 308
 14 VAL  H      14 VAL  QQG     2.97            #peak 230
 15 GLY  H      15 GLY  QA      2.40            #peak  252
 15 GLY  QA     18 ALA  H       4.55            #peak 71
 17 ILE  H      17 ILE  QG1     2.79            #peak 623
 17 ILE  HA     17 ILE  QG1     2.87            #peak 442
 18 ALA  HA     22 NH2  QH      4.93            #peak 167
 19 GLU  H      19 GLU  QB      2.65            #peak 504
 19 GLU  H      19 GLU  QG      3.58            #peak 368
 19 GLU  HA     22 NH2  QH      4.90            #peak  109
 19 GLU  QB     20 HIS  H       3.32            #peak 192
 21 PHE  H      21 PHE  QB      2.71            #peak  196
 21 PHE  H      22 NH2  QH      3.11            #peak 400
 21 PHE  QB     22 NH2  QH      3.80            #peak 179

     2  LEU PHI   -90.0   -30.0
     2  LEU PSI   -71.0   -11.0
     3  PHE PHI   -96.0   -36.0
     3  PHE PSI   -60.0     0.0
     4  GLY PHI   -94.0   -34.0
     4  GLY PSI   -70.0   -10.0
     5  VAL PHI   -100.0   -40.0
     5  VAL PSI   -74.0   -14.0
     6  LEU PHI   -99.0   -39.0
     6  LEU PSI   -60.0     0.0
     7  ALA PHI   -93.0   -33.0
     7  ALA PSI   -67.0    -7.0
     8  LYS PHI   -96.0   -36.0
     8  LYS PSI   -66.0    -6.0
     9  VAL PHI   -99.0   -39.0
     9  VAL PSI   -71.0   -11.0
    10  ALA PHI   -97.0   -37.0
    10  ALA PSI   -66.0    -6.0
    11  ALA PHI   -101.0   -41.0
    11  ALA PSI   -56.0     4.0
    13  I4G OMEGA  -0.1     0.1
    15  GLY PHI   -92.0   -32.0
    15  GLY PSI   -69.0    -9.0
    16  ALA PHI   -94.0   -34.0
    16  ALA PSI   -73.0   -13.0
    17  ILE PHI   -97.0   -37.0
    17  ILE PSI   -68.0    -8.0
    18  ALA PHI   -94.0   -34.0
    18  ALA PSI   -66.0    -6.0
    19  GLU PHI   -95.0   -35.0
    19  GLU PSI   -72.0   -12.0
    20  HIS PHI   -97.0   -37.0
    20  HIS PSI   -63.0    -3.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1   1.811  -0.001   0.854
    2    HA2  GLY   1           HA2      GLY   1   2.332  -1.016  -1.500
    3    HA3  GLY   1           HA3      GLY   1   1.442   0.405  -2.027
    4    H    LEU   2           H        LEU   2   3.164   1.352  -3.087
    5    HA   LEU   2           HA       LEU   2   5.708   1.731  -1.839
    6    HB2  LEU   2           HB2      LEU   2   4.419   2.516  -4.384
    7    HB3  LEU   2           HB3      LEU   2   5.763   3.514  -3.834
    8    HG   LEU   2           HG       LEU   2   6.567   0.797  -3.652
    9   HD11  LEU   2          HD11      LEU   2   6.032  -0.206  -5.607
   10   HD12  LEU   2          HD12      LEU   2   5.934   1.317  -6.491
   11   HD13  LEU   2          HD13      LEU   2   4.597   0.809  -5.460
   12   HD21  LEU   2          HD21      LEU   2   7.325   3.179  -5.309
   13   HD22  LEU   2          HD22      LEU   2   8.123   1.620  -5.519
   14   HD23  LEU   2          HD23      LEU   2   8.191   2.444  -3.960
   15    H    PHE   3           H        PHE   3   2.732   3.503  -1.960
   16    HA   PHE   3           HA       PHE   3   3.672   6.076  -1.351
   17    HB2  PHE   3           HB2      PHE   3   1.199   4.924  -1.790
   18    HB3  PHE   3           HB3      PHE   3   1.115   5.411  -0.100
   19    HD1  PHE   3           HD2      PHE   3   1.853   6.670  -3.507
   20    HD2  PHE   3           HD1      PHE   3   0.731   7.635   0.484
   21    HE1  PHE   3           HE2      PHE   3   1.382   8.983  -4.202
   22    HE2  PHE   3           HE1      PHE   3   0.258   9.949  -0.204
   23    HZ   PHE   3           HZ       PHE   3   0.584  10.626  -2.549
   24    H    GLY   4           H        GLY   4   2.660   3.408   0.763
   25    HA2  GLY   4           HA2      GLY   4   2.939   4.766   3.207
   26    HA3  GLY   4           HA3      GLY   4   3.018   3.023   2.996
   27    H    VAL   5           H        VAL   5   5.316   3.447   1.069
   28    HA   VAL   5           HA       VAL   5   7.396   3.175   3.013
   29    HB   VAL   5           HB       VAL   5   7.726   3.481   0.028
   30   HG11  VAL   5          HG11      VAL   5   9.799   3.703   1.233
   31   HG12  VAL   5          HG12      VAL   5   9.458   2.242   2.163
   32   HG13  VAL   5          HG13      VAL   5   9.767   2.134   0.430
   33   HG21  VAL   5          HG21      VAL   5   6.953   1.109   1.689
   34   HG22  VAL   5          HG22      VAL   5   6.243   1.692   0.183
   35   HG23  VAL   5          HG23      VAL   5   7.823   0.908   0.167
   36    H    LEU   6           H        LEU   6   6.213   5.749   0.984
   37    HA   LEU   6           HA       LEU   6   8.400   7.452   0.916
   38    HB2  LEU   6           HB2      LEU   6   5.731   7.577   0.187
   39    HB3  LEU   6           HB3      LEU   6   5.908   8.871   1.370
   40    HG   LEU   6           HG       LEU   6   7.507   8.560  -1.171
   41   HD11  LEU   6          HD11      LEU   6   6.296  10.777  -1.645
   42   HD12  LEU   6          HD12      LEU   6   5.163  10.257  -0.398
   43   HD13  LEU   6          HD13      LEU   6   5.397   9.272  -1.842
   44   HD21  LEU   6          HD21      LEU   6   7.835  11.123  -0.225
   45   HD22  LEU   6          HD22      LEU   6   9.012   9.816  -0.104
   46   HD23  LEU   6          HD23      LEU   6   7.915  10.142   1.238
   47    H    ALA   7           H        ALA   7   6.068   6.882   3.483
   48    HA   ALA   7           HA       ALA   7   6.983   9.040   5.132
   49    HB1  ALA   7           HB1      ALA   7   5.682   7.460   6.872
   50    HB2  ALA   7           HB2      ALA   7   4.868   8.575   5.772
   51    HB3  ALA   7           HB3      ALA   7   5.002   6.866   5.357
   52    H    LYS   8           H        LYS   8   7.793   5.669   4.734
   53    HA   LYS   8           HA       LYS   8   9.111   5.182   7.146
   54    HB2  LYS   8           HB2      LYS   8   8.786   3.868   4.648
   55    HB3  LYS   8           HB3      LYS   8  10.505   3.870   5.022
   56    HG2  LYS   8           HG2      LYS   8   8.385   2.937   6.941
   57    HG3  LYS   8           HG3      LYS   8   9.245   1.870   5.828
   58    HD2  LYS   8           HD2      LYS   8  11.360   2.447   6.857
   59    HD3  LYS   8           HD3      LYS   8  10.558   3.613   7.912
   60    HE2  LYS   8           HE2      LYS   8  10.129   2.016   9.393
   61    HE3  LYS   8           HE3      LYS   8   9.258   1.088   8.172
   62    HZ1  LYS   8           HZ1      LYS   8  11.438   0.200   7.445
   63    HZ2  LYS   8           HZ2      LYS   8  11.019  -0.248   9.021
   64    HZ3  LYS   8           HZ3      LYS   8  12.164   0.972   8.765
   65    H    VAL   9           H        VAL   9  10.260   6.672   4.158
   66    HA   VAL   9           HA       VAL   9  12.986   6.831   4.861
   67    HB   VAL   9           HB       VAL   9  11.497   8.751   3.070
   68   HG11  VAL   9          HG11      VAL   9  13.773   8.719   1.905
   69   HG12  VAL   9          HG12      VAL   9  13.654   9.591   3.435
   70   HG13  VAL   9          HG13      VAL   9  14.382   7.985   3.388
   71   HG21  VAL   9          HG21      VAL   9  12.235   7.184   1.239
   72   HG22  VAL   9          HG22      VAL   9  12.595   6.006   2.500
   73   HG23  VAL   9          HG23      VAL   9  10.943   6.583   2.278
   74    H    ALA  10           H        ALA  10  10.289   9.085   5.297
   75    HA   ALA  10           HA       ALA  10  11.808  11.208   6.372
   76    HB1  ALA  10           HB1      ALA  10   8.942  10.715   7.093
   77    HB2  ALA  10           HB2      ALA  10   9.781  12.248   6.853
   78    HB3  ALA  10           HB3      ALA  10   9.401  11.225   5.468
   79    H    ALA  11           H        ALA  11  10.416   8.329   7.779
   80    HA   ALA  11           HA       ALA  11  10.678   9.170  10.499
   81    HB1  ALA  11           HB1      ALA  11   9.401   7.391  10.847
   82    HB2  ALA  11           HB2      ALA  11   9.520   6.992   9.133
   83    HB3  ALA  11           HB3      ALA  11  10.685   6.325  10.276
   84    H    HIS  12           H        HIS  12  12.773   7.693   8.163
   85    HA   HIS  12           HA       HIS  12  14.898   7.591  10.192
   86    HB2  HIS  12           HB2      HIS  12  13.995   5.297   9.584
   87    HB3  HIS  12           HB3      HIS  12  14.640   5.567   7.968
   88    HD1  HIS  12           HD1      HIS  12  17.383   6.581   8.399
   89    HD2  HIS  12           HD2      HIS  12  15.725   3.661  10.845
   90    HE1  HIS  12           HE1      HIS  12  19.336   5.386   9.437
   91    HB2  I4G  13           HB2      I4G  13  17.434  10.767   8.161
   92    HB3  I4G  13           HB3      I4G  13  16.899   9.802   6.784
   93    HG   I4G  13           HG       I4G  13  14.735  11.593   7.517
   94   HD13  I4G  13          HD13      I4G  13  17.432  13.002   7.100
   95   HD11  I4G  13          HD11      I4G  13  15.848  13.800   7.080
   96   HD12  I4G  13          HD12      I4G  13  16.450  13.067   8.569
   97   HD23  I4G  13          HD23      I4G  13  15.120  10.601   5.269
   98   HD22  I4G  13          HD22      I4G  13  16.603  11.552   5.090
   99   HD21  I4G  13          HD21      I4G  13  15.030  12.365   5.172
  100    HA2  I4G  13           HA2      I4G  13  15.311  11.286   9.637
  101    HA3  I4G  13           HA3      I4G  13  14.323   9.870  10.043
  102    H    VAL  14           H        VAL  14  14.693  10.289  12.172
  103    HA   VAL  14           HA       VAL  14  17.381   9.518  13.108
  104    HB   VAL  14           HB       VAL  14  15.407  11.032  14.794
  105   HG11  VAL  14          HG11      VAL  14  17.721   9.810  15.456
  106   HG12  VAL  14          HG12      VAL  14  18.315  11.421  15.048
  107   HG13  VAL  14          HG13      VAL  14  17.080  11.224  16.293
  108   HG21  VAL  14          HG21      VAL  14  17.465  12.200  12.923
  109   HG22  VAL  14          HG22      VAL  14  15.714  12.377  12.804
  110   HG23  VAL  14          HG23      VAL  14  16.584  13.106  14.154
  111    H    GLY  15           H        GLY  15  15.046   7.813  12.393
  112    HA2  GLY  15           HA2      GLY  15  13.739   6.842  14.675
  113    HA3  GLY  15           HA3      GLY  15  14.005   5.932  13.195
  114    H    ALA  16           H        ALA  16  16.318   5.096  12.950
  115    HA   ALA  16           HA       ALA  16  16.876   3.393  15.136
  116    HB1  ALA  16           HB1      ALA  16  17.363   2.761  12.831
  117    HB2  ALA  16           HB2      ALA  16  18.587   4.027  12.734
  118    HB3  ALA  16           HB3      ALA  16  18.811   2.667  13.833
  119    H    ILE  17           H        ILE  17  18.538   6.270  13.877
  120    HA   ILE  17           HA       ILE  17  20.745   6.311  15.530
  121    HB   ILE  17           HB       ILE  17  19.146   8.700  14.602
  122   HG12  ILE  17          HG12      ILE  17  21.630   7.553  13.337
  123   HG13  ILE  17          HG13      ILE  17  20.017   7.033  12.862
  124   HG21  ILE  17          HG21      ILE  17  21.700   9.555  14.726
  125   HG22  ILE  17          HG22      ILE  17  20.532   9.756  16.031
  126   HG23  ILE  17          HG23      ILE  17  21.680   8.419  16.075
  127   HD11  ILE  17          HD11      ILE  17  20.537   8.657  11.304
  128   HD12  ILE  17          HD12      ILE  17  19.570   9.541  12.485
  129   HD13  ILE  17          HD13      ILE  17  21.327   9.690  12.495
  130    H    ALA  18           H        ALA  18  17.437   7.227  16.246
  131    HA   ALA  18           HA       ALA  18  17.895   8.589  18.664
  132    HB1  ALA  18           HB1      ALA  18  15.442   7.585  19.070
  133    HB2  ALA  18           HB2      ALA  18  15.762   8.966  18.020
  134    HB3  ALA  18           HB3      ALA  18  15.571   7.357  17.325
  135    H    GLU  19           H        GLU  19  17.337   5.167  17.955
  136    HA   GLU  19           HA       GLU  19  17.100   4.232  20.574
  137    HB2  GLU  19           HB2      GLU  19  17.114   3.095  18.057
  138    HB3  GLU  19           HB3      GLU  19  18.554   2.417  18.804
  139    HG2  GLU  19           HG2      GLU  19  16.429   2.298  20.685
  140    HG3  GLU  19           HG3      GLU  19  15.860   1.645  19.150
  141    H    HIS  20           H        HIS  20  19.850   5.365  18.842
  142    HA   HIS  20           HA       HIS  20  21.776   4.088  20.587
  143    HB2  HIS  20           HB2      HIS  20  21.944   5.923  18.223
  144    HB3  HIS  20           HB3      HIS  20  23.345   5.724  19.272
  145    HD1  HIS  20           HD1      HIS  20  23.827   2.952  19.697
  146    HD2  HIS  20           HD2      HIS  20  22.034   4.195  16.162
  147    HE1  HIS  20           HE1      HIS  20  24.200   1.080  18.060
  148    H    PHE  21           H        PHE  21  20.516   7.350  20.014
  149    HA   PHE  21           HA       PHE  21  21.949   8.302  22.388
  150    HB2  PHE  21           HB2      PHE  21  20.549   9.777  20.153
  151    HB3  PHE  21           HB3      PHE  21  21.211  10.573  21.577
  152    HD1  PHE  21           HD1      PHE  21  22.214   8.269  18.828
  153    HD2  PHE  21           HD2      PHE  21  23.379  11.351  21.524
  154    HE1  PHE  21           HE1      PHE  21  24.411   8.397  17.728
  155    HE2  PHE  21           HE2      PHE  21  25.577  11.484  20.427
  156    HZ   PHE  21           HZ       PHE  21  26.095  10.006  18.526
  157    HN1  NH2  22           HN1      NH2  22  19.670   6.398  22.694
  158    HN2  NH2  22           HN2      NH2  22  18.364   7.269  23.556
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1   2.934  -0.380   2.518
    2    HA2  GLY   1           HA2      GLY   1   5.194  -1.696   2.386
    3    HA3  GLY   1           HA3      GLY   1   4.604  -2.034   0.766
    4    H    LEU   2           H        LEU   2   4.338  -0.275  -0.711
    5    HA   LEU   2           HA       LEU   2   6.455   1.499  -0.810
    6    HB2  LEU   2           HB2      LEU   2   4.474   0.788  -2.507
    7    HB3  LEU   2           HB3      LEU   2   3.966   2.423  -2.087
    8    HG   LEU   2           HG       LEU   2   6.514   2.931  -2.704
    9   HD11  LEU   2          HD11      LEU   2   7.566   1.288  -3.752
   10   HD12  LEU   2          HD12      LEU   2   6.299   1.251  -4.978
   11   HD13  LEU   2          HD13      LEU   2   6.162   0.242  -3.538
   12   HD21  LEU   2          HD21      LEU   2   4.158   2.666  -4.558
   13   HD22  LEU   2          HD22      LEU   2   5.677   3.427  -5.028
   14   HD23  LEU   2          HD23      LEU   2   4.719   4.108  -3.712
   15    H    PHE   3           H        PHE   3   3.343   1.847   0.731
   16    HA   PHE   3           HA       PHE   3   3.380   4.645   1.097
   17    HB2  PHE   3           HB2      PHE   3   1.653   2.522   1.739
   18    HB3  PHE   3           HB3      PHE   3   2.057   3.286   3.273
   19    HD1  PHE   3           HD1      PHE   3   0.545   3.808  -0.036
   20    HD2  PHE   3           HD2      PHE   3   1.262   5.463   3.820
   21    HE1  PHE   3           HE1      PHE   3  -1.090   5.588  -0.499
   22    HE2  PHE   3           HE2      PHE   3  -0.373   7.244   3.363
   23    HZ   PHE   3           HZ       PHE   3  -1.551   7.308   1.202
   24    H    GLY   4           H        GLY   4   4.387   1.975   3.223
   25    HA2  GLY   4           HA2      GLY   4   5.218   3.581   5.382
   26    HA3  GLY   4           HA3      GLY   4   5.757   1.939   5.064
   27    H    VAL   5           H        VAL   5   6.686   2.977   2.332
   28    HA   VAL   5           HA       VAL   5   9.362   3.639   3.217
   29    HB   VAL   5           HB       VAL   5   8.370   3.393   0.378
   30   HG11  VAL   5          HG11      VAL   5  10.734   2.877  -0.096
   31   HG12  VAL   5          HG12      VAL   5  10.517   4.496   0.573
   32   HG13  VAL   5          HG13      VAL   5  11.122   3.191   1.595
   33   HG21  VAL   5          HG21      VAL   5   8.867   1.352   2.421
   34   HG22  VAL   5          HG22      VAL   5   7.947   1.254   0.919
   35   HG23  VAL   5          HG23      VAL   5   9.701   1.073   0.892
   36    H    LEU   6           H        LEU   6   6.622   5.242   1.795
   37    HA   LEU   6           HA       LEU   6   7.941   7.516   0.771
   38    HB2  LEU   6           HB2      LEU   6   5.326   6.567   0.895
   39    HB3  LEU   6           HB3      LEU   6   5.293   8.092   1.779
   40    HG   LEU   6           HG       LEU   6   6.194   7.706  -1.075
   41   HD11  LEU   6          HD11      LEU   6   3.968   7.716  -1.390
   42   HD12  LEU   6          HD12      LEU   6   4.139   9.453  -1.144
   43   HD13  LEU   6          HD13      LEU   6   3.638   8.419   0.193
   44   HD21  LEU   6          HD21      LEU   6   6.148  10.245  -1.031
   45   HD22  LEU   6          HD22      LEU   6   7.499   9.462  -0.209
   46   HD23  LEU   6          HD23      LEU   6   6.151  10.110   0.728
   47    H    ALA   7           H        ALA   7   6.805   6.662   3.966
   48    HA   ALA   7           HA       ALA   7   7.330   9.331   5.002
   49    HB1  ALA   7           HB1      ALA   7   6.526   8.404   7.145
   50    HB2  ALA   7           HB2      ALA   7   5.365   8.202   5.832
   51    HB3  ALA   7           HB3      ALA   7   6.339   6.832   6.367
   52    H    LYS   8           H        LYS   8   8.816   6.196   4.855
   53    HA   LYS   8           HA       LYS   8  10.607   6.360   6.989
   54    HB2  LYS   8           HB2      LYS   8  10.183   4.660   4.752
   55    HB3  LYS   8           HB3      LYS   8  11.888   5.087   4.771
   56    HG2  LYS   8           HG2      LYS   8  11.791   4.445   7.267
   57    HG3  LYS   8           HG3      LYS   8  10.288   3.627   6.832
   58    HD2  LYS   8           HD2      LYS   8  11.522   1.884   6.201
   59    HD3  LYS   8           HD3      LYS   8  12.117   2.873   4.866
   60    HE2  LYS   8           HE2      LYS   8  14.003   3.588   6.147
   61    HE3  LYS   8           HE3      LYS   8  13.356   2.853   7.612
   62    HZ1  LYS   8           HZ1      LYS   8  14.498   1.046   7.087
   63    HZ2  LYS   8           HZ2      LYS   8  14.948   1.680   5.585
   64    HZ3  LYS   8           HZ3      LYS   8  13.495   0.829   5.742
   65    H    VAL   9           H        VAL   9  10.598   7.963   3.918
   66    HA   VAL   9           HA       VAL   9  13.338   8.635   3.762
   67    HB   VAL   9           HB       VAL   9  11.039  10.252   2.662
   68   HG11  VAL   9          HG11      VAL   9  12.696  10.867   0.931
   69   HG12  VAL   9          HG12      VAL   9  13.156  11.405   2.547
   70   HG13  VAL   9          HG13      VAL   9  13.927   9.987   1.836
   71   HG21  VAL   9          HG21      VAL   9  10.642   8.069   1.875
   72   HG22  VAL   9          HG22      VAL   9  11.498   8.885   0.566
   73   HG23  VAL   9          HG23      VAL   9  12.360   7.762   1.618
   74    H    ALA  10           H        ALA  10  10.550  10.282   5.191
   75    HA   ALA  10           HA       ALA  10  12.065  12.583   5.992
   76    HB1  ALA  10           HB1      ALA  10   9.324  11.668   6.857
   77    HB2  ALA  10           HB2      ALA  10  10.031  13.253   7.170
   78    HB3  ALA  10           HB3      ALA  10   9.680  12.756   5.515
   79    H    ALA  11           H        ALA  11  10.949   9.617   7.540
   80    HA   ALA  11           HA       ALA  11  11.771  10.361  10.170
   81    HB1  ALA  11           HB1      ALA  11  10.904   7.800   8.888
   82    HB2  ALA  11           HB2      ALA  11  11.572   7.805  10.520
   83    HB3  ALA  11           HB3      ALA  11  10.119   8.737  10.160
   84    H    HIS  12           H        HIS  12  13.358   8.991   7.417
   85    HA   HIS  12           HA       HIS  12  15.805   8.670   9.025
   86    HB2  HIS  12           HB2      HIS  12  14.884   6.475   8.325
   87    HB3  HIS  12           HB3      HIS  12  15.003   6.985   6.643
   88    HD1  HIS  12           HD1      HIS  12  16.525   4.598   6.952
   89    HD2  HIS  12           HD2      HIS  12  18.143   8.227   8.164
   90    HE1  HIS  12           HE1      HIS  12  19.013   4.236   7.020
   91    HB2  I4G  13           HB2      I4G  13  18.108  12.067   7.097
   92    HB3  I4G  13           HB3      I4G  13  17.257  11.392   5.706
   93    HG   I4G  13           HG       I4G  13  15.430  13.101   7.220
   94   HD13  I4G  13          HD13      I4G  13  18.043  14.445   6.324
   95   HD11  I4G  13          HD11      I4G  13  16.571  15.301   6.820
   96   HD12  I4G  13          HD12      I4G  13  17.463  14.324   7.990
   97   HD23  I4G  13          HD23      I4G  13  15.168  12.451   4.833
   98   HD22  I4G  13          HD22      I4G  13  16.631  13.356   4.413
   99   HD21  I4G  13          HD21      I4G  13  15.196  14.211   5.008
  100    HA2  I4G  13           HA2      I4G  13  16.443  12.364   9.035
  101    HA3  I4G  13           HA3      I4G  13  15.269  11.063   9.305
  102    H    VAL  14           H        VAL  14  16.014  11.134  11.428
  103    HA   VAL  14           HA       VAL  14  18.393   9.442  11.789
  104    HB   VAL  14           HB       VAL  14  17.656  11.554  13.796
  105   HG11  VAL  14          HG11      VAL  14  20.441  10.713  13.413
  106   HG12  VAL  14          HG12      VAL  14  19.509  10.918  14.897
  107   HG13  VAL  14          HG13      VAL  14  19.351   9.437  13.953
  108   HG21  VAL  14          HG21      VAL  14  18.203  13.090  12.251
  109   HG22  VAL  14          HG22      VAL  14  19.859  12.573  12.568
  110   HG23  VAL  14          HG23      VAL  14  18.974  11.903  11.198
  111    H    GLY  15           H        GLY  15  15.458   8.917  11.690
  112    HA2  GLY  15           HA2      GLY  15  14.385   8.467  14.232
  113    HA3  GLY  15           HA3      GLY  15  13.945   7.581  12.780
  114    H    ALA  16           H        ALA  16  16.253   6.255  12.165
  115    HA   ALA  16           HA       ALA  16  16.154   3.984  13.727
  116    HB1  ALA  16           HB1      ALA  16  18.395   3.435  12.716
  117    HB2  ALA  16           HB2      ALA  16  17.120   3.845  11.568
  118    HB3  ALA  16           HB3      ALA  16  18.359   5.033  11.970
  119    H    ILE  17           H        ILE  17  19.020   6.102  13.671
  120    HA   ILE  17           HA       ILE  17  20.213   5.146  15.966
  121    HB   ILE  17           HB       ILE  17  20.306   7.986  14.940
  122   HG12  ILE  17          HG12      ILE  17  22.221   5.708  14.410
  123   HG13  ILE  17          HG13      ILE  17  20.934   6.177  13.305
  124   HG21  ILE  17          HG21      ILE  17  21.588   6.651  17.187
  125   HG22  ILE  17          HG22      ILE  17  22.737   7.410  16.086
  126   HG23  ILE  17          HG23      ILE  17  21.451   8.370  16.818
  127   HD11  ILE  17          HD11      ILE  17  22.763   7.259  12.428
  128   HD12  ILE  17          HD12      ILE  17  22.039   8.518  13.429
  129   HD13  ILE  17          HD13      ILE  17  23.441   7.623  14.014
  130    H    ALA  18           H        ALA  18  17.662   7.533  15.636
  131    HA   ALA  18           HA       ALA  18  17.711   8.574  18.243
  132    HB1  ALA  18           HB1      ALA  18  15.379   8.278  16.353
  133    HB2  ALA  18           HB2      ALA  18  15.402   9.287  17.800
  134    HB3  ALA  18           HB3      ALA  18  16.479   9.653  16.453
  135    H    GLU  19           H        GLU  19  15.731   5.952  16.861
  136    HA   GLU  19           HA       GLU  19  14.362   5.273  19.198
  137    HB2  GLU  19           HB2      GLU  19  14.404   4.364  16.590
  138    HB3  GLU  19           HB3      GLU  19  15.000   2.982  17.498
  139    HG2  GLU  19           HG2      GLU  19  12.798   3.932  18.934
  140    HG3  GLU  19           HG3      GLU  19  12.323   3.980  17.238
  141    H    HIS  20           H        HIS  20  17.622   4.692  18.262
  142    HA   HIS  20           HA       HIS  20  18.017   2.543  20.173
  143    HB2  HIS  20           HB2      HIS  20  19.785   3.939  18.183
  144    HB3  HIS  20           HB3      HIS  20  20.475   2.898  19.424
  145    HD1  HIS  20           HD1      HIS  20  18.336   0.644  19.351
  146    HD2  HIS  20           HD2      HIS  20  20.125   2.329  16.001
  147    HE1  HIS  20           HE1      HIS  20  18.127  -1.084  17.537
  148    H    PHE  21           H        PHE  21  18.992   5.925  19.757
  149    HA   PHE  21           HA       PHE  21  20.590   6.124  22.055
  150    HB2  PHE  21           HB2      PHE  21  19.315   7.990  20.168
  151    HB3  PHE  21           HB3      PHE  21  19.584   8.650  21.778
  152    HD1  PHE  21           HD1      PHE  21  21.413   6.645  19.215
  153    HD2  PHE  21           HD2      PHE  21  21.574   9.719  22.155
  154    HE1  PHE  21           HE1      PHE  21  23.769   7.065  18.642
  155    HE2  PHE  21           HE2      PHE  21  23.930  10.144  21.586
  156    HZ   PHE  21           HZ       PHE  21  25.030   8.818  19.827
  157    HN1  NH2  22           HN1      NH2  22  17.004   6.794  21.463
  158    HN2  NH2  22           HN2      NH2  22  16.520   6.854  23.186
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1   2.821  -0.818  -0.581
    2    HA2  GLY   1           HA2      GLY   1   1.519   0.142  -2.751
    3    HA3  GLY   1           HA3      GLY   1   0.896   1.152  -1.455
    4    H    LEU   2           H        LEU   2   2.292   2.228  -3.588
    5    HA   LEU   2           HA       LEU   2   5.056   2.585  -2.967
    6    HB2  LEU   2           HB2      LEU   2   4.300   2.805  -5.239
    7    HB3  LEU   2           HB3      LEU   2   3.188   4.094  -4.786
    8    HG   LEU   2           HG       LEU   2   5.304   5.397  -4.111
    9   HD11  LEU   2          HD11      LEU   2   7.320   4.774  -5.342
   10   HD12  LEU   2          HD12      LEU   2   6.523   3.309  -5.913
   11   HD13  LEU   2          HD13      LEU   2   6.854   3.519  -4.194
   12   HD21  LEU   2          HD21      LEU   2   5.245   6.464  -6.127
   13   HD22  LEU   2          HD22      LEU   2   3.760   5.520  -6.252
   14   HD23  LEU   2          HD23      LEU   2   5.231   4.961  -7.050
   15    H    PHE   3           H        PHE   3   2.097   4.249  -2.158
   16    HA   PHE   3           HA       PHE   3   3.107   6.714  -1.341
   17    HB2  PHE   3           HB2      PHE   3   0.630   5.397  -1.254
   18    HB3  PHE   3           HB3      PHE   3   0.990   5.825   0.415
   19    HD1  PHE   3           HD1      PHE   3   1.038   7.331  -2.995
   20    HD2  PHE   3           HD2      PHE   3   0.370   7.904   1.170
   21    HE1  PHE   3           HE1      PHE   3   0.302   9.638  -3.434
   22    HE2  PHE   3           HE2      PHE   3  -0.368  10.211   0.738
   23    HZ   PHE   3           HZ       PHE   3  -0.403  11.080  -1.566
   24    H    GLY   4           H        GLY   4   2.613   3.747   0.565
   25    HA2  GLY   4           HA2      GLY   4   3.498   4.712   3.027
   26    HA3  GLY   4           HA3      GLY   4   3.577   3.031   2.520
   27    H    VAL   5           H        VAL   5   5.318   3.816   0.207
   28    HA   VAL   5           HA       VAL   5   7.811   3.348   1.453
   29    HB   VAL   5           HB       VAL   5   7.387   4.419  -1.337
   30   HG11  VAL   5          HG11      VAL   5   9.482   3.203  -1.806
   31   HG12  VAL   5          HG12      VAL   5   9.694   4.481  -0.607
   32   HG13  VAL   5          HG13      VAL   5   9.605   2.795  -0.095
   33   HG21  VAL   5          HG21      VAL   5   7.224   1.599  -0.294
   34   HG22  VAL   5          HG22      VAL   5   5.978   2.508  -1.148
   35   HG23  VAL   5          HG23      VAL   5   7.435   1.996  -1.999
   36    H    LEU   6           H        LEU   6   6.176   6.258   0.389
   37    HA   LEU   6           HA       LEU   6   8.399   8.001   0.503
   38    HB2  LEU   6           HB2      LEU   6   5.690   8.183  -0.157
   39    HB3  LEU   6           HB3      LEU   6   5.916   9.301   1.187
   40    HG   LEU   6           HG       LEU   6   7.570   9.353  -1.333
   41   HD11  LEU   6          HD11      LEU   6   5.324  11.226  -0.648
   42   HD12  LEU   6          HD12      LEU   6   5.092   9.793  -1.649
   43   HD13  LEU   6          HD13      LEU   6   6.196  11.065  -2.173
   44   HD21  LEU   6          HD21      LEU   6   7.419  10.992   1.148
   45   HD22  LEU   6          HD22      LEU   6   7.787  11.796  -0.379
   46   HD23  LEU   6          HD23      LEU   6   8.824  10.494   0.205
   47    H    ALA   7           H        ALA   7   6.047   6.943   2.897
   48    HA   ALA   7           HA       ALA   7   7.055   8.743   4.922
   49    HB1  ALA   7           HB1      ALA   7   4.857   6.765   4.732
   50    HB2  ALA   7           HB2      ALA   7   5.499   7.114   6.337
   51    HB3  ALA   7           HB3      ALA   7   4.847   8.418   5.346
   52    H    LYS   8           H        LYS   8   7.626   5.498   3.860
   53    HA   LYS   8           HA       LYS   8   8.675   4.345   6.173
   54    HB2  LYS   8           HB2      LYS   8   8.512   3.694   3.412
   55    HB3  LYS   8           HB3      LYS   8  10.183   3.464   3.908
   56    HG2  LYS   8           HG2      LYS   8   7.836   2.280   5.370
   57    HG3  LYS   8           HG3      LYS   8   8.731   1.442   4.100
   58    HD2  LYS   8           HD2      LYS   8  10.620   2.478   5.941
   59    HD3  LYS   8           HD3      LYS   8   9.354   1.672   6.871
   60    HE2  LYS   8           HE2      LYS   8   9.638  -0.343   5.530
   61    HE3  LYS   8           HE3      LYS   8  10.869   0.463   4.559
   62    HZ1  LYS   8           HZ1      LYS   8  11.105  -0.791   7.122
   63    HZ2  LYS   8           HZ2      LYS   8  11.744   0.775   7.116
   64    HZ3  LYS   8           HZ3      LYS   8  12.312  -0.373   6.011
   65    H    VAL   9           H        VAL   9  10.016   6.703   4.010
   66    HA   VAL   9           HA       VAL   9  12.746   6.397   4.576
   67    HB   VAL   9           HB       VAL   9  11.354   9.011   3.987
   68   HG11  VAL   9          HG11      VAL   9  13.578   9.435   2.822
   69   HG12  VAL   9          HG12      VAL   9  13.587   9.443   4.587
   70   HG13  VAL   9          HG13      VAL   9  14.182   8.035   3.707
   71   HG21  VAL   9          HG21      VAL   9  12.130   6.744   2.183
   72   HG22  VAL   9          HG22      VAL   9  10.603   7.622   2.266
   73   HG23  VAL   9          HG23      VAL   9  12.030   8.400   1.584
   74    H    ALA  10           H        ALA  10  10.231   8.297   6.188
   75    HA   ALA  10           HA       ALA  10  11.914   9.612   8.026
   76    HB1  ALA  10           HB1      ALA  10   9.109   8.919   8.758
   77    HB2  ALA  10           HB2      ALA  10   9.999  10.424   8.996
   78    HB3  ALA  10           HB3      ALA  10   9.401   9.998   7.393
   79    H    ALA  11           H        ALA  11  10.608   6.403   7.939
   80    HA   ALA  11           HA       ALA  11  11.134   5.891  10.744
   81    HB1  ALA  11           HB1      ALA  11   9.789   4.123  10.507
   82    HB2  ALA  11           HB2      ALA  11   9.384   4.808   8.933
   83    HB3  ALA  11           HB3      ALA  11  10.628   3.564   9.059
   84    H    HIS  12           H        HIS  12  12.725   5.521   7.691
   85    HA   HIS  12           HA       HIS  12  14.967   4.191   9.059
   86    HB2  HIS  12           HB2      HIS  12  13.545   2.810   7.333
   87    HB3  HIS  12           HB3      HIS  12  14.469   3.722   6.143
   88    HD1  HIS  12           HD1      HIS  12  15.271   1.665   9.252
   89    HD2  HIS  12           HD2      HIS  12  16.719   2.423   5.432
   90    HE1  HIS  12           HE1      HIS  12  17.293   0.192   8.995
   91    HB2  I4G  13           HB2      I4G  13  16.260   8.892   8.617
   92    HB3  I4G  13           HB3      I4G  13  17.513   7.746   8.137
   93    HG   I4G  13           HG       I4G  13  15.517   7.673   6.068
   94   HD13  I4G  13          HD13      I4G  13  16.320  10.543   6.811
   95   HD11  I4G  13          HD11      I4G  13  15.513  10.065   5.306
   96   HD12  I4G  13          HD12      I4G  13  14.679   9.887   6.853
   97   HD23  I4G  13          HD23      I4G  13  17.956   7.265   5.790
   98   HD22  I4G  13          HD22      I4G  13  18.292   8.972   6.122
   99   HD21  I4G  13          HD21      I4G  13  17.393   8.509   4.666
  100    HA2  I4G  13           HA2      I4G  13  14.207   7.641   9.780
  101    HA3  I4G  13           HA3      I4G  13  14.819   6.021  10.164
  102    H    VAL  14           H        VAL  14  14.526   8.631  11.585
  103    HA   VAL  14           HA       VAL  14  17.305   8.849  12.545
  104    HB   VAL  14           HB       VAL  14  15.162  10.877  13.120
  105   HG11  VAL  14          HG11      VAL  14  17.654  10.579  14.138
  106   HG12  VAL  14          HG12      VAL  14  17.976  11.652  12.775
  107   HG13  VAL  14          HG13      VAL  14  16.810  12.122  14.012
  108   HG21  VAL  14          HG21      VAL  14  16.552  10.375  10.586
  109   HG22  VAL  14          HG22      VAL  14  15.070  11.274  10.909
  110   HG23  VAL  14          HG23      VAL  14  16.638  12.042  11.156
  111    H    GLY  15           H        GLY  15  15.189   6.866  13.289
  112    HA2  GLY  15           HA2      GLY  15  14.312   7.537  15.933
  113    HA3  GLY  15           HA3      GLY  15  14.219   5.954  15.174
  114    H    ALA  16           H        ALA  16  16.644   5.099  14.768
  115    HA   ALA  16           HA       ALA  16  17.617   4.278  17.214
  116    HB1  ALA  16           HB1      ALA  16  18.137   3.277  14.980
  117    HB2  ALA  16           HB2      ALA  16  19.308   4.574  14.740
  118    HB3  ALA  16           HB3      ALA  16  19.521   3.427  16.063
  119    H    ILE  17           H        ILE  17  18.370   7.178  15.408
  120    HA   ILE  17           HA       ILE  17  20.731   7.994  16.572
  121    HB   ILE  17           HB       ILE  17  18.375   9.712  15.787
  122   HG12  ILE  17          HG12      ILE  17  19.245   8.371  13.942
  123   HG13  ILE  17          HG13      ILE  17  19.665  10.064  13.710
  124   HG21  ILE  17          HG21      ILE  17  20.375  11.388  15.477
  125   HG22  ILE  17          HG22      ILE  17  19.590  11.193  17.043
  126   HG23  ILE  17          HG23      ILE  17  21.122  10.382  16.718
  127   HD11  ILE  17          HD11      ILE  17  21.790   8.887  15.128
  128   HD12  ILE  17          HD12      ILE  17  21.369   7.789  13.814
  129   HD13  ILE  17          HD13      ILE  17  21.775   9.469  13.463
  130    H    ALA  18           H        ALA  18  17.456   8.204  17.850
  131    HA   ALA  18           HA       ALA  18  18.161   9.782  20.126
  132    HB1  ALA  18           HB1      ALA  18  15.813   9.179  18.926
  133    HB2  ALA  18           HB2      ALA  18  15.758   8.098  20.319
  134    HB3  ALA  18           HB3      ALA  18  15.954   9.835  20.557
  135    H    GLU  19           H        GLU  19  17.482   6.324  19.637
  136    HA   GLU  19           HA       GLU  19  17.813   5.500  22.284
  137    HB2  GLU  19           HB2      GLU  19  17.243   4.265  19.880
  138    HB3  GLU  19           HB3      GLU  19  18.799   3.574  20.319
  139    HG2  GLU  19           HG2      GLU  19  17.270   3.531  22.658
  140    HG3  GLU  19           HG3      GLU  19  16.190   3.010  21.367
  141    H    HIS  20           H        HIS  20  20.130   6.485  19.939
  142    HA   HIS  20           HA       HIS  20  22.367   5.232  21.300
  143    HB2  HIS  20           HB2      HIS  20  21.909   6.512  18.721
  144    HB3  HIS  20           HB3      HIS  20  23.411   7.042  19.471
  145    HD1  HIS  20           HD1      HIS  20  25.218   5.188  19.923
  146    HD2  HIS  20           HD2      HIS  20  21.920   3.931  17.731
  147    HE1  HIS  20           HE1      HIS  20  25.887   2.989  18.903
  148    H    PHE  21           H        PHE  21  20.927   8.421  20.938
  149    HA   PHE  21           HA       PHE  21  22.903   9.490  22.840
  150    HB2  PHE  21           HB2      PHE  21  21.187  10.880  20.778
  151    HB3  PHE  21           HB3      PHE  21  22.113  11.740  22.005
  152    HD1  PHE  21           HD1      PHE  21  24.663  10.657  22.127
  153    HD2  PHE  21           HD2      PHE  21  22.146  10.957  18.708
  154    HE1  PHE  21           HE1      PHE  21  26.644  10.605  20.669
  155    HE2  PHE  21           HE2      PHE  21  24.123  10.905  17.244
  156    HZ   PHE  21           HZ       PHE  21  26.376  10.729  18.224
  157    HN1  NH2  22           HN1      NH2  22  20.801   7.759  23.857
  158    HN2  NH2  22           HN2      NH2  22  19.656   8.749  24.813
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1   1.157   9.031  -1.540
    2    HA2  GLY   1           HA2      GLY   1   1.635   6.359  -2.248
    3    HA3  GLY   1           HA3      GLY   1   2.144   7.762  -3.176
    4    H    LEU   2           H        LEU   2   4.257   8.016  -3.442
    5    HA   LEU   2           HA       LEU   2   6.164   6.247  -2.479
    6    HB2  LEU   2           HB2      LEU   2   6.265   8.948  -3.725
    7    HB3  LEU   2           HB3      LEU   2   7.743   8.292  -3.023
    8    HG   LEU   2           HG       LEU   2   7.563   7.926  -5.461
    9   HD11  LEU   2          HD11      LEU   2   8.283   5.652  -5.433
   10   HD12  LEU   2          HD12      LEU   2   7.436   5.343  -3.918
   11   HD13  LEU   2          HD13      LEU   2   8.839   6.411  -3.941
   12   HD21  LEU   2          HD21      LEU   2   5.265   6.110  -4.739
   13   HD22  LEU   2          HD22      LEU   2   5.961   6.342  -6.343
   14   HD23  LEU   2          HD23      LEU   2   5.112   7.669  -5.549
   15    H    PHE   3           H        PHE   3   5.299   9.472  -1.277
   16    HA   PHE   3           HA       PHE   3   7.226   9.719   0.709
   17    HB2  PHE   3           HB2      PHE   3   5.108  11.233  -0.146
   18    HB3  PHE   3           HB3      PHE   3   4.577  10.744   1.459
   19    HD1  PHE   3           HD1      PHE   3   7.835  11.794  -0.035
   20    HD2  PHE   3           HD2      PHE   3   4.938  12.365   3.031
   21    HE1  PHE   3           HE1      PHE   3   9.239  13.553   0.960
   22    HE2  PHE   3           HE2      PHE   3   6.336  14.125   4.029
   23    HZ   PHE   3           HZ       PHE   3   8.489  14.722   2.994
   24    H    GLY   4           H        GLY   4   4.133   8.031   0.748
   25    HA2  GLY   4           HA2      GLY   4   4.170   7.452   3.544
   26    HA3  GLY   4           HA3      GLY   4   3.145   6.688   2.338
   27    H    VAL   5           H        VAL   5   5.665   6.007   0.786
   28    HA   VAL   5           HA       VAL   5   6.079   3.442   2.052
   29    HB   VAL   5           HB       VAL   5   7.411   4.498  -0.442
   30   HG11  VAL   5          HG11      VAL   5   7.641   2.114  -0.994
   31   HG12  VAL   5          HG12      VAL   5   8.475   2.530   0.505
   32   HG13  VAL   5          HG13      VAL   5   6.922   1.695   0.561
   33   HG21  VAL   5          HG21      VAL   5   4.658   3.600   0.037
   34   HG22  VAL   5          HG22      VAL   5   5.322   4.579  -1.271
   35   HG23  VAL   5          HG23      VAL   5   5.462   2.822  -1.326
   36    H    LEU   6           H        LEU   6   8.097   6.224   1.144
   37    HA   LEU   6           HA       LEU   6  10.518   5.195   2.152
   38    HB2  LEU   6           HB2      LEU   6   9.672   7.507   0.836
   39    HB3  LEU   6           HB3      LEU   6  10.356   8.070   2.359
   40    HG   LEU   6           HG       LEU   6  11.847   6.241   0.491
   41   HD11  LEU   6          HD11      LEU   6  12.833   8.912   0.423
   42   HD12  LEU   6          HD12      LEU   6  11.121   8.925   0.000
   43   HD13  LEU   6          HD13      LEU   6  12.245   7.912  -0.906
   44   HD21  LEU   6          HD21      LEU   6  12.660   8.022   2.782
   45   HD22  LEU   6          HD22      LEU   6  13.794   7.210   1.702
   46   HD23  LEU   6          HD23      LEU   6  12.714   6.260   2.725
   47    H    ALA   7           H        ALA   7   7.865   6.902   3.657
   48    HA   ALA   7           HA       ALA   7   9.134   7.698   6.032
   49    HB1  ALA   7           HB1      ALA   7   7.068   8.687   5.672
   50    HB2  ALA   7           HB2      ALA   7   6.285   7.152   5.293
   51    HB3  ALA   7           HB3      ALA   7   6.727   7.529   6.959
   52    H    LYS   8           H        LYS   8   7.709   4.646   5.046
   53    HA   LYS   8           HA       LYS   8   7.532   3.382   7.527
   54    HB2  LYS   8           HB2      LYS   8   7.283   2.647   4.793
   55    HB3  LYS   8           HB3      LYS   8   8.361   1.485   5.554
   56    HG2  LYS   8           HG2      LYS   8   6.552   1.339   7.384
   57    HG3  LYS   8           HG3      LYS   8   5.502   2.094   6.182
   58    HD2  LYS   8           HD2      LYS   8   7.128  -0.287   5.410
   59    HD3  LYS   8           HD3      LYS   8   5.663  -0.518   6.366
   60    HE2  LYS   8           HE2      LYS   8   4.687   1.120   4.500
   61    HE3  LYS   8           HE3      LYS   8   5.989   0.390   3.563
   62    HZ1  LYS   8           HZ1      LYS   8   4.179  -1.346   5.092
   63    HZ2  LYS   8           HZ2      LYS   8   5.034  -1.674   3.670
   64    HZ3  LYS   8           HZ3      LYS   8   3.650  -0.703   3.619
   65    H    VAL   9           H        VAL   9  10.274   3.862   5.387
   66    HA   VAL   9           HA       VAL   9  12.059   2.071   6.637
   67    HB   VAL   9           HB       VAL   9  12.808   4.626   5.216
   68   HG11  VAL   9          HG11      VAL   9  14.500   3.179   6.557
   69   HG12  VAL   9          HG12      VAL   9  14.369   2.077   5.185
   70   HG13  VAL   9          HG13      VAL   9  14.921   3.734   4.937
   71   HG21  VAL   9          HG21      VAL   9  13.003   3.092   3.206
   72   HG22  VAL   9          HG22      VAL   9  12.045   1.929   4.122
   73   HG23  VAL   9          HG23      VAL   9  11.366   3.505   3.717
   74    H    ALA  10           H        ALA  10  11.388   5.508   7.159
   75    HA   ALA  10           HA       ALA  10  13.411   6.022   9.027
   76    HB1  ALA  10           HB1      ALA  10  11.821   7.651   7.810
   77    HB2  ALA  10           HB2      ALA  10  10.738   7.363   9.173
   78    HB3  ALA  10           HB3      ALA  10  12.344   8.040   9.449
   79    H    ALA  11           H        ALA  11  10.081   4.891   9.472
   80    HA   ALA  11           HA       ALA  11  10.343   4.767  12.339
   81    HB1  ALA  11           HB1      ALA  11   8.188   5.270  11.287
   82    HB2  ALA  11           HB2      ALA  11   8.176   3.666  10.552
   83    HB3  ALA  11           HB3      ALA  11   8.097   3.833  12.306
   84    H    HIS  12           H        HIS  12  11.339   2.817   9.802
   85    HA   HIS  12           HA       HIS  12  11.785   0.584  11.640
   86    HB2  HIS  12           HB2      HIS  12   9.725   0.218  10.141
   87    HB3  HIS  12           HB3      HIS  12  10.876   0.063   8.817
   88    HD1  HIS  12           HD1      HIS  12   9.451  -2.393   9.040
   89    HD2  HIS  12           HD2      HIS  12  12.575  -1.594  11.660
   90    HE1  HIS  12           HE1      HIS  12  10.171  -4.632   9.931
   91    HB2  I4G  13           HB2      I4G  13  15.641   1.788   9.189
   92    HB3  I4G  13           HB3      I4G  13  16.167   2.294  10.796
   93    HG   I4G  13           HG       I4G  13  17.378   0.315  10.649
   94   HD13  I4G  13          HD13      I4G  13  14.634  -0.785  11.481
   95   HD11  I4G  13          HD11      I4G  13  16.186  -1.602  11.746
   96   HD12  I4G  13          HD12      I4G  13  15.836  -0.079  12.569
   97   HD23  I4G  13          HD23      I4G  13  16.652  -0.162   8.318
   98   HD22  I4G  13          HD22      I4G  13  15.149  -0.879   8.920
   99   HD21  I4G  13          HD21      I4G  13  16.706  -1.647   9.278
  100    HA2  I4G  13           HA2      I4G  13  13.013   2.057  12.378
  101    HA3  I4G  13           HA3      I4G  13  14.629   1.474  12.818
  102    H    VAL  14           H        VAL  14  14.188   3.380  14.210
  103    HA   VAL  14           HA       VAL  14  14.966   5.885  12.894
  104    HB   VAL  14           HB       VAL  14  14.231   5.622  15.797
  105   HG11  VAL  14          HG11      VAL  14  14.189   7.870  15.821
  106   HG12  VAL  14          HG12      VAL  14  15.199   7.722  14.381
  107   HG13  VAL  14          HG13      VAL  14  13.461   7.976  14.218
  108   HG21  VAL  14          HG21      VAL  14  12.412   4.595  14.575
  109   HG22  VAL  14          HG22      VAL  14  11.910   6.178  15.169
  110   HG23  VAL  14          HG23      VAL  14  12.340   5.969  13.472
  111    H    GLY  15           H        GLY  15  16.768   3.562  13.472
  112    HA2  GLY  15           HA2      GLY  15  18.461   4.058  15.634
  113    HA3  GLY  15           HA3      GLY  15  18.939   3.251  14.148
  114    H    ALA  16           H        ALA  16  18.716   5.241  12.289
  115    HA   ALA  16           HA       ALA  16  21.114   6.592  12.469
  116    HB1  ALA  16           HB1      ALA  16  19.896   6.292  10.376
  117    HB2  ALA  16           HB2      ALA  16  18.668   7.437  10.919
  118    HB3  ALA  16           HB3      ALA  16  20.318   7.986  10.628
  119    H    ILE  17           H        ILE  17  17.989   8.299  12.590
  120    HA   ILE  17           HA       ILE  17  18.924  10.677  13.628
  121    HB   ILE  17           HB       ILE  17  16.228   9.421  14.158
  122   HG12  ILE  17          HG12      ILE  17  17.021  11.403  12.017
  123   HG13  ILE  17          HG13      ILE  17  16.889   9.669  11.745
  124   HG21  ILE  17          HG21      ILE  17  15.891  11.174  15.486
  125   HG22  ILE  17          HG22      ILE  17  17.416  11.916  15.006
  126   HG23  ILE  17          HG23      ILE  17  15.964  12.183  14.042
  127   HD11  ILE  17          HD11      ILE  17  14.894  11.518  11.408
  128   HD12  ILE  17          HD12      ILE  17  14.678   9.773  11.549
  129   HD13  ILE  17          HD13      ILE  17  14.512  10.801  12.973
  130    H    ALA  18           H        ALA  18  18.072   7.716  15.313
  131    HA   ALA  18           HA       ALA  18  18.009   8.709  17.934
  132    HB1  ALA  18           HB1      ALA  18  18.807   5.967  16.964
  133    HB2  ALA  18           HB2      ALA  18  18.401   6.388  18.629
  134    HB3  ALA  18           HB3      ALA  18  17.174   6.500  17.367
  135    H    GLU  19           H        GLU  19  20.691   7.211  16.127
  136    HA   GLU  19           HA       GLU  19  22.630   7.429  18.125
  137    HB2  GLU  19           HB2      GLU  19  22.551   6.473  15.535
  138    HB3  GLU  19           HB3      GLU  19  23.673   7.822  15.423
  139    HG2  GLU  19           HG2      GLU  19  24.405   6.426  17.731
  140    HG3  GLU  19           HG3      GLU  19  24.075   5.198  16.510
  141    H    HIS  20           H        HIS  20  21.235   9.824  16.086
  142    HA   HIS  20           HA       HIS  20  23.390  11.727  16.449
  143    HB2  HIS  20           HB2      HIS  20  21.280  11.422  14.608
  144    HB3  HIS  20           HB3      HIS  20  20.949  12.916  15.479
  145    HD1  HIS  20           HD1      HIS  20  23.882  13.885  15.826
  146    HD2  HIS  20           HD2      HIS  20  22.254  12.466  12.277
  147    HE1  HIS  20           HE1      HIS  20  25.299  14.867  13.995
  148    H    PHE  21           H        PHE  21  20.185  11.092  17.741
  149    HA   PHE  21           HA       PHE  21  19.916  13.512  19.189
  150    HB2  PHE  21           HB2      PHE  21  18.456  11.013  18.912
  151    HB3  PHE  21           HB3      PHE  21  18.441  11.597  20.572
  152    HD1  PHE  21           HD2      PHE  21  17.428  12.299  17.126
  153    HD2  PHE  21           HD1      PHE  21  17.303  13.628  21.168
  154    HE1  PHE  21           HE2      PHE  21  15.647  13.894  16.543
  155    HE2  PHE  21           HE1      PHE  21  15.521  15.224  20.592
  156    HZ   PHE  21           HZ       PHE  21  14.692  15.359  18.277
  157    HN1  NH2  22           HN1      NH2  22  20.827  10.065  20.229
  158    HN2  NH2  22           HN2      NH2  22  21.710  10.535  21.714
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1   2.235   2.087   1.442
    2    HA2  GLY   1           HA2      GLY   1   4.206   1.433  -0.117
    3    HA3  GLY   1           HA3      GLY   1   3.145   2.095  -1.352
    4    H    LEU   2           H        LEU   2   2.235   4.361  -0.642
    5    HA   LEU   2           HA       LEU   2   4.392   6.141  -0.644
    6    HB2  LEU   2           HB2      LEU   2   2.773   7.891  -0.433
    7    HB3  LEU   2           HB3      LEU   2   2.127   6.642  -1.494
    8    HG   LEU   2           HG       LEU   2   1.297   6.236   1.250
    9   HD11  LEU   2          HD11      LEU   2   1.422   8.586   1.549
   10   HD12  LEU   2          HD12      LEU   2  -0.272   8.197   1.253
   11   HD13  LEU   2          HD13      LEU   2   0.710   8.893  -0.035
   12   HD21  LEU   2          HD21      LEU   2  -0.861   6.022   0.234
   13   HD22  LEU   2          HD22      LEU   2   0.321   5.228  -0.807
   14   HD23  LEU   2          HD23      LEU   2  -0.303   6.821  -1.236
   15    H    PHE   3           H        PHE   3   2.810   4.545   1.947
   16    HA   PHE   3           HA       PHE   3   3.762   6.431   3.950
   17    HB2  PHE   3           HB2      PHE   3   1.721   5.678   4.675
   18    HB3  PHE   3           HB3      PHE   3   1.921   4.094   3.934
   19    HD1  PHE   3           HD1      PHE   3   2.604   6.147   6.880
   20    HD2  PHE   3           HD2      PHE   3   3.038   2.304   5.103
   21    HE1  PHE   3           HE1      PHE   3   3.207   5.206   9.072
   22    HE2  PHE   3           HE2      PHE   3   3.641   1.356   7.292
   23    HZ   PHE   3           HZ       PHE   3   3.725   2.807   9.280
   24    H    GLY   4           H        GLY   4   4.622   3.375   2.550
   25    HA2  GLY   4           HA2      GLY   4   6.542   2.780   4.664
   26    HA3  GLY   4           HA3      GLY   4   6.173   1.766   3.277
   27    H    VAL   5           H        VAL   5   6.477   4.341   1.612
   28    HA   VAL   5           HA       VAL   5   9.285   3.926   1.049
   29    HB   VAL   5           HB       VAL   5   7.270   5.742  -0.284
   30   HG11  VAL   5          HG11      VAL   5   8.910   5.897  -2.101
   31   HG12  VAL   5          HG12      VAL   5   9.543   6.559  -0.593
   32   HG13  VAL   5          HG13      VAL   5  10.056   4.962  -1.141
   33   HG21  VAL   5          HG21      VAL   5   7.583   2.943  -0.383
   34   HG22  VAL   5          HG22      VAL   5   6.552   3.956  -1.394
   35   HG23  VAL   5          HG23      VAL   5   8.196   3.579  -1.910
   36    H    LEU   6           H        LEU   6   7.263   6.332   2.554
   37    HA   LEU   6           HA       LEU   6   9.226   8.419   2.521
   38    HB2  LEU   6           HB2      LEU   6   6.497   8.176   3.161
   39    HB3  LEU   6           HB3      LEU   6   7.304   8.733   4.625
   40    HG   LEU   6           HG       LEU   6   7.340  10.090   1.931
   41   HD11  LEU   6          HD11      LEU   6   6.320  11.884   3.640
   42   HD12  LEU   6          HD12      LEU   6   5.736  10.398   4.388
   43   HD13  LEU   6          HD13      LEU   6   5.330  10.758   2.711
   44   HD21  LEU   6          HD21      LEU   6   9.095  10.307   4.230
   45   HD22  LEU   6          HD22      LEU   6   8.310  11.838   3.842
   46   HD23  LEU   6          HD23      LEU   6   9.257  10.996   2.615
   47    H    ALA   7           H        ALA   7   8.259   5.900   4.769
   48    HA   ALA   7           HA       ALA   7   9.851   6.875   6.942
   49    HB1  ALA   7           HB1      ALA   7   7.862   5.505   7.327
   50    HB2  ALA   7           HB2      ALA   7   8.641   4.146   6.517
   51    HB3  ALA   7           HB3      ALA   7   9.301   4.766   8.030
   52    H    LYS   8           H        LYS   8  10.394   4.847   4.187
   53    HA   LYS   8           HA       LYS   8  12.581   3.343   5.045
   54    HB2  LYS   8           HB2      LYS   8  11.255   3.876   2.589
   55    HB3  LYS   8           HB3      LYS   8  12.976   4.120   2.321
   56    HG2  LYS   8           HG2      LYS   8  11.827   1.644   3.582
   57    HG3  LYS   8           HG3      LYS   8  12.141   1.812   1.853
   58    HD2  LYS   8           HD2      LYS   8  14.488   2.115   2.248
   59    HD3  LYS   8           HD3      LYS   8  14.233   2.184   3.994
   60    HE2  LYS   8           HE2      LYS   8  13.174  -0.235   2.738
   61    HE3  LYS   8           HE3      LYS   8  14.920  -0.054   2.568
   62    HZ1  LYS   8           HZ1      LYS   8  13.486  -0.899   4.810
   63    HZ2  LYS   8           HZ2      LYS   8  14.206   0.580   5.204
   64    HZ3  LYS   8           HZ3      LYS   8  15.159  -0.705   4.655
   65    H    VAL   9           H        VAL   9  12.442   6.604   3.676
   66    HA   VAL   9           HA       VAL   9  15.235   7.008   3.518
   67    HB   VAL   9           HB       VAL   9  13.140   9.147   3.899
   68   HG11  VAL   9          HG11      VAL   9  15.285  10.095   4.128
   69   HG12  VAL   9          HG12      VAL   9  15.939   9.135   2.801
   70   HG13  VAL   9          HG13      VAL   9  14.795  10.436   2.469
   71   HG21  VAL   9          HG21      VAL   9  13.705   7.375   1.623
   72   HG22  VAL   9          HG22      VAL   9  12.248   8.287   2.018
   73   HG23  VAL   9          HG23      VAL   9  13.605   9.092   1.230
   74    H    ALA  10           H        ALA  10  12.847   7.756   6.025
   75    HA   ALA  10           HA       ALA  10  14.627   9.113   7.756
   76    HB1  ALA  10           HB1      ALA  10  12.906   9.002   9.386
   77    HB2  ALA  10           HB2      ALA  10  12.116   9.210   7.823
   78    HB3  ALA  10           HB3      ALA  10  12.149   7.622   8.589
   79    H    ALA  11           H        ALA  11  14.027   5.761   7.140
   80    HA   ALA  11           HA       ALA  11  15.529   4.970   9.534
   81    HB1  ALA  11           HB1      ALA  11  14.003   3.231   7.599
   82    HB2  ALA  11           HB2      ALA  11  14.719   2.728   9.131
   83    HB3  ALA  11           HB3      ALA  11  13.367   3.860   9.119
   84    H    HIS  12           H        HIS  12  16.155   5.790   6.425
   85    HA   HIS  12           HA       HIS  12  18.527   4.051   6.334
   86    HB2  HIS  12           HB2      HIS  12  16.804   3.344   4.666
   87    HB3  HIS  12           HB3      HIS  12  16.936   4.933   3.918
   88    HD1  HIS  12           HD1      HIS  12  17.564   2.973   1.948
   89    HD2  HIS  12           HD2      HIS  12  20.437   4.056   4.747
   90    HE1  HIS  12           HE1      HIS  12  19.769   2.312   0.937
   91    HB2  I4G  13           HB2      I4G  13  21.038   7.824   7.598
   92    HB3  I4G  13           HB3      I4G  13  21.262   7.510   5.876
   93    HG   I4G  13           HG       I4G  13  19.329   8.874   5.284
   94   HD13  I4G  13          HD13      I4G  13  18.768   9.110   8.294
   95   HD11  I4G  13          HD11      I4G  13  17.897   9.984   7.020
   96   HD12  I4G  13          HD12      I4G  13  17.778   8.224   7.126
   97   HD23  I4G  13          HD23      I4G  13  21.426  10.122   5.768
   98   HD22  I4G  13          HD22      I4G  13  20.944  10.296   7.464
   99   HD21  I4G  13          HD21      I4G  13  20.005  11.089   6.187
  100    HA2  I4G  13           HA2      I4G  13  19.877   4.596   7.683
  101    HA3  I4G  13           HA3      I4G  13  20.846   5.905   8.385
  102    H    VAL  14           H        VAL  14  19.959   4.722  10.249
  103    HA   VAL  14           HA       VAL  14  17.275   5.656  10.978
  104    HB   VAL  14           HB       VAL  14  18.973   3.823  12.649
  105   HG11  VAL  14          HG11      VAL  14  16.061   3.488  12.472
  106   HG12  VAL  14          HG12      VAL  14  17.121   3.501  13.883
  107   HG13  VAL  14          HG13      VAL  14  16.593   5.021  13.160
  108   HG21  VAL  14          HG21      VAL  14  17.161   3.040  10.369
  109   HG22  VAL  14          HG22      VAL  14  18.909   2.820  10.445
  110   HG23  VAL  14          HG23      VAL  14  17.859   1.923  11.541
  111    H    GLY  15           H        GLY  15  19.757   7.332  10.872
  112    HA2  GLY  15           HA2      GLY  15  20.750   7.900  13.417
  113    HA3  GLY  15           HA3      GLY  15  20.675   9.048  12.088
  114    H    ALA  16           H        ALA  16  17.986   9.368  11.727
  115    HA   ALA  16           HA       ALA  16  17.288  11.286  13.582
  116    HB1  ALA  16           HB1      ALA  16  15.984   9.924  11.382
  117    HB2  ALA  16           HB2      ALA  16  14.850  10.344  12.667
  118    HB3  ALA  16           HB3      ALA  16  15.840  11.598  11.920
  119    H    ILE  17           H        ILE  17  15.519   8.205  13.317
  120    HA   ILE  17           HA       ILE  17  14.239   8.319  15.757
  121    HB   ILE  17           HB       ILE  17  15.205   5.825  14.352
  122   HG12  ILE  17          HG12      ILE  17  12.518   7.204  14.185
  123   HG13  ILE  17          HG13      ILE  17  13.789   7.370  12.979
  124   HG21  ILE  17          HG21      ILE  17  12.812   5.300  15.663
  125   HG22  ILE  17          HG22      ILE  17  14.419   4.750  16.133
  126   HG23  ILE  17          HG23      ILE  17  13.760   6.234  16.820
  127   HD11  ILE  17          HD11      ILE  17  12.316   5.768  12.124
  128   HD12  ILE  17          HD12      ILE  17  13.682   4.845  12.750
  129   HD13  ILE  17          HD13      ILE  17  12.183   4.938  13.674
  130    H    ALA  18           H        ALA  18  17.491   7.218  15.020
  131    HA   ALA  18           HA       ALA  18  18.086   5.954  17.450
  132    HB1  ALA  18           HB1      ALA  18  19.601   5.556  15.727
  133    HB2  ALA  18           HB2      ALA  18  19.778   7.272  15.357
  134    HB3  ALA  18           HB3      ALA  18  20.493   6.608  16.826
  135    H    GLU  19           H        GLU  19  18.746   9.302  16.414
  136    HA   GLU  19           HA       GLU  19  19.889  10.186  18.803
  137    HB2  GLU  19           HB2      GLU  19  19.312  11.309  16.347
  138    HB3  GLU  19           HB3      GLU  19  18.280  12.213  17.446
  139    HG2  GLU  19           HG2      GLU  19  21.028  11.860  18.387
  140    HG3  GLU  19           HG3      GLU  19  20.875  12.796  16.901
  141    H    HIS  20           H        HIS  20  16.612   9.512  18.004
  142    HA   HIS  20           HA       HIS  20  15.531  11.070  20.203
  143    HB2  HIS  20           HB2      HIS  20  14.280   9.278  18.125
  144    HB3  HIS  20           HB3      HIS  20  13.355   9.966  19.456
  145    HD1  HIS  20           HD1      HIS  20  14.497  12.820  19.463
  146    HD2  HIS  20           HD2      HIS  20  13.380  10.764  16.030
  147    HE1  HIS  20           HE1      HIS  20  14.021  14.592  17.743
  148    H    PHE  21           H        PHE  21  16.126   7.697  19.369
  149    HA   PHE  21           HA       PHE  21  14.842   6.580  21.636
  150    HB2  PHE  21           HB2      PHE  21  16.547   5.625  19.444
  151    HB3  PHE  21           HB3      PHE  21  16.746   4.729  20.946
  152    HD1  PHE  21           HD2      PHE  21  13.970   6.112  18.868
  153    HD2  PHE  21           HD1      PHE  21  15.429   2.880  21.221
  154    HE1  PHE  21           HE2      PHE  21  11.929   4.831  18.368
  155    HE2  PHE  21           HE1      PHE  21  13.391   1.593  20.724
  156    HZ   PHE  21           HZ       PHE  21  11.638   2.569  19.297
  157    HN1  NH2  22           HN1      NH2  22  17.813   8.427  21.216
  158    HN2  NH2  22           HN2      NH2  22  18.613   8.019  22.765
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -0.414   5.127  -0.140
    2    HA2  GLY   1           HA2      GLY   1   1.043   4.126  -1.992
    3    HA3  GLY   1           HA3      GLY   1   0.738   5.853  -2.112
    4    H    LEU   2           H        LEU   2   2.628   6.421  -3.113
    5    HA   LEU   2           HA       LEU   2   5.186   5.492  -2.422
    6    HB2  LEU   2           HB2      LEU   2   4.063   7.665  -4.054
    7    HB3  LEU   2           HB3      LEU   2   5.694   7.949  -3.451
    8    HG   LEU   2           HG       LEU   2   5.751   7.021  -5.693
    9   HD11  LEU   2          HD11      LEU   2   7.417   5.459  -5.326
   10   HD12  LEU   2          HD12      LEU   2   6.618   4.786  -3.905
   11   HD13  LEU   2          HD13      LEU   2   7.401   6.363  -3.812
   12   HD21  LEU   2          HD21      LEU   2   3.584   5.493  -4.820
   13   HD22  LEU   2          HD22      LEU   2   4.890   4.338  -5.089
   14   HD23  LEU   2          HD23      LEU   2   4.382   5.416  -6.391
   15    H    PHE   3           H        PHE   3   3.249   8.152  -1.207
   16    HA   PHE   3           HA       PHE   3   5.208   9.566   0.186
   17    HB2  PHE   3           HB2      PHE   3   2.454   9.736  -0.111
   18    HB3  PHE   3           HB3      PHE   3   2.670   9.448   1.612
   19    HD1  PHE   3           HD2      PHE   3   4.244  11.521  -1.067
   20    HD2  PHE   3           HD1      PHE   3   2.799  11.310   2.931
   21    HE1  PHE   3           HE2      PHE   3   4.797  13.897  -0.745
   22    HE2  PHE   3           HE1      PHE   3   3.348  13.686   3.259
   23    HZ   PHE   3           HZ       PHE   3   4.350  14.982   1.419
   24    H    GLY   4           H        GLY   4   3.180   6.848   1.245
   25    HA2  GLY   4           HA2      GLY   4   4.119   6.741   3.897
   26    HA3  GLY   4           HA3      GLY   4   3.379   5.409   3.021
   27    H    VAL   5           H        VAL   5   5.391   5.378   0.921
   28    HA   VAL   5           HA       VAL   5   7.242   3.605   2.137
   29    HB   VAL   5           HB       VAL   5   7.499   4.873  -0.590
   30   HG11  VAL   5          HG11      VAL   5   9.482   3.682   0.215
   31   HG12  VAL   5          HG12      VAL   5   8.502   2.242   0.493
   32   HG13  VAL   5          HG13      VAL   5   8.733   2.850  -1.147
   33   HG21  VAL   5          HG21      VAL   5   5.563   3.885  -1.092
   34   HG22  VAL   5          HG22      VAL   5   6.420   2.352  -0.932
   35   HG23  VAL   5          HG23      VAL   5   5.525   3.007   0.438
   36    H    LEU   6           H        LEU   6   7.391   6.977   1.156
   37    HA   LEU   6           HA       LEU   6  10.145   7.385   1.295
   38    HB2  LEU   6           HB2      LEU   6   7.878   8.951   0.910
   39    HB3  LEU   6           HB3      LEU   6   8.653   9.634   2.338
   40    HG   LEU   6           HG       LEU   6  10.097   9.193  -0.268
   41   HD11  LEU   6          HD11      LEU   6   8.030  11.006   0.167
   42   HD12  LEU   6          HD12      LEU   6   9.223  11.042  -1.130
   43   HD13  LEU   6          HD13      LEU   6   9.511  11.945   0.357
   44   HD21  LEU   6          HD21      LEU   6  11.577  10.967   0.748
   45   HD22  LEU   6          HD22      LEU   6  11.623   9.387   1.529
   46   HD23  LEU   6          HD23      LEU   6  10.707  10.706   2.260
   47    H    ALA   7           H        ALA   7   7.714   7.286   3.828
   48    HA   ALA   7           HA       ALA   7   9.538   8.160   5.884
   49    HB1  ALA   7           HB1      ALA   7   7.739   8.195   7.294
   50    HB2  ALA   7           HB2      ALA   7   6.915   8.364   5.744
   51    HB3  ALA   7           HB3      ALA   7   6.979   6.793   6.542
   52    H    LYS   8           H        LYS   8   8.346   5.123   4.617
   53    HA   LYS   8           HA       LYS   8   9.071   3.408   6.695
   54    HB2  LYS   8           HB2      LYS   8   8.169   3.163   4.012
   55    HB3  LYS   8           HB3      LYS   8   9.579   2.127   4.189
   56    HG2  LYS   8           HG2      LYS   8   8.407   1.270   6.318
   57    HG3  LYS   8           HG3      LYS   8   6.959   2.002   5.624
   58    HD2  LYS   8           HD2      LYS   8   6.760   0.406   4.054
   59    HD3  LYS   8           HD3      LYS   8   8.499   0.355   3.750
   60    HE2  LYS   8           HE2      LYS   8   7.418  -0.767   6.296
   61    HE3  LYS   8           HE3      LYS   8   7.267  -1.700   4.808
   62    HZ1  LYS   8           HZ1      LYS   8   9.805  -0.668   5.955
   63    HZ2  LYS   8           HZ2      LYS   8   9.665  -1.554   4.521
   64    HZ3  LYS   8           HZ3      LYS   8   9.281  -2.276   6.002
   65    H    VAL   9           H        VAL   9  11.010   5.054   4.343
   66    HA   VAL   9           HA       VAL   9  13.305   3.453   4.347
   67    HB   VAL   9           HB       VAL   9  13.275   6.464   4.145
   68   HG11  VAL   9          HG11      VAL   9  15.401   4.752   4.206
   69   HG12  VAL   9          HG12      VAL   9  15.098   4.901   2.474
   70   HG13  VAL   9          HG13      VAL   9  15.400   6.342   3.445
   71   HG21  VAL   9          HG21      VAL   9  12.680   4.369   2.065
   72   HG22  VAL   9          HG22      VAL   9  11.636   5.685   2.603
   73   HG23  VAL   9          HG23      VAL   9  13.094   6.038   1.675
   74    H    ALA  10           H        ALA  10  12.345   6.112   6.484
   75    HA   ALA  10           HA       ALA  10  14.728   5.718   8.119
   76    HB1  ALA  10           HB1      ALA  10  14.007   7.707   9.322
   77    HB2  ALA  10           HB2      ALA  10  14.042   8.006   7.584
   78    HB3  ALA  10           HB3      ALA  10  12.503   7.734   8.401
   79    H    ALA  11           H        ALA  11  11.370   4.922   8.078
   80    HA   ALA  11           HA       ALA  11  11.029   4.492  10.870
   81    HB1  ALA  11           HB1      ALA  11   9.186   4.847   9.202
   82    HB2  ALA  11           HB2      ALA  11   9.459   3.192   8.655
   83    HB3  ALA  11           HB3      ALA  11   8.944   3.499  10.314
   84    H    HIS  12           H        HIS  12  12.599   2.734   8.402
   85    HA   HIS  12           HA       HIS  12  12.806   0.400  10.187
   86    HB2  HIS  12           HB2      HIS  12  11.425   0.046   8.067
   87    HB3  HIS  12           HB3      HIS  12  12.935   0.224   7.178
   88    HD1  HIS  12           HD1      HIS  12  11.889  -2.368   6.633
   89    HD2  HIS  12           HD2      HIS  12  13.911  -1.686  10.197
   90    HE1  HIS  12           HE1      HIS  12  12.625  -4.636   7.432
   91    HB2  I4G  13           HB2      I4G  13  17.054   2.274  11.245
   92    HB3  I4G  13           HB3      I4G  13  17.225   0.691  10.485
   93    HG   I4G  13           HG       I4G  13  17.295   1.626   8.272
   94   HD13  I4G  13          HD13      I4G  13  16.350   4.287   9.478
   95   HD11  I4G  13          HD11      I4G  13  16.799   4.037   7.781
   96   HD12  I4G  13          HD12      I4G  13  15.384   3.219   8.451
   97   HD23  I4G  13          HD23      I4G  13  19.385   1.998   9.569
   98   HD22  I4G  13          HD22      I4G  13  18.782   3.572  10.112
   99   HD21  I4G  13          HD21      I4G  13  19.131   3.298   8.396
  100    HA2  I4G  13           HA2      I4G  13  13.552   1.693  11.512
  101    HA3  I4G  13           HA3      I4G  13  14.961   1.050  12.377
  102    H    VAL  14           H        VAL  14  13.860   2.641  13.833
  103    HA   VAL  14           HA       VAL  14  14.955   5.337  13.408
  104    HB   VAL  14           HB       VAL  14  13.027   4.602  15.593
  105   HG11  VAL  14          HG11      VAL  14  14.413   6.883  15.132
  106   HG12  VAL  14          HG12      VAL  14  12.922   7.214  14.247
  107   HG13  VAL  14          HG13      VAL  14  12.860   6.815  15.965
  108   HG21  VAL  14          HG21      VAL  14  12.346   5.393  12.763
  109   HG22  VAL  14          HG22      VAL  14  11.988   3.851  13.539
  110   HG23  VAL  14          HG23      VAL  14  11.198   5.325  14.100
  111    H    GLY  15           H        GLY  15  16.435   2.902  14.325
  112    HA2  GLY  15           HA2      GLY  15  16.987   3.262  17.114
  113    HA3  GLY  15           HA3      GLY  15  17.893   2.255  15.994
  114    H    ALA  16           H        ALA  16  18.999   3.810  14.217
  115    HA   ALA  16           HA       ALA  16  21.156   5.007  15.449
  116    HB1  ALA  16           HB1      ALA  16  21.634   6.060  13.284
  117    HB2  ALA  16           HB2      ALA  16  21.176   4.365  13.108
  118    HB3  ALA  16           HB3      ALA  16  20.014   5.636  12.730
  119    H    ILE  17           H        ILE  17  18.039   6.380  14.645
  120    HA   ILE  17           HA       ILE  17  18.546   9.087  14.771
  121    HB   ILE  17           HB       ILE  17  16.133   7.615  15.834
  122   HG12  ILE  17          HG12      ILE  17  16.539   7.209  13.462
  123   HG13  ILE  17          HG13      ILE  17  15.128   8.241  13.666
  124   HG21  ILE  17          HG21      ILE  17  16.847  10.396  15.965
  125   HG22  ILE  17          HG22      ILE  17  15.405  10.175  14.975
  126   HG23  ILE  17          HG23      ILE  17  15.439   9.569  16.630
  127   HD11  ILE  17          HD11      ILE  17  16.483   9.015  11.828
  128   HD12  ILE  17          HD12      ILE  17  16.510  10.197  13.137
  129   HD13  ILE  17          HD13      ILE  17  17.892   9.132  12.881
  130    H    ALA  18           H        ALA  18  18.032   6.823  17.441
  131    HA   ALA  18           HA       ALA  18  17.955   8.660  19.542
  132    HB1  ALA  18           HB1      ALA  18  17.327   6.528  20.159
  133    HB2  ALA  18           HB2      ALA  18  18.698   5.773  19.345
  134    HB3  ALA  18           HB3      ALA  18  18.941   6.643  20.860
  135    H    GLU  19           H        GLU  19  20.738   6.905  18.179
  136    HA   GLU  19           HA       GLU  19  22.695   7.952  19.873
  137    HB2  GLU  19           HB2      GLU  19  22.652   6.199  17.740
  138    HB3  GLU  19           HB3      GLU  19  23.611   7.539  17.129
  139    HG2  GLU  19           HG2      GLU  19  24.324   6.681  19.833
  140    HG3  GLU  19           HG3      GLU  19  24.576   5.461  18.586
  141    H    HIS  20           H        HIS  20  20.984   9.401  17.263
  142    HA   HIS  20           HA       HIS  20  22.921  11.516  16.854
  143    HB2  HIS  20           HB2      HIS  20  21.698  10.793  14.914
  144    HB3  HIS  20           HB3      HIS  20  20.157  11.036  15.731
  145    HD1  HIS  20           HD1      HIS  20  23.146  13.192  14.758
  146    HD2  HIS  20           HD2      HIS  20  19.006  13.377  15.048
  147    HE1  HIS  20           HE1      HIS  20  22.516  15.477  13.919
  148    H    PHE  21           H        PHE  21  19.938  10.987  18.593
  149    HA   PHE  21           HA       PHE  21  19.553  13.772  19.224
  150    HB2  PHE  21           HB2      PHE  21  18.116  11.247  19.691
  151    HB3  PHE  21           HB3      PHE  21  17.978  12.415  21.001
  152    HD1  PHE  21           HD2      PHE  21  17.194  14.764  20.421
  153    HD2  PHE  21           HD1      PHE  21  16.827  11.457  17.766
  154    HE1  PHE  21           HE2      PHE  21  15.460  15.972  19.161
  155    HE2  PHE  21           HE1      PHE  21  15.093  12.661  16.501
  156    HZ   PHE  21           HZ       PHE  21  14.406  14.920  17.199
  157    HN1  NH2  22           HN1      NH2  22  21.729  11.285  20.287
  158    HN2  NH2  22           HN2      NH2  22  22.124  11.910  21.917
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1   3.219  -1.495   2.521
    2    HA2  GLY   1           HA2      GLY   1   1.945  -0.867   0.612
    3    HA3  GLY   1           HA3      GLY   1   1.211   0.418   1.560
    4    H    LEU   2           H        LEU   2   1.856   1.421  -0.650
    5    HA   LEU   2           HA       LEU   2   4.568   2.075  -1.118
    6    HB2  LEU   2           HB2      LEU   2   1.950   3.144  -2.085
    7    HB3  LEU   2           HB3      LEU   2   3.445   3.995  -2.469
    8    HG   LEU   2           HG       LEU   2   3.337   1.098  -3.095
    9   HD11  LEU   2          HD11      LEU   2   1.193   1.633  -3.910
   10   HD12  LEU   2          HD12      LEU   2   2.266   1.704  -5.308
   11   HD13  LEU   2          HD13      LEU   2   1.731   3.194  -4.531
   12   HD21  LEU   2          HD21      LEU   2   5.345   2.360  -3.552
   13   HD22  LEU   2          HD22      LEU   2   4.428   3.545  -4.483
   14   HD23  LEU   2          HD23      LEU   2   4.586   1.890  -5.073
   15    H    PHE   3           H        PHE   3   2.007   3.602   0.731
   16    HA   PHE   3           HA       PHE   3   3.050   6.128   1.127
   17    HB2  PHE   3           HB2      PHE   3   0.892   4.771   2.088
   18    HB3  PHE   3           HB3      PHE   3   1.884   4.895   3.537
   19    HD1  PHE   3           HD1      PHE   3   0.834   7.082   0.698
   20    HD2  PHE   3           HD2      PHE   3   1.477   6.695   4.888
   21    HE1  PHE   3           HE1      PHE   3   0.051   9.392   1.029
   22    HE2  PHE   3           HE2      PHE   3   0.695   9.003   5.225
   23    HZ   PHE   3           HZ       PHE   3  -0.021  10.354   3.294
   24    H    GLY   4           H        GLY   4   3.829   3.119   2.815
   25    HA2  GLY   4           HA2      GLY   4   5.537   4.298   4.754
   26    HA3  GLY   4           HA3      GLY   4   5.495   2.598   4.311
   27    H    VAL   5           H        VAL   5   6.063   3.125   1.492
   28    HA   VAL   5           HA       VAL   5   8.877   2.969   1.585
   29    HB   VAL   5           HB       VAL   5   7.217   3.631  -0.847
   30   HG11  VAL   5          HG11      VAL   5   9.346   3.821  -1.618
   31   HG12  VAL   5          HG12      VAL   5  10.011   2.766  -0.370
   32   HG13  VAL   5          HG13      VAL   5   9.174   2.072  -1.759
   33   HG21  VAL   5          HG21      VAL   5   6.226   1.698   0.150
   34   HG22  VAL   5          HG22      VAL   5   7.198   1.158  -1.220
   35   HG23  VAL   5          HG23      VAL   5   7.806   0.963   0.424
   36    H    LEU   6           H        LEU   6   6.709   5.642   1.374
   37    HA   LEU   6           HA       LEU   6   8.774   7.462   0.421
   38    HB2  LEU   6           HB2      LEU   6   6.867   8.191  -0.541
   39    HB3  LEU   6           HB3      LEU   6   5.847   7.537   0.739
   40    HG   LEU   6           HG       LEU   6   6.427   9.471   2.155
   41   HD11  LEU   6          HD11      LEU   6   8.460   9.830   0.220
   42   HD12  LEU   6          HD12      LEU   6   8.156  10.770   1.681
   43   HD13  LEU   6          HD13      LEU   6   7.404  11.241   0.157
   44   HD21  LEU   6          HD21      LEU   6   5.213   9.965  -0.551
   45   HD22  LEU   6          HD22      LEU   6   5.237  11.192   0.716
   46   HD23  LEU   6          HD23      LEU   6   4.394   9.665   0.982
   47    H    ALA   7           H        ALA   7   6.892   6.799   3.333
   48    HA   ALA   7           HA       ALA   7   7.962   8.976   4.836
   49    HB1  ALA   7           HB1      ALA   7   6.607   6.462   5.804
   50    HB2  ALA   7           HB2      ALA   7   6.898   7.918   6.756
   51    HB3  ALA   7           HB3      ALA   7   5.800   7.971   5.377
   52    H    LYS   8           H        LYS   8   9.017   5.764   4.117
   53    HA   LYS   8           HA       LYS   8  10.683   5.226   6.287
   54    HB2  LYS   8           HB2      LYS   8  10.184   4.115   3.721
   55    HB3  LYS   8           HB3      LYS   8  11.926   4.294   3.885
   56    HG2  LYS   8           HG2      LYS   8  11.603   3.154   6.175
   57    HG3  LYS   8           HG3      LYS   8  10.037   2.658   5.528
   58    HD2  LYS   8           HD2      LYS   8  12.005   2.149   3.545
   59    HD3  LYS   8           HD3      LYS   8  12.596   1.500   5.077
   60    HE2  LYS   8           HE2      LYS   8   9.807   0.973   4.095
   61    HE3  LYS   8           HE3      LYS   8  11.170  -0.032   3.606
   62    HZ1  LYS   8           HZ1      LYS   8  10.394   0.473   6.427
   63    HZ2  LYS   8           HZ2      LYS   8  11.579  -0.603   5.879
   64    HZ3  LYS   8           HZ3      LYS   8   9.947  -0.901   5.547
   65    H    VAL   9           H        VAL   9  11.079   7.413   3.623
   66    HA   VAL   9           HA       VAL   9  13.887   7.728   3.743
   67    HB   VAL   9           HB       VAL   9  11.890   9.816   2.872
   68   HG11  VAL   9          HG11      VAL   9  13.727  10.551   1.406
   69   HG12  VAL   9          HG12      VAL   9  14.149  10.660   3.116
   70   HG13  VAL   9          HG13      VAL   9  14.774   9.334   2.134
   71   HG21  VAL   9          HG21      VAL   9  12.183   8.866   0.602
   72   HG22  VAL   9          HG22      VAL   9  13.072   7.519   1.314
   73   HG23  VAL   9          HG23      VAL   9  11.372   7.765   1.716
   74    H    ALA  10           H        ALA  10  11.213   9.426   5.323
   75    HA   ALA  10           HA       ALA  10  12.984  11.248   6.693
   76    HB1  ALA  10           HB1      ALA  10  10.078  10.816   7.320
   77    HB2  ALA  10           HB2      ALA  10  11.054  12.266   7.561
   78    HB3  ALA  10           HB3      ALA  10  10.611  11.763   5.930
   79    H    ALA  11           H        ALA  11  11.495   8.179   7.314
   80    HA   ALA  11           HA       ALA  11  11.808   8.268  10.167
   81    HB1  ALA  11           HB1      ALA  11  11.574   5.607   9.509
   82    HB2  ALA  11           HB2      ALA  11  10.242   6.704   9.877
   83    HB3  ALA  11           HB3      ALA  11  10.714   6.421   8.201
   84    H    HIS  12           H        HIS  12  13.782   7.378   7.466
   85    HA   HIS  12           HA       HIS  12  16.035   6.939   9.228
   86    HB2  HIS  12           HB2      HIS  12  14.774   4.696   8.799
   87    HB3  HIS  12           HB3      HIS  12  15.513   4.787   7.202
   88    HD1  HIS  12           HD1      HIS  12  18.318   5.699   7.849
   89    HD2  HIS  12           HD2      HIS  12  16.281   2.868  10.107
   90    HE1  HIS  12           HE1      HIS  12  20.099   4.370   9.026
   91    HB2  I4G  13           HB2      I4G  13  16.618   9.602   5.214
   92    HB3  I4G  13           HB3      I4G  13  17.520  10.460   6.464
   93    HG   I4G  13           HG       I4G  13  18.279   7.815   5.117
   94   HD13  I4G  13          HD13      I4G  13  19.714  10.525   5.281
   95   HD11  I4G  13          HD11      I4G  13  20.364   9.070   4.502
   96   HD12  I4G  13          HD12      I4G  13  18.927   9.859   3.843
   97   HD23  I4G  13          HD23      I4G  13  18.730   7.642   7.557
   98   HD22  I4G  13          HD22      I4G  13  19.636   9.163   7.510
   99   HD21  I4G  13          HD21      I4G  13  20.241   7.740   6.642
  100    HA2  I4G  13           HA2      I4G  13  16.118  10.648   7.975
  101    HA3  I4G  13           HA3      I4G  13  15.111   9.328   8.597
  102    H    VAL  14           H        VAL  14  15.487  10.175  10.620
  103    HA   VAL  14           HA       VAL  14  18.181   9.732  11.702
  104    HB   VAL  14           HB       VAL  14  15.914  11.002  13.212
  105   HG11  VAL  14          HG11      VAL  14  17.459  11.535  14.754
  106   HG12  VAL  14          HG12      VAL  14  18.399  10.243  14.004
  107   HG13  VAL  14          HG13      VAL  14  18.681  11.922  13.543
  108   HG21  VAL  14          HG21      VAL  14  16.757  13.194  12.458
  109   HG22  VAL  14          HG22      VAL  14  17.829  12.372  11.325
  110   HG23  VAL  14          HG23      VAL  14  16.081  12.240  11.138
  111    H    GLY  15           H        GLY  15  16.177   7.617  11.050
  112    HA2  GLY  15           HA2      GLY  15  14.952   6.590  13.342
  113    HA3  GLY  15           HA3      GLY  15  15.461   5.636  11.957
  114    H    ALA  16           H        ALA  16  18.180   5.888  12.023
  115    HA   ALA  16           HA       ALA  16  18.986   3.947  13.810
  116    HB1  ALA  16           HB1      ALA  16  20.376   5.938  12.128
  117    HB2  ALA  16           HB2      ALA  16  21.319   5.204  13.425
  118    HB3  ALA  16           HB3      ALA  16  20.559   4.185  12.203
  119    H    ILE  17           H        ILE  17  20.078   7.327  14.088
  120    HA   ILE  17           HA       ILE  17  20.989   7.195  16.688
  121    HB   ILE  17           HB       ILE  17  19.722   9.589  15.351
  122   HG12  ILE  17          HG12      ILE  17  22.636   8.795  15.511
  123   HG13  ILE  17          HG13      ILE  17  21.614   8.529  14.103
  124   HG21  ILE  17          HG21      ILE  17  20.016  10.618  17.297
  125   HG22  ILE  17          HG22      ILE  17  20.812   9.203  17.984
  126   HG23  ILE  17          HG23      ILE  17  21.753  10.395  17.089
  127   HD11  ILE  17          HD11      ILE  17  21.842  11.280  15.203
  128   HD12  ILE  17          HD12      ILE  17  23.179  10.615  14.263
  129   HD13  ILE  17          HD13      ILE  17  21.573  10.742  13.546
  130    H    ALA  18           H        ALA  18  17.716   7.706  15.519
  131    HA   ALA  18           HA       ALA  18  16.525   8.538  17.918
  132    HB1  ALA  18           HB1      ALA  18  14.410   7.758  16.907
  133    HB2  ALA  18           HB2      ALA  18  15.370   8.752  15.811
  134    HB3  ALA  18           HB3      ALA  18  15.338   7.000  15.612
  135    H    GLU  19           H        GLU  19  16.994   5.290  16.564
  136    HA   GLU  19           HA       GLU  19  15.617   3.853  18.526
  137    HB2  GLU  19           HB2      GLU  19  17.047   3.228  16.246
  138    HB3  GLU  19           HB3      GLU  19  18.002   2.494  17.526
  139    HG2  GLU  19           HG2      GLU  19  15.127   2.005  17.743
  140    HG3  GLU  19           HG3      GLU  19  15.875   1.337  16.294
  141    H    HIS  20           H        HIS  20  18.661   5.451  18.634
  142    HA   HIS  20           HA       HIS  20  19.553   3.987  20.988
  143    HB2  HIS  20           HB2      HIS  20  20.782   6.074  19.216
  144    HB3  HIS  20           HB3      HIS  20  21.464   5.753  20.808
  145    HD1  HIS  20           HD1      HIS  20  21.112   2.649  20.778
  146    HD2  HIS  20           HD2      HIS  20  22.731   4.905  17.688
  147    HE1  HIS  20           HE1      HIS  20  22.560   1.060  19.473
  148    H    PHE  21           H        PHE  21  18.222   7.103  20.099
  149    HA   PHE  21           HA       PHE  21  18.662   8.345  22.630
  150    HB2  PHE  21           HB2      PHE  21  17.370   9.036  20.092
  151    HB3  PHE  21           HB3      PHE  21  16.556   9.713  21.499
  152    HD1  PHE  21           HD2      PHE  21  19.939   9.384  19.984
  153    HD2  PHE  21           HD1      PHE  21  17.311  11.694  22.408
  154    HE1  PHE  21           HE2      PHE  21  21.617  11.181  20.083
  155    HE2  PHE  21           HE1      PHE  21  18.984  13.495  22.511
  156    HZ   PHE  21           HZ       PHE  21  21.141  13.240  21.349
  157    HN1  NH2  22           HN1      NH2  22  16.135   6.198  21.177
  158    HN2  NH2  22           HN2      NH2  22  15.021   6.164  22.578
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1   0.928   4.171  -3.487
    2    HA2  GLY   1           HA2      GLY   1   1.132   6.315  -1.630
    3    HA3  GLY   1           HA3      GLY   1   1.234   4.603  -1.248
    4    H    LEU   2           H        LEU   2   3.370   6.120  -3.557
    5    HA   LEU   2           HA       LEU   2   5.708   5.125  -2.461
    6    HB2  LEU   2           HB2      LEU   2   4.995   7.161  -4.442
    7    HB3  LEU   2           HB3      LEU   2   6.560   7.419  -3.674
    8    HG   LEU   2           HG       LEU   2   5.904   4.750  -4.851
    9   HD11  LEU   2          HD11      LEU   2   6.815   5.472  -6.990
   10   HD12  LEU   2          HD12      LEU   2   6.932   7.127  -6.394
   11   HD13  LEU   2          HD13      LEU   2   5.351   6.372  -6.593
   12   HD21  LEU   2          HD21      LEU   2   7.911   4.653  -3.715
   13   HD22  LEU   2          HD22      LEU   2   8.350   6.310  -4.133
   14   HD23  LEU   2          HD23      LEU   2   8.439   5.039  -5.353
   15    H    PHE   3           H        PHE   3   4.051   8.165  -1.808
   16    HA   PHE   3           HA       PHE   3   6.019   9.463  -0.331
   17    HB2  PHE   3           HB2      PHE   3   3.365   9.950  -0.987
   18    HB3  PHE   3           HB3      PHE   3   3.350   9.858   0.771
   19    HD1  PHE   3           HD1      PHE   3   4.652  11.670  -2.136
   20    HD2  PHE   3           HD2      PHE   3   4.439  11.521   2.112
   21    HE1  PHE   3           HE1      PHE   3   5.502  13.976  -2.016
   22    HE2  PHE   3           HE2      PHE   3   5.288  13.826   2.239
   23    HZ   PHE   3           HZ       PHE   3   5.820  15.057   0.174
   24    H    GLY   4           H        GLY   4   3.603   7.089   0.699
   25    HA2  GLY   4           HA2      GLY   4   4.221   7.226   3.468
   26    HA3  GLY   4           HA3      GLY   4   3.356   5.924   2.665
   27    H    VAL   5           H        VAL   5   5.596   5.438   0.800
   28    HA   VAL   5           HA       VAL   5   6.957   3.479   2.325
   29    HB   VAL   5           HB       VAL   5   7.803   4.554  -0.364
   30   HG11  VAL   5          HG11      VAL   5   8.161   1.755  -0.070
   31   HG12  VAL   5          HG12      VAL   5   9.390   3.006  -0.266
   32   HG13  VAL   5          HG13      VAL   5   8.848   2.545   1.349
   33   HG21  VAL   5          HG21      VAL   5   5.585   3.989  -0.753
   34   HG22  VAL   5          HG22      VAL   5   6.443   2.502  -1.159
   35   HG23  VAL   5          HG23      VAL   5   5.620   2.650   0.394
   36    H    LEU   6           H        LEU   6   7.898   6.666   1.108
   37    HA   LEU   6           HA       LEU   6  10.595   6.634   1.751
   38    HB2  LEU   6           HB2      LEU   6   8.763   8.505   0.837
   39    HB3  LEU   6           HB3      LEU   6   9.361   9.190   2.346
   40    HG   LEU   6           HG       LEU   6  11.028   8.394  -0.040
   41   HD11  LEU   6          HD11      LEU   6  11.401  10.740  -0.343
   42   HD12  LEU   6          HD12      LEU   6  10.485  11.123   1.115
   43   HD13  LEU   6          HD13      LEU   6   9.661  10.454  -0.294
   44   HD21  LEU   6          HD21      LEU   6  11.711   8.827   2.741
   45   HD22  LEU   6          HD22      LEU   6  12.542   9.960   1.674
   46   HD23  LEU   6          HD23      LEU   6  12.704   8.222   1.415
   47    H    ALA   7           H        ALA   7   7.946   7.941   3.755
   48    HA   ALA   7           HA       ALA   7   9.540   8.386   6.037
   49    HB1  ALA   7           HB1      ALA   7   7.303   8.426   7.233
   50    HB2  ALA   7           HB2      ALA   7   7.508   9.569   5.905
   51    HB3  ALA   7           HB3      ALA   7   6.572   8.094   5.662
   52    H    LYS   8           H        LYS   8   7.950   5.557   4.802
   53    HA   LYS   8           HA       LYS   8   7.724   4.022   7.121
   54    HB2  LYS   8           HB2      LYS   8   7.461   3.616   4.321
   55    HB3  LYS   8           HB3      LYS   8   8.499   2.339   4.943
   56    HG2  LYS   8           HG2      LYS   8   5.820   3.028   6.124
   57    HG3  LYS   8           HG3      LYS   8   6.063   1.795   4.885
   58    HD2  LYS   8           HD2      LYS   8   7.890   1.519   7.138
   59    HD3  LYS   8           HD3      LYS   8   6.193   1.404   7.610
   60    HE2  LYS   8           HE2      LYS   8   7.015  -0.095   5.195
   61    HE3  LYS   8           HE3      LYS   8   7.619  -0.689   6.741
   62    HZ1  LYS   8           HZ1      LYS   8   4.770  -0.046   6.519
   63    HZ2  LYS   8           HZ2      LYS   8   5.538  -1.228   7.453
   64    HZ3  LYS   8           HZ3      LYS   8   5.323  -1.471   5.793
   65    H    VAL   9           H        VAL   9  10.466   4.496   4.942
   66    HA   VAL   9           HA       VAL   9  12.179   2.574   6.074
   67    HB   VAL   9           HB       VAL   9  13.035   5.164   4.782
   68   HG11  VAL   9          HG11      VAL   9  15.091   4.384   5.086
   69   HG12  VAL   9          HG12      VAL   9  14.453   2.919   5.836
   70   HG13  VAL   9          HG13      VAL   9  14.688   2.987   4.089
   71   HG21  VAL   9          HG21      VAL   9  12.211   2.553   3.524
   72   HG22  VAL   9          HG22      VAL   9  11.463   4.134   3.299
   73   HG23  VAL   9          HG23      VAL   9  13.083   3.828   2.672
   74    H    ALA  10           H        ALA  10  11.724   6.018   6.778
   75    HA   ALA  10           HA       ALA  10  13.785   6.240   8.690
   76    HB1  ALA  10           HB1      ALA  10  11.321   7.848   8.116
   77    HB2  ALA  10           HB2      ALA  10  12.373   8.238   9.477
   78    HB3  ALA  10           HB3      ALA  10  13.011   8.264   7.833
   79    H    ALA  11           H        ALA  11  10.361   5.411   8.966
   80    HA   ALA  11           HA       ALA  11  10.483   5.223  11.846
   81    HB1  ALA  11           HB1      ALA  11   8.158   4.559  11.717
   82    HB2  ALA  11           HB2      ALA  11   8.439   5.974  10.702
   83    HB3  ALA  11           HB3      ALA  11   8.281   4.379   9.967
   84    H    HIS  12           H        HIS  12  11.614   3.305   9.442
   85    HA   HIS  12           HA       HIS  12  11.590   0.958  11.176
   86    HB2  HIS  12           HB2      HIS  12   9.702   0.880   9.399
   87    HB3  HIS  12           HB3      HIS  12  11.006   0.595   8.249
   88    HD1  HIS  12           HD1      HIS  12   9.284  -1.674   8.215
   89    HD2  HIS  12           HD2      HIS  12  12.073  -1.266  11.268
   90    HE1  HIS  12           HE1      HIS  12   9.602  -3.987   9.149
   91    HB2  I4G  13           HB2      I4G  13  15.786   1.849   9.196
   92    HB3  I4G  13           HB3      I4G  13  16.164   2.370  10.839
   93    HG   I4G  13           HG       I4G  13  17.282   0.223  10.413
   94   HD13  I4G  13          HD13      I4G  13  14.836  -0.202  12.220
   95   HD11  I4G  13          HD11      I4G  13  16.295  -1.210  12.220
   96   HD12  I4G  13          HD12      I4G  13  16.387   0.479  12.726
   97   HD23  I4G  13          HD23      I4G  13  15.814  -0.557   8.562
   98   HD22  I4G  13          HD22      I4G  13  14.507  -0.873   9.716
   99   HD21  I4G  13          HD21      I4G  13  16.006  -1.817   9.789
  100    HA2  I4G  13           HA2      I4G  13  12.848   2.347  12.086
  101    HA3  I4G  13           HA3      I4G  13  14.349   1.623  12.694
  102    H    VAL  14           H        VAL  14  13.983   3.512  14.085
  103    HA   VAL  14           HA       VAL  14  15.081   5.970  12.913
  104    HB   VAL  14           HB       VAL  14  14.039   5.724  15.721
  105   HG11  VAL  14          HG11      VAL  14  13.632   8.161  14.134
  106   HG12  VAL  14          HG12      VAL  14  14.188   7.966  15.798
  107   HG13  VAL  14          HG13      VAL  14  15.317   7.755  14.459
  108   HG21  VAL  14          HG21      VAL  14  12.525   5.635  13.210
  109   HG22  VAL  14          HG22      VAL  14  12.052   5.152  14.839
  110   HG23  VAL  14          HG23      VAL  14  11.968   6.848  14.364
  111    H    GLY  15           H        GLY  15  16.622   3.500  13.590
  112    HA2  GLY  15           HA2      GLY  15  18.121   3.804  15.926
  113    HA3  GLY  15           HA3      GLY  15  18.677   2.988  14.472
  114    H    ALA  16           H        ALA  16  18.809   5.025  12.657
  115    HA   ALA  16           HA       ALA  16  21.281   6.162  13.109
  116    HB1  ALA  16           HB1      ALA  16  19.948   7.951  11.417
  117    HB2  ALA  16           HB2      ALA  16  20.964   6.586  10.953
  118    HB3  ALA  16           HB3      ALA  16  19.221   6.372  11.118
  119    H    ILE  17           H        ILE  17  18.311   8.126  12.970
  120    HA   ILE  17           HA       ILE  17  19.331  10.396  14.159
  121    HB   ILE  17           HB       ILE  17  16.502   9.363  14.389
  122   HG12  ILE  17          HG12      ILE  17  17.649  11.326  12.398
  123   HG13  ILE  17          HG13      ILE  17  17.436   9.612  12.059
  124   HG21  ILE  17          HG21      ILE  17  17.812  11.881  15.202
  125   HG22  ILE  17          HG22      ILE  17  16.249  12.030  14.400
  126   HG23  ILE  17          HG23      ILE  17  16.397  11.069  15.871
  127   HD11  ILE  17          HD11      ILE  17  15.636  11.394  11.363
  128   HD12  ILE  17          HD12      ILE  17  15.172   9.783  11.913
  129   HD13  ILE  17          HD13      ILE  17  15.090  11.152  13.022
  130    H    ALA  18           H        ALA  18  18.113   7.474  15.667
  131    HA   ALA  18           HA       ALA  18  17.874   8.433  18.301
  132    HB1  ALA  18           HB1      ALA  18  18.487   5.642  17.335
  133    HB2  ALA  18           HB2      ALA  18  17.972   6.072  18.966
  134    HB3  ALA  18           HB3      ALA  18  16.884   6.328  17.602
  135    H    GLU  19           H        GLU  19  20.590   6.944  16.576
  136    HA   GLU  19           HA       GLU  19  22.364   6.737  18.723
  137    HB2  GLU  19           HB2      GLU  19  22.452   6.184  16.018
  138    HB3  GLU  19           HB3      GLU  19  23.649   7.459  16.200
  139    HG2  GLU  19           HG2      GLU  19  23.815   5.353  18.223
  140    HG3  GLU  19           HG3      GLU  19  24.116   4.811  16.573
  141    H    HIS  20           H        HIS  20  21.270   9.493  16.979
  142    HA   HIS  20           HA       HIS  20  23.473  11.169  17.885
  143    HB2  HIS  20           HB2      HIS  20  21.081  11.654  16.120
  144    HB3  HIS  20           HB3      HIS  20  22.093  12.977  16.693
  145    HD1  HIS  20           HD1      HIS  20  24.803  11.285  16.369
  146    HD2  HIS  20           HD2      HIS  20  21.893  11.925  13.474
  147    HE1  HIS  20           HE1      HIS  20  25.972  10.983  14.163
  148    H    PHE  21           H        PHE  21  20.097  10.552  18.578
  149    HA   PHE  21           HA       PHE  21  20.223  12.531  20.758
  150    HB2  PHE  21           HB2      PHE  21  17.862  11.521  19.168
  151    HB3  PHE  21           HB3      PHE  21  17.698  12.470  20.643
  152    HD1  PHE  21           HD1      PHE  21  18.342  14.817  20.691
  153    HD2  PHE  21           HD2      PHE  21  18.584  12.525  17.113
  154    HE1  PHE  21           HE1      PHE  21  18.536  16.890  19.380
  155    HE2  PHE  21           HE2      PHE  21  18.778  14.594  15.796
  156    HZ   PHE  21           HZ       PHE  21  18.755  16.780  16.930
  157    HN1  NH2  22           HN1      NH2  22  21.517  10.003  21.172
  158    HN2  NH2  22           HN2      NH2  22  20.551   9.024  22.318
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1   4.432  -0.240   0.194
    2    HA2  GLY   1           HA2      GLY   1   1.972   0.995  -0.040
    3    HA3  GLY   1           HA3      GLY   1   2.268   0.861   1.687
    4    H    LEU   2           H        LEU   2   2.252   3.101  -0.469
    5    HA   LEU   2           HA       LEU   2   4.757   4.240  -0.724
    6    HB2  LEU   2           HB2      LEU   2   1.985   5.177  -0.828
    7    HB3  LEU   2           HB3      LEU   2   3.151   6.428  -0.400
    8    HG   LEU   2           HG       LEU   2   4.146   4.997  -2.657
    9   HD11  LEU   2          HD11      LEU   2   1.700   4.426  -2.918
   10   HD12  LEU   2          HD12      LEU   2   2.447   5.270  -4.274
   11   HD13  LEU   2          HD13      LEU   2   1.413   6.151  -3.150
   12   HD21  LEU   2          HD21      LEU   2   4.212   7.517  -1.714
   13   HD22  LEU   2          HD22      LEU   2   3.006   7.697  -2.989
   14   HD23  LEU   2          HD23      LEU   2   4.614   7.084  -3.376
   15    H    PHE   3           H        PHE   3   2.477   4.465   1.966
   16    HA   PHE   3           HA       PHE   3   3.759   6.412   3.482
   17    HB2  PHE   3           HB2      PHE   3   1.624   4.582   3.844
   18    HB3  PHE   3           HB3      PHE   3   2.698   4.402   5.227
   19    HD1  PHE   3           HD1      PHE   3   0.491   6.687   3.408
   20    HD2  PHE   3           HD2      PHE   3   2.984   6.178   6.819
   21    HE1  PHE   3           HE1      PHE   3  -0.481   8.711   4.416
   22    HE2  PHE   3           HE2      PHE   3   2.016   8.199   7.833
   23    HZ   PHE   3           HZ       PHE   3   0.280   9.468   6.632
   24    H    GLY   4           H        GLY   4   4.313   2.920   3.338
   25    HA2  GLY   4           HA2      GLY   4   6.196   2.794   5.442
   26    HA3  GLY   4           HA3      GLY   4   6.016   1.612   4.154
   27    H    VAL   5           H        VAL   5   6.480   3.777   2.125
   28    HA   VAL   5           HA       VAL   5   9.332   3.468   1.985
   29    HB   VAL   5           HB       VAL   5   7.588   5.165   0.200
   30   HG11  VAL   5          HG11      VAL   5   9.335   4.925  -1.420
   31   HG12  VAL   5          HG12      VAL   5  10.060   5.489   0.087
   32   HG13  VAL   5          HG13      VAL   5  10.208   3.795  -0.385
   33   HG21  VAL   5          HG21      VAL   5   7.798   2.260   0.464
   34   HG22  VAL   5          HG22      VAL   5   6.564   3.241  -0.327
   35   HG23  VAL   5          HG23      VAL   5   8.059   2.851  -1.177
   36    H    LEU   6           H        LEU   6   7.164   6.296   2.139
   37    HA   LEU   6           HA       LEU   6   9.120   8.259   2.339
   38    HB2  LEU   6           HB2      LEU   6   6.348   8.154   2.425
   39    HB3  LEU   6           HB3      LEU   6   6.804   8.845   3.981
   40    HG   LEU   6           HG       LEU   6   7.653   9.938   1.300
   41   HD11  LEU   6          HD11      LEU   6   5.381  10.379   1.345
   42   HD12  LEU   6          HD12      LEU   6   6.068  11.823   2.089
   43   HD13  LEU   6          HD13      LEU   6   5.348  10.569   3.098
   44   HD21  LEU   6          HD21      LEU   6   9.251  10.759   2.702
   45   HD22  LEU   6          HD22      LEU   6   8.218  10.652   4.127
   46   HD23  LEU   6          HD23      LEU   6   7.992  11.964   2.970
   47    H    ALA   7           H        ALA   7   7.897   6.053   4.734
   48    HA   ALA   7           HA       ALA   7   9.157   7.479   6.931
   49    HB1  ALA   7           HB1      ALA   7   7.989   6.114   8.355
   50    HB2  ALA   7           HB2      ALA   7   6.925   6.098   6.949
   51    HB3  ALA   7           HB3      ALA   7   8.017   4.745   7.243
   52    H    LYS   8           H        LYS   8   9.827   4.852   4.779
   53    HA   LYS   8           HA       LYS   8  11.690   3.396   6.259
   54    HB2  LYS   8           HB2      LYS   8  10.779   3.485   3.569
   55    HB3  LYS   8           HB3      LYS   8  12.537   3.520   3.530
   56    HG2  LYS   8           HG2      LYS   8  12.403   1.533   5.155
   57    HG3  LYS   8           HG3      LYS   8  10.721   1.413   4.633
   58    HD2  LYS   8           HD2      LYS   8  11.722   0.010   3.121
   59    HD3  LYS   8           HD3      LYS   8  11.804   1.536   2.236
   60    HE2  LYS   8           HE2      LYS   8  14.107   1.746   3.504
   61    HE3  LYS   8           HE3      LYS   8  13.967  -0.009   3.579
   62    HZ1  LYS   8           HZ1      LYS   8  13.578   1.383   1.016
   63    HZ2  LYS   8           HZ2      LYS   8  14.083  -0.205   1.302
   64    HZ3  LYS   8           HZ3      LYS   8  15.145   1.083   1.578
   65    H    VAL   9           H        VAL   9  11.945   6.493   4.724
   66    HA   VAL   9           HA       VAL   9  14.738   6.674   4.463
   67    HB   VAL   9           HB       VAL   9  12.870   8.964   5.077
   68   HG11  VAL   9          HG11      VAL   9  14.564  10.152   3.574
   69   HG12  VAL   9          HG12      VAL   9  15.075   9.744   5.213
   70   HG13  VAL   9          HG13      VAL   9  15.603   8.755   3.852
   71   HG21  VAL   9          HG21      VAL   9  13.432   7.532   2.494
   72   HG22  VAL   9          HG22      VAL   9  11.871   7.862   3.246
   73   HG23  VAL   9          HG23      VAL   9  12.810   9.182   2.546
   74    H    ALA  10           H        ALA  10  12.576   7.465   7.151
   75    HA   ALA  10           HA       ALA  10  14.418   8.678   8.852
   76    HB1  ALA  10           HB1      ALA  10  11.853   7.223   9.261
   77    HB2  ALA  10           HB2      ALA  10  12.842   7.616  10.667
   78    HB3  ALA  10           HB3      ALA  10  12.267   8.902   9.606
   79    H    ALA  11           H        ALA  11  14.020   5.350   7.987
   80    HA   ALA  11           HA       ALA  11  15.793   4.484  10.156
   81    HB1  ALA  11           HB1      ALA  11  15.128   2.237   9.637
   82    HB2  ALA  11           HB2      ALA  11  13.680   3.238   9.755
   83    HB3  ALA  11           HB3      ALA  11  14.303   2.772   8.172
   84    H    HIS  12           H        HIS  12  15.693   5.022   6.738
   85    HA   HIS  12           HA       HIS  12  18.455   4.021   6.529
   86    HB2  HIS  12           HB2      HIS  12  16.820   2.574   5.318
   87    HB3  HIS  12           HB3      HIS  12  16.384   3.962   4.325
   88    HD1  HIS  12           HD1      HIS  12  17.298   1.891   2.597
   89    HD2  HIS  12           HD2      HIS  12  20.065   4.224   4.637
   90    HE1  HIS  12           HE1      HIS  12  19.451   1.651   1.320
   91    HB2  I4G  13           HB2      I4G  13  20.191   8.345   6.575
   92    HB3  I4G  13           HB3      I4G  13  19.915   7.877   4.896
   93    HG   I4G  13           HG       I4G  13  17.365   8.464   5.458
   94   HD13  I4G  13          HD13      I4G  13  18.881  10.146   7.533
   95   HD11  I4G  13          HD11      I4G  13  17.182  10.372   7.078
   96   HD12  I4G  13          HD12      I4G  13  17.688   8.890   7.894
   97   HD23  I4G  13          HD23      I4G  13  18.771   9.626   3.768
   98   HD22  I4G  13          HD22      I4G  13  19.498  10.623   5.039
   99   HD21  I4G  13          HD21      I4G  13  17.773  10.783   4.660
  100    HA2  I4G  13           HA2      I4G  13  19.933   5.087   7.362
  101    HA3  I4G  13           HA3      I4G  13  20.519   6.720   7.730
  102    H    VAL  14           H        VAL  14  20.163   5.075   9.706
  103    HA   VAL  14           HA       VAL  14  17.558   5.675  10.907
  104    HB   VAL  14           HB       VAL  14  18.547   3.336  10.981
  105   HG11  VAL  14          HG11      VAL  14  20.124   4.043  13.357
  106   HG12  VAL  14          HG12      VAL  14  20.451   2.867  12.083
  107   HG13  VAL  14          HG13      VAL  14  20.808   4.574  11.821
  108   HG21  VAL  14          HG21      VAL  14  17.240   4.878  13.053
  109   HG22  VAL  14          HG22      VAL  14  16.917   3.236  12.498
  110   HG23  VAL  14          HG23      VAL  14  18.154   3.525  13.721
  111    H    GLY  15           H        GLY  15  20.292   7.299  10.582
  112    HA2  GLY  15           HA2      GLY  15  21.263   7.960  13.090
  113    HA3  GLY  15           HA3      GLY  15  21.231   9.060  11.720
  114    H    ALA  16           H        ALA  16  18.459   9.310  11.396
  115    HA   ALA  16           HA       ALA  16  17.868  11.371  13.185
  116    HB1  ALA  16           HB1      ALA  16  16.217  11.749  11.749
  117    HB2  ALA  16           HB2      ALA  16  16.711  10.293  10.884
  118    HB3  ALA  16           HB3      ALA  16  15.462  10.199  12.125
  119    H    ILE  17           H        ILE  17  16.261   8.186  13.001
  120    HA   ILE  17           HA       ILE  17  14.833   8.421  15.387
  121    HB   ILE  17           HB       ILE  17  15.864   5.861  14.161
  122   HG12  ILE  17          HG12      ILE  17  13.293   7.372  13.645
  123   HG13  ILE  17          HG13      ILE  17  14.639   7.218  12.522
  124   HG21  ILE  17          HG21      ILE  17  15.025   5.583  16.431
  125   HG22  ILE  17          HG22      ILE  17  13.521   6.387  15.985
  126   HG23  ILE  17          HG23      ILE  17  13.936   4.832  15.265
  127   HD11  ILE  17          HD11      ILE  17  12.898   4.982  13.529
  128   HD12  ILE  17          HD12      ILE  17  12.855   5.708  11.922
  129   HD13  ILE  17          HD13      ILE  17  14.273   4.797  12.441
  130    H    ALA  18           H        ALA  18  18.101   7.272  14.770
  131    HA   ALA  18           HA       ALA  18  18.662   6.091  17.230
  132    HB1  ALA  18           HB1      ALA  18  20.406   5.664  15.883
  133    HB2  ALA  18           HB2      ALA  18  20.227   7.181  15.000
  134    HB3  ALA  18           HB3      ALA  18  21.063   7.158  16.553
  135    H    GLU  19           H        GLU  19  19.061   9.472  16.207
  136    HA   GLU  19           HA       GLU  19  20.205  10.447  18.561
  137    HB2  GLU  19           HB2      GLU  19  19.437  11.523  16.135
  138    HB3  GLU  19           HB3      GLU  19  18.368  12.324  17.279
  139    HG2  GLU  19           HG2      GLU  19  21.127  12.242  18.186
  140    HG3  GLU  19           HG3      GLU  19  20.932  13.078  16.647
  141    H    HIS  20           H        HIS  20  16.977   9.478  17.872
  142    HA   HIS  20           HA       HIS  20  15.731  10.975  19.981
  143    HB2  HIS  20           HB2      HIS  20  14.812   9.625  17.758
  144    HB3  HIS  20           HB3      HIS  20  14.314   8.577  19.082
  145    HD1  HIS  20           HD1      HIS  20  13.782  11.018  21.086
  146    HD2  HIS  20           HD2      HIS  20  12.248  10.563  17.252
  147    HE1  HIS  20           HE1      HIS  20  11.688  12.410  21.030
  148    H    PHE  21           H        PHE  21  16.714   7.593  19.531
  149    HA   PHE  21           HA       PHE  21  16.060   6.984  22.299
  150    HB2  PHE  21           HB2      PHE  21  16.978   5.334  19.956
  151    HB3  PHE  21           HB3      PHE  21  16.973   4.677  21.589
  152    HD1  PHE  21           HD1      PHE  21  14.852   6.034  18.899
  153    HD2  PHE  21           HD2      PHE  21  14.961   3.999  22.636
  154    HE1  PHE  21           HE1      PHE  21  12.471   5.465  18.655
  155    HE2  PHE  21           HE2      PHE  21  12.580   3.426  22.397
  156    HZ   PHE  21           HZ       PHE  21  11.332   4.159  20.405
  157    HN1  NH2  22           HN1      NH2  22  18.482   8.795  21.023
  158    HN2  NH2  22           HN2      NH2  22  19.905   8.251  21.964
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1   6.280  -0.579   0.547
    2    HA2  GLY   1           HA2      GLY   1   4.279  -0.579  -1.128
    3    HA3  GLY   1           HA3      GLY   1   3.389  -0.128   0.318
    4    H    LEU   2           H        LEU   2   3.673   1.406  -2.102
    5    HA   LEU   2           HA       LEU   2   5.586   3.438  -1.915
    6    HB2  LEU   2           HB2      LEU   2   2.923   3.181  -3.229
    7    HB3  LEU   2           HB3      LEU   2   3.699   4.763  -3.169
    8    HG   LEU   2           HG       LEU   2   5.646   3.816  -4.358
    9   HD11  LEU   2          HD11      LEU   2   5.437   1.615  -5.416
   10   HD12  LEU   2          HD12      LEU   2   3.927   1.346  -4.546
   11   HD13  LEU   2          HD13      LEU   2   5.442   1.502  -3.656
   12   HD21  LEU   2          HD21      LEU   2   4.606   4.601  -6.151
   13   HD22  LEU   2          HD22      LEU   2   3.039   4.331  -5.387
   14   HD23  LEU   2          HD23      LEU   2   3.787   3.051  -6.344
   15    H    PHE   3           H        PHE   3   2.755   2.854  -0.072
   16    HA   PHE   3           HA       PHE   3   2.567   5.600   0.875
   17    HB2  PHE   3           HB2      PHE   3   0.420   4.803   0.744
   18    HB3  PHE   3           HB3      PHE   3   0.897   3.149   1.114
   19    HD1  PHE   3           HD2      PHE   3  -0.022   6.401   2.508
   20    HD2  PHE   3           HD1      PHE   3   1.081   2.386   3.393
   21    HE1  PHE   3           HE2      PHE   3  -0.776   6.709   4.830
   22    HE2  PHE   3           HE1      PHE   3   0.328   2.688   5.716
   23    HZ   PHE   3           HZ       PHE   3  -0.601   4.852   6.438
   24    H    GLY   4           H        GLY   4   3.876   2.536   1.837
   25    HA2  GLY   4           HA2      GLY   4   4.286   3.414   4.591
   26    HA3  GLY   4           HA3      GLY   4   4.666   1.828   3.937
   27    H    VAL   5           H        VAL   5   5.988   3.378   1.617
   28    HA   VAL   5           HA       VAL   5   8.618   3.407   2.829
   29    HB   VAL   5           HB       VAL   5   7.778   3.890  -0.033
   30   HG11  VAL   5          HG11      VAL   5  10.149   3.577  -0.573
   31   HG12  VAL   5          HG12      VAL   5   9.897   4.980   0.467
   32   HG13  VAL   5          HG13      VAL   5  10.523   3.478   1.148
   33   HG21  VAL   5          HG21      VAL   5   7.900   1.680  -0.399
   34   HG22  VAL   5          HG22      VAL   5   9.304   1.483   0.650
   35   HG23  VAL   5          HG23      VAL   5   7.685   1.541   1.346
   36    H    LEU   6           H        LEU   6   6.230   5.685   1.769
   37    HA   LEU   6           HA       LEU   6   7.815   7.945   1.340
   38    HB2  LEU   6           HB2      LEU   6   5.097   7.355   1.408
   39    HB3  LEU   6           HB3      LEU   6   5.317   8.579   2.657
   40    HG   LEU   6           HG       LEU   6   6.136   8.881  -0.232
   41   HD11  LEU   6          HD11      LEU   6   3.688   8.776   0.100
   42   HD12  LEU   6          HD12      LEU   6   4.245  10.353  -0.459
   43   HD13  LEU   6          HD13      LEU   6   3.812  10.121   1.235
   44   HD21  LEU   6          HD21      LEU   6   6.177  10.764   2.119
   45   HD22  LEU   6          HD22      LEU   6   6.327  11.289   0.441
   46   HD23  LEU   6          HD23      LEU   6   7.543  10.221   1.144
   47    H    ALA   7           H        ALA   7   6.878   6.351   4.268
   48    HA   ALA   7           HA       ALA   7   7.558   8.589   5.972
   49    HB1  ALA   7           HB1      ALA   7   7.277   6.738   7.770
   50    HB2  ALA   7           HB2      ALA   7   5.858   7.336   6.909
   51    HB3  ALA   7           HB3      ALA   7   6.591   5.801   6.443
   52    H    LYS   8           H        LYS   8   9.115   5.804   4.634
   53    HA   LYS   8           HA       LYS   8  11.181   5.398   6.462
   54    HB2  LYS   8           HB2      LYS   8  10.511   4.510   3.849
   55    HB3  LYS   8           HB3      LYS   8  12.184   5.049   3.806
   56    HG2  LYS   8           HG2      LYS   8  11.112   3.115   5.844
   57    HG3  LYS   8           HG3      LYS   8  11.860   2.627   4.321
   58    HD2  LYS   8           HD2      LYS   8  13.913   3.809   4.966
   59    HD3  LYS   8           HD3      LYS   8  13.162   4.267   6.496
   60    HE2  LYS   8           HE2      LYS   8  13.523   2.251   7.405
   61    HE3  LYS   8           HE3      LYS   8  13.032   1.403   5.939
   62    HZ1  LYS   8           HZ1      LYS   8  15.307   2.218   5.065
   63    HZ2  LYS   8           HZ2      LYS   8  15.250   0.877   6.094
   64    HZ3  LYS   8           HZ3      LYS   8  15.696   2.391   6.702
   65    H    VAL   9           H        VAL   9  10.679   7.927   4.149
   66    HA   VAL   9           HA       VAL   9  13.296   8.849   3.800
   67    HB   VAL   9           HB       VAL   9  10.835  10.592   3.940
   68   HG11  VAL   9          HG11      VAL   9  12.066  11.994   2.347
   69   HG12  VAL   9          HG12      VAL   9  12.938  11.816   3.871
   70   HG13  VAL   9          HG13      VAL   9  13.442  10.896   2.452
   71   HG21  VAL   9          HG21      VAL   9  10.817  10.202   1.422
   72   HG22  VAL   9          HG22      VAL   9  11.859   8.815   1.741
   73   HG23  VAL   9          HG23      VAL   9  10.240   8.881   2.438
   74    H    ALA  10           H        ALA  10  10.909   9.586   6.307
   75    HA   ALA  10           HA       ALA  10  12.672  11.437   7.649
   76    HB1  ALA  10           HB1      ALA  10  10.698  12.183   8.343
   77    HB2  ALA  10           HB2      ALA  10   9.884  10.720   7.789
   78    HB3  ALA  10           HB3      ALA  10  10.605  10.772   9.397
   79    H    ALA  11           H        ALA  11  11.974   8.058   7.768
   80    HA   ALA  11           HA       ALA  11  13.013   7.649  10.424
   81    HB1  ALA  11           HB1      ALA  11  12.456   5.600   8.285
   82    HB2  ALA  11           HB2      ALA  11  12.673   5.302  10.010
   83    HB3  ALA  11           HB3      ALA  11  11.265   6.198   9.440
   84    H    HIS  12           H        HIS  12  14.278   7.779   7.213
   85    HA   HIS  12           HA       HIS  12  16.966   7.431   8.236
   86    HB2  HIS  12           HB2      HIS  12  15.947   5.142   7.473
   87    HB3  HIS  12           HB3      HIS  12  16.248   5.761   5.852
   88    HD1  HIS  12           HD1      HIS  12  17.829   3.420   6.211
   89    HD2  HIS  12           HD2      HIS  12  19.116   7.026   7.823
   90    HE1  HIS  12           HE1      HIS  12  20.304   3.151   6.569
   91    HB2  I4G  13           HB2      I4G  13  15.948  10.888   4.936
   92    HB3  I4G  13           HB3      I4G  13  16.762  11.769   6.230
   93    HG   I4G  13           HG       I4G  13  18.008   9.802   4.242
   94   HD13  I4G  13          HD13      I4G  13  18.631  12.733   4.915
   95   HD11  I4G  13          HD11      I4G  13  19.523  11.740   3.747
   96   HD12  I4G  13          HD12      I4G  13  17.833  12.158   3.445
   97   HD23  I4G  13          HD23      I4G  13  18.892   9.291   6.511
   98   HD22  I4G  13          HD22      I4G  13  19.314  10.995   6.744
   99   HD21  I4G  13          HD21      I4G  13  20.139  10.036   5.502
  100    HA2  I4G  13           HA2      I4G  13  16.052  11.300   8.006
  101    HA3  I4G  13           HA3      I4G  13  15.124   9.813   8.272
  102    H    VAL  14           H        VAL  14  15.687  10.285  10.446
  103    HA   VAL  14           HA       VAL  14  18.140   8.856  11.155
  104    HB   VAL  14           HB       VAL  14  17.381  11.331  12.681
  105   HG11  VAL  14          HG11      VAL  14  20.172  10.441  12.483
  106   HG12  VAL  14          HG12      VAL  14  19.239  10.955  13.890
  107   HG13  VAL  14          HG13      VAL  14  19.084   9.306  13.282
  108   HG21  VAL  14          HG21      VAL  14  19.285  11.151  10.349
  109   HG22  VAL  14          HG22      VAL  14  17.783  12.073  10.411
  110   HG23  VAL  14          HG23      VAL  14  19.142  12.532  11.437
  111    H    GLY  15           H        GLY  15  15.208   8.303  11.159
  112    HA2  GLY  15           HA2      GLY  15  14.126   8.379  13.734
  113    HA3  GLY  15           HA3      GLY  15  13.701   7.206  12.496
  114    H    ALA  16           H        ALA  16  16.021   5.801  12.180
  115    HA   ALA  16           HA       ALA  16  15.931   3.905  14.182
  116    HB1  ALA  16           HB1      ALA  16  18.095   4.587  12.211
  117    HB2  ALA  16           HB2      ALA  16  18.221   3.218  13.316
  118    HB3  ALA  16           HB3      ALA  16  16.911   3.281  12.137
  119    H    ILE  17           H        ILE  17  18.786   5.981  13.692
  120    HA   ILE  17           HA       ILE  17  19.972   5.538  16.143
  121    HB   ILE  17           HB       ILE  17  20.058   8.095  14.538
  122   HG12  ILE  17          HG12      ILE  17  22.078   5.858  14.521
  123   HG13  ILE  17          HG13      ILE  17  20.713   5.885  13.410
  124   HG21  ILE  17          HG21      ILE  17  21.503   7.157  16.945
  125   HG22  ILE  17          HG22      ILE  17  22.446   7.999  15.716
  126   HG23  ILE  17          HG23      ILE  17  21.055   8.791  16.455
  127   HD11  ILE  17          HD11      ILE  17  23.063   6.870  12.754
  128   HD12  ILE  17          HD12      ILE  17  21.561   7.609  12.196
  129   HD13  ILE  17          HD13      ILE  17  22.427   8.299  13.569
  130    H    ALA  18           H        ALA  18  17.389   7.756  15.311
  131    HA   ALA  18           HA       ALA  18  17.423   9.350  17.622
  132    HB1  ALA  18           HB1      ALA  18  16.091  10.266  16.010
  133    HB2  ALA  18           HB2      ALA  18  15.406   8.711  15.534
  134    HB3  ALA  18           HB3      ALA  18  14.859   9.500  17.014
  135    H    GLU  19           H        GLU  19  15.383   6.520  16.867
  136    HA   GLU  19           HA       GLU  19  14.121   6.346  19.352
  137    HB2  GLU  19           HB2      GLU  19  14.015   4.947  16.973
  138    HB3  GLU  19           HB3      GLU  19  14.631   3.752  18.105
  139    HG2  GLU  19           HG2      GLU  19  12.522   5.023  19.427
  140    HG3  GLU  19           HG3      GLU  19  11.963   4.753  17.777
  141    H    HIS  20           H        HIS  20  17.319   5.510  18.401
  142    HA   HIS  20           HA       HIS  20  17.903   3.561  20.357
  143    HB2  HIS  20           HB2      HIS  20  19.276   4.798  18.257
  144    HB3  HIS  20           HB3      HIS  20  20.191   5.217  19.703
  145    HD1  HIS  20           HD1      HIS  20  19.634   2.464  21.186
  146    HD2  HIS  20           HD2      HIS  20  21.073   2.924  17.316
  147    HE1  HIS  20           HE1      HIS  20  20.860   0.330  20.667
  148    H    PHE  21           H        PHE  21  18.613   7.055  20.294
  149    HA   PHE  21           HA       PHE  21  19.599   7.136  22.949
  150    HB2  PHE  21           HB2      PHE  21  18.690   9.226  20.991
  151    HB3  PHE  21           HB3      PHE  21  19.102   9.667  22.645
  152    HD1  PHE  21           HD2      PHE  21  20.410   8.252  19.506
  153    HD2  PHE  21           HD1      PHE  21  21.355   9.775  23.367
  154    HE1  PHE  21           HE2      PHE  21  22.788   8.348  18.882
  155    HE2  PHE  21           HE1      PHE  21  23.735   9.874  22.749
  156    HZ   PHE  21           HZ       PHE  21  24.454   9.159  20.505
  157    HN1  NH2  22           HN1      NH2  22  16.552   8.765  21.580
  158    HN2  NH2  22           HN2      NH2  22  15.537   8.537  23.037
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1   1.594   4.998   0.067
    2    HA2  GLY   1           HA2      GLY   1   2.272   5.102  -2.201
    3    HA3  GLY   1           HA3      GLY   1   1.801   6.795  -2.238
    4    H    LEU   2           H        LEU   2   3.708   7.602  -3.030
    5    HA   LEU   2           HA       LEU   2   6.276   6.883  -2.164
    6    HB2  LEU   2           HB2      LEU   2   5.090   8.840  -3.902
    7    HB3  LEU   2           HB3      LEU   2   6.379   9.575  -2.951
    8    HG   LEU   2           HG       LEU   2   7.477   7.197  -3.889
    9   HD11  LEU   2          HD11      LEU   2   5.956   6.693  -5.538
   10   HD12  LEU   2          HD12      LEU   2   7.107   7.696  -6.422
   11   HD13  LEU   2          HD13      LEU   2   5.583   8.386  -5.864
   12   HD21  LEU   2          HD21      LEU   2   7.891   9.699  -5.427
   13   HD22  LEU   2          HD22      LEU   2   9.069   8.579  -4.742
   14   HD23  LEU   2          HD23      LEU   2   8.240   9.735  -3.699
   15    H    PHE   3           H        PHE   3   3.864   8.791  -0.676
   16    HA   PHE   3           HA       PHE   3   5.758  10.179   1.053
   17    HB2  PHE   3           HB2      PHE   3   4.084  11.679   0.592
   18    HB3  PHE   3           HB3      PHE   3   2.853  10.428   0.459
   19    HD1  PHE   3           HD2      PHE   3   4.677  12.625   2.741
   20    HD2  PHE   3           HD1      PHE   3   1.667   9.634   2.403
   21    HE1  PHE   3           HE2      PHE   3   3.898  13.157   5.013
   22    HE2  PHE   3           HE1      PHE   3   0.883  10.162   4.675
   23    HZ   PHE   3           HZ       PHE   3   1.999  11.925   5.983
   24    H    GLY   4           H        GLY   4   3.456   7.548   1.121
   25    HA2  GLY   4           HA2      GLY   4   3.642   7.254   4.006
   26    HA3  GLY   4           HA3      GLY   4   2.707   6.247   2.912
   27    H    VAL   5           H        VAL   5   5.303   6.096   1.244
   28    HA   VAL   5           HA       VAL   5   6.294   3.714   2.595
   29    HB   VAL   5           HB       VAL   5   6.931   4.814  -0.147
   30   HG11  VAL   5          HG11      VAL   5   8.625   3.384  -0.219
   31   HG12  VAL   5          HG12      VAL   5   8.277   2.860   1.430
   32   HG13  VAL   5          HG13      VAL   5   7.503   2.053   0.065
   33   HG21  VAL   5          HG21      VAL   5   4.602   3.660   0.682
   34   HG22  VAL   5          HG22      VAL   5   5.208   3.637  -0.974
   35   HG23  VAL   5          HG23      VAL   5   5.508   2.266   0.094
   36    H    LEU   6           H        LEU   6   7.418   6.883   1.553
   37    HA   LEU   6           HA       LEU   6  10.146   6.616   1.902
   38    HB2  LEU   6           HB2      LEU   6   8.383   8.690   1.417
   39    HB3  LEU   6           HB3      LEU   6   9.145   9.140   2.942
   40    HG   LEU   6           HG       LEU   6  10.561   8.574   0.337
   41   HD11  LEU   6          HD11      LEU   6   9.580  10.679   0.116
   42   HD12  LEU   6          HD12      LEU   6  11.210  11.027   0.692
   43   HD13  LEU   6          HD13      LEU   6   9.848  11.087   1.811
   44   HD21  LEU   6          HD21      LEU   6  11.974   7.853   2.112
   45   HD22  LEU   6          HD22      LEU   6  11.600   9.283   3.074
   46   HD23  LEU   6          HD23      LEU   6  12.550   9.438   1.596
   47    H    ALA   7           H        ALA   7   7.626   6.961   4.304
   48    HA   ALA   7           HA       ALA   7   9.331   7.539   6.505
   49    HB1  ALA   7           HB1      ALA   7   6.593   6.281   6.583
   50    HB2  ALA   7           HB2      ALA   7   7.412   7.140   7.889
   51    HB3  ALA   7           HB3      ALA   7   6.891   8.014   6.448
   52    H    LYS   8           H        LYS   8   8.160   4.581   5.024
   53    HA   LYS   8           HA       LYS   8   8.782   2.759   7.042
   54    HB2  LYS   8           HB2      LYS   8   7.978   2.655   4.320
   55    HB3  LYS   8           HB3      LYS   8   9.365   1.590   4.499
   56    HG2  LYS   8           HG2      LYS   8   6.944   1.479   6.278
   57    HG3  LYS   8           HG3      LYS   8   7.140   0.502   4.821
   58    HD2  LYS   8           HD2      LYS   8   9.329  -0.299   5.842
   59    HD3  LYS   8           HD3      LYS   8   8.774   0.437   7.347
   60    HE2  LYS   8           HE2      LYS   8   6.589  -1.005   6.626
   61    HE3  LYS   8           HE3      LYS   8   7.887  -2.019   5.996
   62    HZ1  LYS   8           HZ1      LYS   8   7.234  -1.341   8.763
   63    HZ2  LYS   8           HZ2      LYS   8   8.868  -1.545   8.377
   64    HZ3  LYS   8           HZ3      LYS   8   7.772  -2.805   8.107
   65    H    VAL   9           H        VAL   9  10.826   4.423   4.770
   66    HA   VAL   9           HA       VAL   9  13.102   2.758   4.959
   67    HB   VAL   9           HB       VAL   9  13.103   5.729   4.429
   68   HG11  VAL   9          HG11      VAL   9  15.318   5.217   4.570
   69   HG12  VAL   9          HG12      VAL   9  15.072   3.529   4.116
   70   HG13  VAL   9          HG13      VAL   9  15.040   4.789   2.882
   71   HG21  VAL   9          HG21      VAL   9  11.499   4.741   2.944
   72   HG22  VAL   9          HG22      VAL   9  12.967   5.081   2.027
   73   HG23  VAL   9          HG23      VAL   9  12.610   3.432   2.540
   74    H    ALA  10           H        ALA  10  12.072   5.618   6.775
   75    HA   ALA  10           HA       ALA  10  14.410   5.859   8.346
   76    HB1  ALA  10           HB1      ALA  10  12.728   7.086   9.919
   77    HB2  ALA  10           HB2      ALA  10  13.140   7.780   8.350
   78    HB3  ALA  10           HB3      ALA  10  11.622   6.905   8.557
   79    H    ALA  11           H        ALA  11  11.679   3.756   8.518
   80    HA   ALA  11           HA       ALA  11  12.123   3.039  11.292
   81    HB1  ALA  11           HB1      ALA  11  10.270   1.780   9.274
   82    HB2  ALA  11           HB2      ALA  11  10.251   1.537  11.021
   83    HB3  ALA  11           HB3      ALA  11   9.845   3.115  10.346
   84    H    HIS  12           H        HIS  12  13.685   2.342   8.500
   85    HA   HIS  12           HA       HIS  12  14.628  -0.231   9.557
   86    HB2  HIS  12           HB2      HIS  12  13.004  -0.358   7.517
   87    HB3  HIS  12           HB3      HIS  12  14.401   0.187   6.594
   88    HD1  HIS  12           HD1      HIS  12  13.655  -2.576   9.111
   89    HD2  HIS  12           HD2      HIS  12  15.865  -1.877   5.663
   90    HE1  HIS  12           HE1      HIS  12  14.747  -4.773   8.554
   91    HB2  I4G  13           HB2      I4G  13  18.323   2.735  10.457
   92    HB3  I4G  13           HB3      I4G  13  18.789   1.339   9.484
   93    HG   I4G  13           HG       I4G  13  18.041   2.505   7.409
   94   HD13  I4G  13          HD13      I4G  13  17.385   4.857   9.271
   95   HD11  I4G  13          HD11      I4G  13  17.378   4.924   7.499
   96   HD12  I4G  13          HD12      I4G  13  16.208   3.910   8.350
   97   HD23  I4G  13          HD23      I4G  13  20.389   2.800   8.176
   98   HD22  I4G  13          HD22      I4G  13  19.914   4.216   9.126
   99   HD21  I4G  13          HD21      I4G  13  19.806   4.255   7.357
  100    HA2  I4G  13           HA2      I4G  13  15.136   1.264  11.005
  101    HA3  I4G  13           HA3      I4G  13  16.752   0.909  11.645
  102    H    VAL  14           H        VAL  14  15.920   2.000  13.467
  103    HA   VAL  14           HA       VAL  14  15.984   4.930  13.211
  104    HB   VAL  14           HB       VAL  14  15.101   3.455  15.676
  105   HG11  VAL  14          HG11      VAL  14  13.852   5.983  14.833
  106   HG12  VAL  14          HG12      VAL  14  14.399   5.460  16.427
  107   HG13  VAL  14          HG13      VAL  14  15.561   6.085  15.256
  108   HG21  VAL  14          HG21      VAL  14  12.782   3.646  14.852
  109   HG22  VAL  14          HG22      VAL  14  13.402   4.179  13.289
  110   HG23  VAL  14          HG23      VAL  14  13.761   2.553  13.872
  111    H    GLY  15           H        GLY  15  18.320   3.076  13.286
  112    HA2  GLY  15           HA2      GLY  15  19.594   3.142  15.786
  113    HA3  GLY  15           HA3      GLY  15  20.408   3.007  14.234
  114    H    ALA  16           H        ALA  16  20.535   5.143  12.995
  115    HA   ALA  16           HA       ALA  16  21.987   6.988  14.556
  116    HB1  ALA  16           HB1      ALA  16  22.248   6.545  12.085
  117    HB2  ALA  16           HB2      ALA  16  20.821   7.554  11.841
  118    HB3  ALA  16           HB3      ALA  16  22.272   8.241  12.570
  119    H    ILE  17           H        ILE  17  18.739   7.164  13.121
  120    HA   ILE  17           HA       ILE  17  18.052   9.743  13.816
  121    HB   ILE  17           HB       ILE  17  16.238   7.328  13.845
  122   HG12  ILE  17          HG12      ILE  17  16.719   9.322  11.625
  123   HG13  ILE  17          HG13      ILE  17  17.515   7.754  11.718
  124   HG21  ILE  17          HG21      ILE  17  14.984   8.958  14.896
  125   HG22  ILE  17          HG22      ILE  17  15.724  10.267  13.976
  126   HG23  ILE  17          HG23      ILE  17  14.552   9.200  13.203
  127   HD11  ILE  17          HD11      ILE  17  14.667   8.402  11.144
  128   HD12  ILE  17          HD12      ILE  17  15.770   7.315  10.300
  129   HD13  ILE  17          HD13      ILE  17  15.082   6.843  11.854
  130    H    ALA  18           H        ALA  18  18.198   6.885  15.830
  131    HA   ALA  18           HA       ALA  18  16.761   7.898  18.044
  132    HB1  ALA  18           HB1      ALA  18  18.853   5.740  17.843
  133    HB2  ALA  18           HB2      ALA  18  17.949   6.099  19.315
  134    HB3  ALA  18           HB3      ALA  18  17.100   5.544  17.872
  135    H    GLU  19           H        GLU  19  20.277   7.602  17.507
  136    HA   GLU  19           HA       GLU  19  21.082   8.919  19.835
  137    HB2  GLU  19           HB2      GLU  19  22.353   7.717  17.697
  138    HB3  GLU  19           HB3      GLU  19  22.831   9.402  17.543
  139    HG2  GLU  19           HG2      GLU  19  23.019   8.339  20.262
  140    HG3  GLU  19           HG3      GLU  19  24.080   7.556  19.093
  141    H    HIS  20           H        HIS  20  19.761  10.151  16.907
  142    HA   HIS  20           HA       HIS  20  20.794  12.795  17.067
  143    HB2  HIS  20           HB2      HIS  20  18.733  11.384  15.483
  144    HB3  HIS  20           HB3      HIS  20  18.498  13.120  15.668
  145    HD1  HIS  20           HD1      HIS  20  21.183  14.300  15.316
  146    HD2  HIS  20           HD2      HIS  20  19.940  11.010  13.104
  147    HE1  HIS  20           HE1      HIS  20  22.630  14.287  13.260
  148    H    PHE  21           H        PHE  21  17.729  11.318  18.081
  149    HA   PHE  21           HA       PHE  21  16.822  13.785  19.287
  150    HB2  PHE  21           HB2      PHE  21  15.674  11.046  18.922
  151    HB3  PHE  21           HB3      PHE  21  14.977  12.110  20.139
  152    HD1  PHE  21           HD1      PHE  21  13.939  14.243  19.471
  153    HD2  PHE  21           HD2      PHE  21  15.317  11.415  16.604
  154    HE1  PHE  21           HE1      PHE  21  12.599  15.356  17.734
  155    HE2  PHE  21           HE2      PHE  21  13.980  12.524  14.862
  156    HZ   PHE  21           HZ       PHE  21  12.619  14.498  15.425
  157    HN1  NH2  22           HN1      NH2  22  18.865  11.051  20.166
  158    HN2  NH2  22           HN2      NH2  22  18.852  11.257  21.944
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1   1.652  -0.156  -1.849
    2    HA2  GLY   1           HA2      GLY   1   0.168   2.278  -2.626
    3    HA3  GLY   1           HA3      GLY   1   0.527   1.831  -0.964
    4    H    LEU   2           H        LEU   2   1.432   3.778  -3.490
    5    HA   LEU   2           HA       LEU   2   4.227   3.829  -3.338
    6    HB2  LEU   2           HB2      LEU   2   2.197   5.289  -4.630
    7    HB3  LEU   2           HB3      LEU   2   3.182   6.465  -3.763
    8    HG   LEU   2           HG       LEU   2   3.941   6.226  -6.055
    9   HD11  LEU   2          HD11      LEU   2   6.279   5.820  -5.632
   10   HD12  LEU   2          HD12      LEU   2   5.895   4.950  -4.147
   11   HD13  LEU   2          HD13      LEU   2   5.576   6.681  -4.262
   12   HD21  LEU   2          HD21      LEU   2   5.020   3.529  -5.758
   13   HD22  LEU   2          HD22      LEU   2   4.194   4.278  -7.125
   14   HD23  LEU   2          HD23      LEU   2   3.257   3.588  -5.798
   15    H    PHE   3           H        PHE   3   1.771   5.269  -1.307
   16    HA   PHE   3           HA       PHE   3   3.256   7.180   0.048
   17    HB2  PHE   3           HB2      PHE   3   0.711   6.038   0.297
   18    HB3  PHE   3           HB3      PHE   3   1.486   5.772   1.855
   19    HD1  PHE   3           HD1      PHE   3   0.349   8.307  -0.543
   20    HD2  PHE   3           HD2      PHE   3   1.974   7.590   3.325
   21    HE1  PHE   3           HE1      PHE   3  -0.145  10.632   0.091
   22    HE2  PHE   3           HE2      PHE   3   1.482   9.914   3.965
   23    HZ   PHE   3           HZ       PHE   3   0.421  11.438   2.348
   24    H    GLY   4           H        GLY   4   2.969   3.704   0.665
   25    HA2  GLY   4           HA2      GLY   4   4.530   3.711   3.040
   26    HA3  GLY   4           HA3      GLY   4   4.144   2.304   2.060
   27    H    VAL   5           H        VAL   5   5.350   3.735  -0.321
   28    HA   VAL   5           HA       VAL   5   8.016   2.708   0.050
   29    HB   VAL   5           HB       VAL   5   6.941   4.198  -2.344
   30   HG11  VAL   5          HG11      VAL   5   9.479   3.031  -1.690
   31   HG12  VAL   5          HG12      VAL   5   8.768   2.197  -3.073
   32   HG13  VAL   5          HG13      VAL   5   9.006   3.945  -3.122
   33   HG21  VAL   5          HG21      VAL   5   6.465   1.442  -1.389
   34   HG22  VAL   5          HG22      VAL   5   5.458   2.485  -2.393
   35   HG23  VAL   5          HG23      VAL   5   6.826   1.630  -3.105
   36    H    LEU   6           H        LEU   6   6.464   5.783   0.206
   37    HA   LEU   6           HA       LEU   6   8.966   7.252  -0.048
   38    HB2  LEU   6           HB2      LEU   6   7.418   8.565  -1.032
   39    HB3  LEU   6           HB3      LEU   6   6.096   7.910  -0.069
   40    HG   LEU   6           HG       LEU   6   6.794   9.340   1.815
   41   HD11  LEU   6          HD11      LEU   6   8.701  10.490   1.855
   42   HD12  LEU   6          HD12      LEU   6   8.459  11.111   0.223
   43   HD13  LEU   6          HD13      LEU   6   9.188   9.523   0.463
   44   HD21  LEU   6          HD21      LEU   6   5.785  11.277   1.011
   45   HD22  LEU   6          HD22      LEU   6   5.166  10.020  -0.060
   46   HD23  LEU   6          HD23      LEU   6   6.468  11.080  -0.604
   47    H    ALA   7           H        ALA   7   6.541   6.451   2.389
   48    HA   ALA   7           HA       ALA   7   7.741   7.988   4.471
   49    HB1  ALA   7           HB1      ALA   7   6.262   6.466   5.929
   50    HB2  ALA   7           HB2      ALA   7   5.476   7.568   4.798
   51    HB3  ALA   7           HB3      ALA   7   5.636   5.858   4.397
   52    H    LYS   8           H        LYS   8   8.284   4.838   3.155
   53    HA   LYS   8           HA       LYS   8   9.443   3.520   5.319
   54    HB2  LYS   8           HB2      LYS   8   9.178   3.094   2.524
   55    HB3  LYS   8           HB3      LYS   8  10.872   2.855   2.930
   56    HG2  LYS   8           HG2      LYS   8   8.608   1.513   4.385
   57    HG3  LYS   8           HG3      LYS   8   9.458   0.798   3.013
   58    HD2  LYS   8           HD2      LYS   8  11.419   0.526   4.201
   59    HD3  LYS   8           HD3      LYS   8  11.022   1.805   5.351
   60    HE2  LYS   8           HE2      LYS   8  10.228   0.286   6.762
   61    HE3  LYS   8           HE3      LYS   8   9.033  -0.206   5.563
   62    HZ1  LYS   8           HZ1      LYS   8  11.788  -1.230   5.400
   63    HZ2  LYS   8           HZ2      LYS   8  10.357  -1.918   4.817
   64    HZ3  LYS   8           HZ3      LYS   8  10.689  -1.936   6.476
   65    H    VAL   9           H        VAL   9  10.717   5.998   3.218
   66    HA   VAL   9           HA       VAL   9  13.457   5.666   3.894
   67    HB   VAL   9           HB       VAL   9  12.126   8.207   2.954
   68   HG11  VAL   9          HG11      VAL   9  14.403   8.496   3.766
   69   HG12  VAL   9          HG12      VAL   9  14.960   7.204   2.701
   70   HG13  VAL   9          HG13      VAL   9  14.334   8.704   2.016
   71   HG21  VAL   9          HG21      VAL   9  13.113   5.834   1.384
   72   HG22  VAL   9          HG22      VAL   9  11.485   6.511   1.408
   73   HG23  VAL   9          HG23      VAL   9  12.806   7.417   0.670
   74    H    ALA  10           H        ALA  10  10.868   7.735   5.140
   75    HA   ALA  10           HA       ALA  10  12.439   9.236   6.928
   76    HB1  ALA  10           HB1      ALA  10  10.004   9.213   8.128
   77    HB2  ALA  10           HB2      ALA  10  10.453  10.274   6.792
   78    HB3  ALA  10           HB3      ALA  10   9.577   8.777   6.473
   79    H    ALA  11           H        ALA  11  11.191   6.016   7.088
   80    HA   ALA  11           HA       ALA  11  11.376   5.754   9.942
   81    HB1  ALA  11           HB1      ALA  11  11.108   3.297   9.419
   82    HB2  ALA  11           HB2      ALA  11   9.802   4.351   8.873
   83    HB3  ALA  11           HB3      ALA  11  11.000   3.761   7.721
   84    H    HIS  12           H        HIS  12  13.561   5.516   7.299
   85    HA   HIS  12           HA       HIS  12  15.614   4.419   9.106
   86    HB2  HIS  12           HB2      HIS  12  14.831   2.935   7.140
   87    HB3  HIS  12           HB3      HIS  12  15.711   4.068   6.119
   88    HD1  HIS  12           HD1      HIS  12  16.897   1.496   5.813
   89    HD2  HIS  12           HD2      HIS  12  17.821   3.791   9.150
   90    HE1  HIS  12           HE1      HIS  12  19.074   0.580   6.677
   91    HB2  I4G  13           HB2      I4G  13  17.660   8.503   9.401
   92    HB3  I4G  13           HB3      I4G  13  17.453   8.341   7.657
   93    HG   I4G  13           HG       I4G  13  15.446   9.695   9.546
   94   HD13  I4G  13          HD13      I4G  13  17.395  10.926   7.516
   95   HD11  I4G  13          HD11      I4G  13  16.149  11.819   8.409
   96   HD12  I4G  13          HD12      I4G  13  17.501  11.082   9.275
   97   HD23  I4G  13          HD23      I4G  13  14.361   8.634   7.574
   98   HD22  I4G  13          HD22      I4G  13  15.469   9.488   6.489
   99   HD21  I4G  13          HD21      I4G  13  14.295  10.398   7.457
  100    HA2  I4G  13           HA2      I4G  13  14.454   7.639   9.958
  101    HA3  I4G  13           HA3      I4G  13  15.173   6.054  10.299
  102    H    VAL  14           H        VAL  14  14.386   8.491  11.853
  103    HA   VAL  14           HA       VAL  14  16.938   8.849  13.284
  104    HB   VAL  14           HB       VAL  14  14.550  10.638  13.637
  105   HG11  VAL  14          HG11      VAL  14  17.304  11.654  13.832
  106   HG12  VAL  14          HG12      VAL  14  15.910  11.936  14.877
  107   HG13  VAL  14          HG13      VAL  14  16.853  10.454  15.043
  108   HG21  VAL  14          HG21      VAL  14  15.577  12.182  12.008
  109   HG22  VAL  14          HG22      VAL  14  16.750  10.932  11.592
  110   HG23  VAL  14          HG23      VAL  14  15.035  10.676  11.266
  111    H    GLY  15           H        GLY  15  14.927   6.643  13.506
  112    HA2  GLY  15           HA2      GLY  15  13.544   6.989  15.983
  113    HA3  GLY  15           HA3      GLY  15  13.781   5.473  15.127
  114    H    ALA  16           H        ALA  16  16.100   4.624  15.239
  115    HA   ALA  16           HA       ALA  16  16.763   4.255  17.973
  116    HB1  ALA  16           HB1      ALA  16  17.944   3.364  15.381
  117    HB2  ALA  16           HB2      ALA  16  18.853   3.143  16.876
  118    HB3  ALA  16           HB3      ALA  16  17.261   2.405  16.695
  119    H    ILE  17           H        ILE  17  17.825   6.472  15.536
  120    HA   ILE  17           HA       ILE  17  20.357   7.171  16.371
  121    HB   ILE  17           HB       ILE  17  18.190   9.001  15.335
  122   HG12  ILE  17          HG12      ILE  17  18.729   7.182  13.800
  123   HG13  ILE  17          HG13      ILE  17  19.345   8.706  13.172
  124   HG21  ILE  17          HG21      ILE  17  19.575  10.685  15.756
  125   HG22  ILE  17          HG22      ILE  17  20.826   9.580  16.322
  126   HG23  ILE  17          HG23      ILE  17  20.709   9.975  14.608
  127   HD11  ILE  17          HD11      ILE  17  21.476   7.754  14.593
  128   HD12  ILE  17          HD12      ILE  17  20.762   6.282  13.932
  129   HD13  ILE  17          HD13      ILE  17  21.242   7.591  12.852
  130    H    ALA  18           H        ALA  18  17.250   8.108  17.735
  131    HA   ALA  18           HA       ALA  18  18.266  10.066  19.524
  132    HB1  ALA  18           HB1      ALA  18  16.094  10.009  20.559
  133    HB2  ALA  18           HB2      ALA  18  15.900   9.935  18.807
  134    HB3  ALA  18           HB3      ALA  18  15.719   8.473  19.777
  135    H    GLU  19           H        GLU  19  17.299   6.668  19.984
  136    HA   GLU  19           HA       GLU  19  17.901   6.487  22.705
  137    HB2  GLU  19           HB2      GLU  19  16.937   4.769  20.769
  138    HB3  GLU  19           HB3      GLU  19  18.479   4.046  21.205
  139    HG2  GLU  19           HG2      GLU  19  16.852   4.887  23.487
  140    HG3  GLU  19           HG3      GLU  19  16.129   3.620  22.498
  141    H    HIS  20           H        HIS  20  19.968   6.619  19.958
  142    HA   HIS  20           HA       HIS  20  22.255   5.464  21.296
  143    HB2  HIS  20           HB2      HIS  20  21.665   6.528  18.589
  144    HB3  HIS  20           HB3      HIS  20  23.339   6.626  19.127
  145    HD1  HIS  20           HD1      HIS  20  24.336   4.214  19.993
  146    HD2  HIS  20           HD2      HIS  20  21.006   4.133  17.510
  147    HE1  HIS  20           HE1      HIS  20  24.244   1.878  19.068
  148    H    PHE  21           H        PHE  21  21.106   8.680  20.400
  149    HA   PHE  21           HA       PHE  21  23.367  10.162  21.066
  150    HB2  PHE  21           HB2      PHE  21  20.549  10.694  20.578
  151    HB3  PHE  21           HB3      PHE  21  21.217  11.774  21.796
  152    HD1  PHE  21           HD1      PHE  21  21.560  10.611  18.315
  153    HD2  PHE  21           HD2      PHE  21  22.714  13.508  21.212
  154    HE1  PHE  21           HE1      PHE  21  22.561  11.986  16.537
  155    HE2  PHE  21           HE2      PHE  21  23.715  14.888  19.439
  156    HZ   PHE  21           HZ       PHE  21  23.639  14.128  17.098
  157    HN1  NH2  22           HN1      NH2  22  20.678   8.767  23.117
  158    HN2  NH2  22           HN2      NH2  22  21.358   9.221  24.710
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -1.670   1.169  -0.641
    2    HA2  GLY   1           HA2      GLY   1  -0.671   3.177  -2.040
    3    HA3  GLY   1           HA3      GLY   1  -0.908   3.357  -0.308
    4    H    LEU   2           H        LEU   2   1.212   4.062  -2.570
    5    HA   LEU   2           HA       LEU   2   3.656   3.026  -1.522
    6    HB2  LEU   2           HB2      LEU   2   2.970   5.202  -3.468
    7    HB3  LEU   2           HB3      LEU   2   4.631   4.933  -2.944
    8    HG   LEU   2           HG       LEU   2   3.406   2.478  -3.863
    9   HD11  LEU   2          HD11      LEU   2   2.068   3.938  -5.268
   10   HD12  LEU   2          HD12      LEU   2   3.270   3.083  -6.233
   11   HD13  LEU   2          HD13      LEU   2   3.521   4.776  -5.811
   12   HD21  LEU   2          HD21      LEU   2   5.445   2.185  -4.914
   13   HD22  LEU   2          HD22      LEU   2   5.873   3.218  -3.550
   14   HD23  LEU   2          HD23      LEU   2   5.686   3.914  -5.160
   15    H    PHE   3           H        PHE   3   1.730   5.883  -0.949
   16    HA   PHE   3           HA       PHE   3   3.559   7.556   0.277
   17    HB2  PHE   3           HB2      PHE   3   0.822   7.559  -0.099
   18    HB3  PHE   3           HB3      PHE   3   0.979   7.503   1.653
   19    HD1  PHE   3           HD2      PHE   3   2.667   9.276  -1.169
   20    HD2  PHE   3           HD1      PHE   3   0.876   9.539   2.683
   21    HE1  PHE   3           HE2      PHE   3   3.102  11.697  -1.136
   22    HE2  PHE   3           HE1      PHE   3   1.307  11.961   2.722
   23    HZ   PHE   3           HZ       PHE   3   2.423  13.043   0.811
   24    H    GLY   4           H        GLY   4   1.889   4.745   1.575
   25    HA2  GLY   4           HA2      GLY   4   2.771   5.178   4.274
   26    HA3  GLY   4           HA3      GLY   4   2.000   3.728   3.648
   27    H    VAL   5           H        VAL   5   4.048   3.540   1.483
   28    HA   VAL   5           HA       VAL   5   5.943   1.964   2.971
   29    HB   VAL   5           HB       VAL   5   5.982   2.567   0.014
   30   HG11  VAL   5          HG11      VAL   5   7.867   1.388   0.082
   31   HG12  VAL   5          HG12      VAL   5   7.621   0.976   1.780
   32   HG13  VAL   5          HG13      VAL   5   6.892  -0.015   0.516
   33   HG21  VAL   5          HG21      VAL   5   3.921   1.605   0.126
   34   HG22  VAL   5          HG22      VAL   5   4.903   0.141   0.077
   35   HG23  VAL   5          HG23      VAL   5   4.283   0.736   1.617
   36    H    LEU   6           H        LEU   6   5.878   5.089   1.435
   37    HA   LEU   6           HA       LEU   6   8.657   5.516   1.221
   38    HB2  LEU   6           HB2      LEU   6   6.324   6.932   0.639
   39    HB3  LEU   6           HB3      LEU   6   7.192   7.935   1.799
   40    HG   LEU   6           HG       LEU   6   8.196   6.979  -0.880
   41   HD11  LEU   6          HD11      LEU   6   6.920   8.777  -1.429
   42   HD12  LEU   6          HD12      LEU   6   8.404   9.619  -0.985
   43   HD13  LEU   6          HD13      LEU   6   7.071   9.516   0.165
   44   HD21  LEU   6          HD21      LEU   6  10.119   6.960   0.420
   45   HD22  LEU   6          HD22      LEU   6   9.581   8.312   1.416
   46   HD23  LEU   6          HD23      LEU   6  10.108   8.594  -0.243
   47    H    ALA   7           H        ALA   7   6.459   5.670   3.894
   48    HA   ALA   7           HA       ALA   7   7.951   7.337   5.612
   49    HB1  ALA   7           HB1      ALA   7   6.635   5.713   7.335
   50    HB2  ALA   7           HB2      ALA   7   5.915   7.111   6.535
   51    HB3  ALA   7           HB3      ALA   7   5.679   5.495   5.869
   52    H    LYS   8           H        LYS   8   8.101   3.902   4.906
   53    HA   LYS   8           HA       LYS   8   9.603   2.960   7.018
   54    HB2  LYS   8           HB2      LYS   8   9.574   1.087   5.803
   55    HB3  LYS   8           HB3      LYS   8   8.810   2.003   4.510
   56    HG2  LYS   8           HG2      LYS   8  11.025   2.542   3.601
   57    HG3  LYS   8           HG3      LYS   8  11.769   1.578   4.879
   58    HD2  LYS   8           HD2      LYS   8  11.513  -0.254   3.648
   59    HD3  LYS   8           HD3      LYS   8   9.766  -0.005   3.631
   60    HE2  LYS   8           HE2      LYS   8   9.979   1.434   1.678
   61    HE3  LYS   8           HE3      LYS   8  11.731   1.244   1.712
   62    HZ1  LYS   8           HZ1      LYS   8   9.677  -0.626   0.828
   63    HZ2  LYS   8           HZ2      LYS   8  11.021  -1.289   1.611
   64    HZ3  LYS   8           HZ3      LYS   8  11.231  -0.357   0.216
   65    H    VAL   9           H        VAL   9  10.615   4.898   4.289
   66    HA   VAL   9           HA       VAL   9  13.431   4.613   4.918
   67    HB   VAL   9           HB       VAL   9  12.162   6.516   2.949
   68   HG11  VAL   9          HG11      VAL   9  14.474   7.031   3.575
   69   HG12  VAL   9          HG12      VAL   9  14.957   5.395   3.123
   70   HG13  VAL   9          HG13      VAL   9  14.356   6.509   1.895
   71   HG21  VAL   9          HG21      VAL   9  12.727   3.609   2.782
   72   HG22  VAL   9          HG22      VAL   9  11.455   4.561   2.017
   73   HG23  VAL   9          HG23      VAL   9  13.093   4.594   1.365
   74    H    ALA  10           H        ALA  10  10.926   7.106   5.121
   75    HA   ALA  10           HA       ALA  10  12.437   9.269   5.934
   76    HB1  ALA  10           HB1      ALA  10  10.161   9.582   7.409
   77    HB2  ALA  10           HB2      ALA  10  10.340  10.021   5.710
   78    HB3  ALA  10           HB3      ALA  10   9.633   8.466   6.149
   79    H    ALA  11           H        ALA  11  11.424   6.466   7.767
   80    HA   ALA  11           HA       ALA  11  11.830   7.373  10.365
   81    HB1  ALA  11           HB1      ALA  11  12.693   4.720  10.358
   82    HB2  ALA  11           HB2      ALA  11  11.064   5.312  10.687
   83    HB3  ALA  11           HB3      ALA  11  11.513   4.829   9.051
   84    H    HIS  12           H        HIS  12  14.125   6.530   7.898
   85    HA   HIS  12           HA       HIS  12  16.297   7.332   9.689
   86    HB2  HIS  12           HB2      HIS  12  16.068   4.778   9.527
   87    HB3  HIS  12           HB3      HIS  12  16.624   4.957   7.866
   88    HD1  HIS  12           HD1      HIS  12  18.503   3.329   9.257
   89    HD2  HIS  12           HD2      HIS  12  18.619   7.455   9.735
   90    HE1  HIS  12           HE1      HIS  12  20.820   3.845  10.089
   91    HB2  I4G  13           HB2      I4G  13  17.699  10.608   6.886
   92    HB3  I4G  13           HB3      I4G  13  17.310   9.319   5.746
   93    HG   I4G  13           HG       I4G  13  14.815  10.569   6.482
   94   HD13  I4G  13          HD13      I4G  13  16.965  12.596   5.644
   95   HD11  I4G  13          HD11      I4G  13  15.221  12.917   5.696
   96   HD12  I4G  13          HD12      I4G  13  16.104  12.583   7.189
   97   HD23  I4G  13          HD23      I4G  13  15.318   9.431   4.328
   98   HD22  I4G  13          HD22      I4G  13  16.454  10.720   3.898
   99   HD21  I4G  13          HD21      I4G  13  14.723  11.073   4.049
  100    HA2  I4G  13           HA2      I4G  13  15.751  10.858   8.559
  101    HA3  I4G  13           HA3      I4G  13  15.038   9.364   9.194
  102    H    VAL  14           H        VAL  14  15.392   9.965  11.242
  103    HA   VAL  14           HA       VAL  14  18.212   9.935  12.105
  104    HB   VAL  14           HB       VAL  14  15.968  11.037  13.774
  105   HG11  VAL  14          HG11      VAL  14  18.555  10.483  14.383
  106   HG12  VAL  14          HG12      VAL  14  18.670  12.176  13.896
  107   HG13  VAL  14          HG13      VAL  14  17.575  11.703  15.196
  108   HG21  VAL  14          HG21      VAL  14  17.624  12.533  11.745
  109   HG22  VAL  14          HG22      VAL  14  15.882  12.264  11.688
  110   HG23  VAL  14          HG23      VAL  14  16.576  13.283  12.950
  111    H    GLY  15           H        GLY  15  16.342   7.662  11.610
  112    HA2  GLY  15           HA2      GLY  15  15.369   6.564  13.989
  113    HA3  GLY  15           HA3      GLY  15  15.855   5.639  12.575
  114    H    ALA  16           H        ALA  16  18.542   6.107  12.446
  115    HA   ALA  16           HA       ALA  16  19.626   4.256  14.180
  116    HB1  ALA  16           HB1      ALA  16  21.006   4.635  12.407
  117    HB2  ALA  16           HB2      ALA  16  20.768   6.382  12.450
  118    HB3  ALA  16           HB3      ALA  16  21.832   5.608  13.625
  119    H    ILE  17           H        ILE  17  20.463   7.716  14.363
  120    HA   ILE  17           HA       ILE  17  21.560   7.681  16.894
  121    HB   ILE  17           HB       ILE  17  20.026   9.955  15.628
  122   HG12  ILE  17          HG12      ILE  17  23.013   9.564  15.650
  123   HG13  ILE  17          HG13      ILE  17  22.005   8.909  14.365
  124   HG21  ILE  17          HG21      ILE  17  22.069  10.971  17.212
  125   HG22  ILE  17          HG22      ILE  17  20.343  10.997  17.567
  126   HG23  ILE  17          HG23      ILE  17  21.350   9.686  18.182
  127   HD11  ILE  17          HD11      ILE  17  21.682  11.776  15.017
  128   HD12  ILE  17          HD12      ILE  17  23.163  11.281  14.197
  129   HD13  ILE  17          HD13      ILE  17  21.595  10.945  13.464
  130    H    ALA  18           H        ALA  18  18.183   7.953  15.952
  131    HA   ALA  18           HA       ALA  18  17.071   8.737  18.384
  132    HB1  ALA  18           HB1      ALA  18  15.515   8.802  16.724
  133    HB2  ALA  18           HB2      ALA  18  16.070   7.298  15.990
  134    HB3  ALA  18           HB3      ALA  18  15.083   7.254  17.451
  135    H    GLU  19           H        GLU  19  17.744   5.471  17.153
  136    HA   GLU  19           HA       GLU  19  16.680   4.034  19.302
  137    HB2  GLU  19           HB2      GLU  19  17.958   3.407  16.933
  138    HB3  GLU  19           HB3      GLU  19  19.084   2.832  18.155
  139    HG2  GLU  19           HG2      GLU  19  16.296   2.110  18.660
  140    HG3  GLU  19           HG3      GLU  19  16.969   1.429  17.180
  141    H    HIS  20           H        HIS  20  19.564   5.894  19.051
  142    HA   HIS  20           HA       HIS  20  20.821   4.639  21.350
  143    HB2  HIS  20           HB2      HIS  20  21.620   6.629  19.302
  144    HB3  HIS  20           HB3      HIS  20  22.363   6.801  20.889
  145    HD1  HIS  20           HD1      HIS  20  24.324   5.340  21.356
  146    HD2  HIS  20           HD2      HIS  20  22.089   3.982  18.129
  147    HE1  HIS  20           HE1      HIS  20  25.638   3.429  20.385
  148    H    PHE  21           H        PHE  21  19.030   7.539  20.545
  149    HA   PHE  21           HA       PHE  21  19.559   8.932  22.967
  150    HB2  PHE  21           HB2      PHE  21  17.913   9.316  20.587
  151    HB3  PHE  21           HB3      PHE  21  17.124   9.886  22.054
  152    HD1  PHE  21           HD2      PHE  21  20.217  10.185  20.041
  153    HD2  PHE  21           HD1      PHE  21  17.745  11.910  23.047
  154    HE1  PHE  21           HE2      PHE  21  21.556  12.247  19.954
  155    HE2  PHE  21           HE1      PHE  21  19.080  13.975  22.963
  156    HZ   PHE  21           HZ       PHE  21  20.989  14.146  21.417
  157    HN1  NH2  22           HN1      NH2  22  16.832   6.760  21.756
  158    HN2  NH2  22           HN2      NH2  22  16.058   6.494  23.347
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1   3.035  -0.340  -3.331
    2    HA2  GLY   1           HA2      GLY   1   4.003  -1.287  -0.743
    3    HA3  GLY   1           HA3      GLY   1   4.842  -1.424  -2.281
    4    H    LEU   2           H        LEU   2   4.793   1.216  -3.132
    5    HA   LEU   2           HA       LEU   2   7.011   2.285  -1.790
    6    HB2  LEU   2           HB2      LEU   2   5.487   2.875  -4.098
    7    HB3  LEU   2           HB3      LEU   2   5.587   4.355  -3.146
    8    HG   LEU   2           HG       LEU   2   8.125   3.898  -3.106
    9   HD11  LEU   2          HD11      LEU   2   8.569   1.852  -3.960
   10   HD12  LEU   2          HD12      LEU   2   8.589   2.754  -5.476
   11   HD13  LEU   2          HD13      LEU   2   7.147   1.855  -5.004
   12   HD21  LEU   2          HD21      LEU   2   6.645   5.558  -4.533
   13   HD22  LEU   2          HD22      LEU   2   7.208   4.539  -5.859
   14   HD23  LEU   2          HD23      LEU   2   8.373   5.372  -4.830
   15    H    PHE   3           H        PHE   3   3.599   2.666  -1.279
   16    HA   PHE   3           HA       PHE   3   3.481   5.073   0.087
   17    HB2  PHE   3           HB2      PHE   3   1.700   3.064  -0.481
   18    HB3  PHE   3           HB3      PHE   3   1.827   2.955   1.271
   19    HD1  PHE   3           HD2      PHE   3   1.725   5.768  -1.183
   20    HD2  PHE   3           HD1      PHE   3   0.090   4.001   2.327
   21    HE1  PHE   3           HE2      PHE   3   0.171   7.662  -0.957
   22    HE2  PHE   3           HE1      PHE   3  -1.467   5.891   2.558
   23    HZ   PHE   3           HZ       PHE   3  -1.427   7.726   0.916
   24    H    GLY   4           H        GLY   4   3.917   1.822   1.498
   25    HA2  GLY   4           HA2      GLY   4   4.279   2.629   4.144
   26    HA3  GLY   4           HA3      GLY   4   4.917   1.146   3.449
   27    H    VAL   5           H        VAL   5   6.423   2.895   1.457
   28    HA   VAL   5           HA       VAL   5   8.779   3.217   3.132
   29    HB   VAL   5           HB       VAL   5   8.566   3.630   0.150
   30   HG11  VAL   5          HG11      VAL   5  11.015   3.065   0.279
   31   HG12  VAL   5          HG12      VAL   5  10.556   4.608   1.003
   32   HG13  VAL   5          HG13      VAL   5  10.879   3.211   2.031
   33   HG21  VAL   5          HG21      VAL   5   8.442   1.195   1.706
   34   HG22  VAL   5          HG22      VAL   5   8.207   1.438  -0.025
   35   HG23  VAL   5          HG23      VAL   5   9.832   1.201   0.620
   36    H    LEU   6           H        LEU   6   6.407   5.157   1.515
   37    HA   LEU   6           HA       LEU   6   7.736   7.559   1.165
   38    HB2  LEU   6           HB2      LEU   6   5.132   6.674   0.966
   39    HB3  LEU   6           HB3      LEU   6   5.047   7.901   2.227
   40    HG   LEU   6           HG       LEU   6   6.145   8.344  -0.549
   41   HD11  LEU   6          HD11      LEU   6   3.907   9.906  -0.246
   42   HD12  LEU   6          HD12      LEU   6   3.436   8.388   0.518
   43   HD13  LEU   6          HD13      LEU   6   3.999   8.396  -1.153
   44   HD21  LEU   6          HD21      LEU   6   5.894  10.754   0.151
   45   HD22  LEU   6          HD22      LEU   6   7.191   9.858   0.943
   46   HD23  LEU   6          HD23      LEU   6   5.681  10.167   1.801
   47    H    ALA   7           H        ALA   7   6.000   6.418   4.054
   48    HA   ALA   7           HA       ALA   7   6.643   8.697   5.628
   49    HB1  ALA   7           HB1      ALA   7   4.813   6.795   5.906
   50    HB2  ALA   7           HB2      ALA   7   6.058   6.106   6.950
   51    HB3  ALA   7           HB3      ALA   7   5.423   7.718   7.280
   52    H    LYS   8           H        LYS   8   8.257   5.694   4.936
   53    HA   LYS   8           HA       LYS   8  10.005   5.530   7.104
   54    HB2  LYS   8           HB2      LYS   8   9.683   4.251   4.588
   55    HB3  LYS   8           HB3      LYS   8  11.371   4.727   4.723
   56    HG2  LYS   8           HG2      LYS   8   9.903   3.178   6.843
   57    HG3  LYS   8           HG3      LYS   8  10.846   2.430   5.551
   58    HD2  LYS   8           HD2      LYS   8  12.578   4.307   6.571
   59    HD3  LYS   8           HD3      LYS   8  11.732   3.731   8.009
   60    HE2  LYS   8           HE2      LYS   8  12.292   1.433   6.541
   61    HE3  LYS   8           HE3      LYS   8  13.745   2.421   6.397
   62    HZ1  LYS   8           HZ1      LYS   8  13.299   2.674   8.980
   63    HZ2  LYS   8           HZ2      LYS   8  14.208   1.398   8.343
   64    HZ3  LYS   8           HZ3      LYS   8  12.585   1.157   8.754
   65    H    VAL   9           H        VAL   9  10.063   7.570   4.273
   66    HA   VAL   9           HA       VAL   9  12.743   8.378   4.317
   67    HB   VAL   9           HB       VAL   9  10.403  10.117   3.533
   68   HG11  VAL   9          HG11      VAL   9  12.530  11.290   3.672
   69   HG12  VAL   9          HG12      VAL   9  13.282  10.080   2.631
   70   HG13  VAL   9          HG13      VAL   9  12.018  11.132   1.992
   71   HG21  VAL   9          HG21      VAL   9  11.508   7.692   2.297
   72   HG22  VAL   9          HG22      VAL   9   9.926   8.447   2.102
   73   HG23  VAL   9          HG23      VAL   9  11.313   9.063   1.204
   74    H    ALA  10           H        ALA  10   9.911   9.669   6.006
   75    HA   ALA  10           HA       ALA  10  11.317  11.837   7.216
   76    HB1  ALA  10           HB1      ALA  10   9.061  12.258   7.088
   77    HB2  ALA  10           HB2      ALA  10   8.616  10.617   7.556
   78    HB3  ALA  10           HB3      ALA  10   9.218  11.747   8.769
   79    H    ALA  11           H        ALA  11  10.856   8.494   7.993
   80    HA   ALA  11           HA       ALA  11  11.645   8.812  10.765
   81    HB1  ALA  11           HB1      ALA  11  10.949   6.678  11.085
   82    HB2  ALA  11           HB2      ALA  11  10.049   7.014   9.606
   83    HB3  ALA  11           HB3      ALA  11  11.569   6.124   9.530
   84    H    HIS  12           H        HIS  12  13.154   8.317   7.736
   85    HA   HIS  12           HA       HIS  12  15.713   7.841   9.098
   86    HB2  HIS  12           HB2      HIS  12  14.692   5.765   7.945
   87    HB3  HIS  12           HB3      HIS  12  15.107   6.575   6.437
   88    HD1  HIS  12           HD1      HIS  12  17.867   7.636   6.999
   89    HD2  HIS  12           HD2      HIS  12  16.605   3.877   8.240
   90    HE1  HIS  12           HE1      HIS  12  19.969   6.291   7.317
   91    HB2  I4G  13           HB2      I4G  13  15.713  11.587   6.109
   92    HB3  I4G  13           HB3      I4G  13  15.842  12.452   7.641
   93    HG   I4G  13           HG       I4G  13  18.082  12.557   7.104
   94   HD13  I4G  13          HD13      I4G  13  17.973   9.616   7.983
   95   HD11  I4G  13          HD11      I4G  13  19.437  10.617   7.939
   96   HD12  I4G  13          HD12      I4G  13  18.130  11.010   9.060
   97   HD23  I4G  13          HD23      I4G  13  17.680  11.688   4.808
   98   HD22  I4G  13          HD22      I4G  13  17.750  10.025   5.411
   99   HD21  I4G  13          HD21      I4G  13  19.194  11.053   5.466
  100    HA2  I4G  13           HA2      I4G  13  15.152  11.756   9.368
  101    HA3  I4G  13           HA3      I4G  13  14.247  10.231   9.408
  102    H    VAL  14           H        VAL  14  15.251  11.386  11.614
  103    HA   VAL  14           HA       VAL  14  17.403   9.510  12.354
  104    HB   VAL  14           HB       VAL  14  16.914  12.095  13.807
  105   HG11  VAL  14          HG11      VAL  14  19.599  10.914  13.575
  106   HG12  VAL  14          HG12      VAL  14  18.776  11.601  14.977
  107   HG13  VAL  14          HG13      VAL  14  18.421   9.950  14.466
  108   HG21  VAL  14          HG21      VAL  14  19.142  12.598  12.332
  109   HG22  VAL  14          HG22      VAL  14  18.156  11.699  11.178
  110   HG23  VAL  14          HG23      VAL  14  17.522  13.165  11.926
  111    H    GLY  15           H        GLY  15  14.435   9.231  12.434
  112    HA2  GLY  15           HA2      GLY  15  13.455   9.486  15.050
  113    HA3  GLY  15           HA3      GLY  15  12.845   8.364  13.843
  114    H    ALA  16           H        ALA  16  14.291   6.386  13.511
  115    HA   ALA  16           HA       ALA  16  14.462   4.995  15.959
  116    HB1  ALA  16           HB1      ALA  16  14.092   4.056  13.611
  117    HB2  ALA  16           HB2      ALA  16  15.848   4.121  13.445
  118    HB3  ALA  16           HB3      ALA  16  15.117   3.130  14.708
  119    H    ILE  17           H        ILE  17  16.972   6.308  13.812
  120    HA   ILE  17           HA       ILE  17  19.231   5.420  15.121
  121    HB   ILE  17           HB       ILE  17  18.855   8.114  13.807
  122   HG12  ILE  17          HG12      ILE  17  19.964   5.556  12.638
  123   HG13  ILE  17          HG13      ILE  17  18.309   6.104  12.401
  124   HG21  ILE  17          HG21      ILE  17  21.410   7.627  13.385
  125   HG22  ILE  17          HG22      ILE  17  20.858   8.395  14.872
  126   HG23  ILE  17          HG23      ILE  17  21.234   6.672  14.857
  127   HD11  ILE  17          HD11      ILE  17  20.849   7.309  11.380
  128   HD12  ILE  17          HD12      ILE  17  19.422   6.788  10.482
  129   HD13  ILE  17          HD13      ILE  17  19.357   8.245  11.474
  130    H    ALA  18           H        ALA  18  17.075   8.044  15.979
  131    HA   ALA  18           HA       ALA  18  18.717   9.304  17.894
  132    HB1  ALA  18           HB1      ALA  18  15.723   9.211  17.590
  133    HB2  ALA  18           HB2      ALA  18  16.557  10.217  18.776
  134    HB3  ALA  18           HB3      ALA  18  16.825  10.480  17.053
  135    H    GLU  19           H        GLU  19  16.042   6.983  18.338
  136    HA   GLU  19           HA       GLU  19  16.322   6.677  21.099
  137    HB2  GLU  19           HB2      GLU  19  14.650   5.658  19.151
  138    HB3  GLU  19           HB3      GLU  19  15.508   4.232  19.720
  139    HG2  GLU  19           HG2      GLU  19  14.778   5.638  22.022
  140    HG3  GLU  19           HG3      GLU  19  13.374   5.694  20.958
  141    H    HIS  20           H        HIS  20  18.230   5.463  18.507
  142    HA   HIS  20           HA       HIS  20  19.348   3.198  19.774
  143    HB2  HIS  20           HB2      HIS  20  19.741   4.670  17.322
  144    HB3  HIS  20           HB3      HIS  20  21.294   4.246  18.036
  145    HD1  HIS  20           HD1      HIS  20  20.562   1.466  19.170
  146    HD2  HIS  20           HD2      HIS  20  19.569   2.787  15.358
  147    HE1  HIS  20           HE1      HIS  20  20.225  -0.617  17.803
  148    H    PHE  21           H        PHE  21  20.017   6.605  19.975
  149    HA   PHE  21           HA       PHE  21  22.403   6.072  21.604
  150    HB2  PHE  21           HB2      PHE  21  21.478   8.450  20.027
  151    HB3  PHE  21           HB3      PHE  21  22.621   8.663  21.348
  152    HD1  PHE  21           HD1      PHE  21  22.089   6.806  18.181
  153    HD2  PHE  21           HD2      PHE  21  24.894   8.291  21.017
  154    HE1  PHE  21           HE1      PHE  21  23.934   6.189  16.674
  155    HE2  PHE  21           HE2      PHE  21  26.743   7.677  19.515
  156    HZ   PHE  21           HZ       PHE  21  26.265   6.626  17.340
  157    HN1  NH2  22           HN1      NH2  22  18.991   7.115  21.690
  158    HN2  NH2  22           HN2      NH2  22  18.934   7.667  23.392
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1   0.832   0.365  -2.223
    2    HA2  GLY   1           HA2      GLY   1   2.060  -0.155   0.162
    3    HA3  GLY   1           HA3      GLY   1   2.759  -0.585  -1.392
    4    H    LEU   2           H        LEU   2   2.914   2.319  -2.122
    5    HA   LEU   2           HA       LEU   2   5.570   2.766  -1.270
    6    HB2  LEU   2           HB2      LEU   2   3.752   3.892  -3.129
    7    HB3  LEU   2           HB3      LEU   2   4.371   5.204  -2.129
    8    HG   LEU   2           HG       LEU   2   6.674   4.518  -2.724
    9   HD11  LEU   2          HD11      LEU   2   6.934   2.992  -4.673
   10   HD12  LEU   2          HD12      LEU   2   5.232   2.564  -4.506
   11   HD13  LEU   2          HD13      LEU   2   6.365   2.196  -3.206
   12   HD21  LEU   2          HD21      LEU   2   6.034   6.280  -4.032
   13   HD22  LEU   2          HD22      LEU   2   4.669   5.411  -4.732
   14   HD23  LEU   2          HD23      LEU   2   6.310   5.063  -5.278
   15    H    PHE   3           H        PHE   3   2.469   3.796  -0.049
   16    HA   PHE   3           HA       PHE   3   3.205   5.969   1.515
   17    HB2  PHE   3           HB2      PHE   3   0.885   4.587   1.094
   18    HB3  PHE   3           HB3      PHE   3   1.246   4.163   2.764
   19    HD1  PHE   3           HD1      PHE   3   1.133   7.164   0.552
   20    HD2  PHE   3           HD2      PHE   3   0.447   5.532   4.423
   21    HE1  PHE   3           HE1      PHE   3   0.207   9.319   1.293
   22    HE2  PHE   3           HE2      PHE   3  -0.481   7.684   5.170
   23    HZ   PHE   3           HZ       PHE   3  -0.603   9.582   3.604
   24    H    GLY   4           H        GLY   4   3.776   2.577   1.989
   25    HA2  GLY   4           HA2      GLY   4   4.505   2.897   4.783
   26    HA3  GLY   4           HA3      GLY   4   4.568   1.409   3.850
   27    H    VAL   5           H        VAL   5   6.111   2.587   1.678
   28    HA   VAL   5           HA       VAL   5   8.722   2.199   2.805
   29    HB   VAL   5           HB       VAL   5   8.058   3.095   0.000
   30   HG11  VAL   5          HG11      VAL   5  10.491   2.034   1.362
   31   HG12  VAL   5          HG12      VAL   5  10.231   1.679  -0.347
   32   HG13  VAL   5          HG13      VAL   5  10.335   3.353   0.202
   33   HG21  VAL   5          HG21      VAL   5   6.946   1.142  -0.123
   34   HG22  VAL   5          HG22      VAL   5   8.561   0.440  -0.215
   35   HG23  VAL   5          HG23      VAL   5   7.712   0.496   1.329
   36    H    LEU   6           H        LEU   6   6.772   4.923   1.862
   37    HA   LEU   6           HA       LEU   6   8.803   6.856   1.609
   38    HB2  LEU   6           HB2      LEU   6   6.021   6.786   1.429
   39    HB3  LEU   6           HB3      LEU   6   6.365   7.933   2.722
   40    HG   LEU   6           HG       LEU   6   7.327   8.083  -0.133
   41   HD11  LEU   6          HD11      LEU   6   5.077   8.760  -0.055
   42   HD12  LEU   6          HD12      LEU   6   6.016  10.251  -0.009
   43   HD13  LEU   6          HD13      LEU   6   5.300   9.614   1.471
   44   HD21  LEU   6          HD21      LEU   6   9.065   8.885   1.349
   45   HD22  LEU   6          HD22      LEU   6   7.901   9.891   2.213
   46   HD23  LEU   6          HD23      LEU   6   8.298  10.247   0.531
   47    H    ALA   7           H        ALA   7   7.239   5.444   4.375
   48    HA   ALA   7           HA       ALA   7   7.824   7.388   6.308
   49    HB1  ALA   7           HB1      ALA   7   7.924   4.527   7.090
   50    HB2  ALA   7           HB2      ALA   7   7.078   5.881   7.842
   51    HB3  ALA   7           HB3      ALA   7   6.426   5.135   6.383
   52    H    LYS   8           H        LYS   8   9.772   4.820   4.921
   53    HA   LYS   8           HA       LYS   8  11.860   4.755   6.770
   54    HB2  LYS   8           HB2      LYS   8  11.328   3.688   4.191
   55    HB3  LYS   8           HB3      LYS   8  12.919   4.435   4.133
   56    HG2  LYS   8           HG2      LYS   8  12.086   2.458   6.240
   57    HG3  LYS   8           HG3      LYS   8  12.905   2.013   4.741
   58    HD2  LYS   8           HD2      LYS   8  14.701   3.688   5.413
   59    HD3  LYS   8           HD3      LYS   8  13.939   3.703   7.005
   60    HE2  LYS   8           HE2      LYS   8  14.920   1.785   7.558
   61    HE3  LYS   8           HE3      LYS   8  14.328   1.000   6.094
   62    HZ1  LYS   8           HZ1      LYS   8  16.712   0.943   6.129
   63    HZ2  LYS   8           HZ2      LYS   8  16.805   2.617   6.352
   64    HZ3  LYS   8           HZ3      LYS   8  16.217   1.990   4.895
   65    H    VAL   9           H        VAL   9  11.130   7.033   4.229
   66    HA   VAL   9           HA       VAL   9  13.637   8.290   4.024
   67    HB   VAL   9           HB       VAL   9  10.955   9.629   3.667
   68   HG11  VAL   9          HG11      VAL   9  12.841  11.159   3.678
   69   HG12  VAL   9          HG12      VAL   9  13.667  10.180   2.464
   70   HG13  VAL   9          HG13      VAL   9  12.173  11.022   2.052
   71   HG21  VAL   9          HG21      VAL   9  12.522   7.880   1.781
   72   HG22  VAL   9          HG22      VAL   9  10.877   7.633   2.366
   73   HG23  VAL   9          HG23      VAL   9  11.230   8.962   1.261
   74    H    ALA  10           H        ALA  10  10.869   8.898   6.143
   75    HA   ALA  10           HA       ALA  10  12.224  11.103   7.453
   76    HB1  ALA  10           HB1      ALA  10  10.203  11.381   8.721
   77    HB2  ALA  10           HB2      ALA  10   9.780  11.143   7.025
   78    HB3  ALA  10           HB3      ALA  10   9.595   9.818   8.174
   79    H    ALA  11           H        ALA  11  11.775   7.709   7.890
   80    HA   ALA  11           HA       ALA  11  12.382   7.703  10.707
   81    HB1  ALA  11           HB1      ALA  11  11.075   5.956   9.150
   82    HB2  ALA  11           HB2      ALA  11  12.673   5.209   9.154
   83    HB3  ALA  11           HB3      ALA  11  11.837   5.510  10.677
   84    H    HIS  12           H        HIS  12  14.153   7.584   7.743
   85    HA   HIS  12           HA       HIS  12  16.650   7.621   9.210
   86    HB2  HIS  12           HB2      HIS  12  15.953   5.171   8.604
   87    HB3  HIS  12           HB3      HIS  12  16.472   5.622   6.983
   88    HD1  HIS  12           HD1      HIS  12  18.147   3.504   7.890
   89    HD2  HIS  12           HD2      HIS  12  18.864   7.383   9.195
   90    HE1  HIS  12           HE1      HIS  12  20.540   3.522   8.663
   91    HB2  I4G  13           HB2      I4G  13  15.940  10.548   5.363
   92    HB3  I4G  13           HB3      I4G  13  16.446  11.654   6.642
   93    HG   I4G  13           HG       I4G  13  18.168   9.605   5.156
   94   HD13  I4G  13          HD13      I4G  13  18.432  12.641   5.535
   95   HD11  I4G  13          HD11      I4G  13  19.587  11.616   4.663
   96   HD12  I4G  13          HD12      I4G  13  17.947  11.826   4.043
   97   HD23  I4G  13          HD23      I4G  13  18.687   9.448   7.584
   98   HD22  I4G  13          HD22      I4G  13  18.926  11.201   7.659
   99   HD21  I4G  13          HD21      I4G  13  20.026  10.194   6.700
  100    HA2  I4G  13           HA2      I4G  13  15.493  11.329   8.333
  101    HA3  I4G  13           HA3      I4G  13  14.651   9.800   8.644
  102    H    VAL  14           H        VAL  14  14.853  10.730  10.789
  103    HA   VAL  14           HA       VAL  14  17.323   9.724  12.039
  104    HB   VAL  14           HB       VAL  14  17.135  12.259  12.033
  105   HG11  VAL  14          HG11      VAL  14  15.514  13.363  13.202
  106   HG12  VAL  14          HG12      VAL  14  14.586  11.960  12.670
  107   HG13  VAL  14          HG13      VAL  14  15.238  12.018  14.308
  108   HG21  VAL  14          HG21      VAL  14  18.652  11.875  13.618
  109   HG22  VAL  14          HG22      VAL  14  17.344  12.033  14.790
  110   HG23  VAL  14          HG23      VAL  14  17.800  10.440  14.187
  111    H    GLY  15           H        GLY  15  14.225   9.053  11.618
  112    HA2  GLY  15           HA2      GLY  15  13.019   8.806  14.106
  113    HA3  GLY  15           HA3      GLY  15  12.716   7.739  12.743
  114    H    ALA  16           H        ALA  16  14.589   6.104  12.389
  115    HA   ALA  16           HA       ALA  16  14.659   4.388  14.595
  116    HB1  ALA  16           HB1      ALA  16  15.408   4.264  11.909
  117    HB2  ALA  16           HB2      ALA  16  16.873   3.897  12.821
  118    HB3  ALA  16           HB3      ALA  16  15.410   2.947  13.082
  119    H    ILE  17           H        ILE  17  17.185   6.528  13.296
  120    HA   ILE  17           HA       ILE  17  19.242   5.887  15.035
  121    HB   ILE  17           HB       ILE  17  18.624   8.634  13.942
  122   HG12  ILE  17          HG12      ILE  17  20.284   6.387  12.780
  123   HG13  ILE  17          HG13      ILE  17  18.726   6.935  12.172
  124   HG21  ILE  17          HG21      ILE  17  20.460   9.322  14.979
  125   HG22  ILE  17          HG22      ILE  17  20.651   7.725  15.700
  126   HG23  ILE  17          HG23      ILE  17  21.404   8.086  14.147
  127   HD11  ILE  17          HD11      ILE  17  20.266   9.227  12.221
  128   HD12  ILE  17          HD12      ILE  17  21.375   7.969  11.674
  129   HD13  ILE  17          HD13      ILE  17  19.866   8.253  10.807
  130    H    ALA  18           H        ALA  18  16.507   8.056  15.507
  131    HA   ALA  18           HA       ALA  18  17.398   9.185  17.950
  132    HB1  ALA  18           HB1      ALA  18  15.088   9.946  18.214
  133    HB2  ALA  18           HB2      ALA  18  15.689  10.255  16.585
  134    HB3  ALA  18           HB3      ALA  18  14.593   8.906  16.879
  135    H    GLU  19           H        GLU  19  15.379   6.390  17.166
  136    HA   GLU  19           HA       GLU  19  14.509   5.767  19.746
  137    HB2  GLU  19           HB2      GLU  19  14.206   4.666  17.231
  138    HB3  GLU  19           HB3      GLU  19  15.094   3.423  18.101
  139    HG2  GLU  19           HG2      GLU  19  12.842   4.556  19.585
  140    HG3  GLU  19           HG3      GLU  19  12.394   3.711  18.104
  141    H    HIS  20           H        HIS  20  17.605   5.437  18.282
  142    HA   HIS  20           HA       HIS  20  18.545   3.522  20.264
  143    HB2  HIS  20           HB2      HIS  20  19.624   4.674  17.740
  144    HB3  HIS  20           HB3      HIS  20  20.787   4.142  18.951
  145    HD1  HIS  20           HD1      HIS  20  21.404   1.749  18.837
  146    HD2  HIS  20           HD2      HIS  20  17.723   2.485  17.057
  147    HE1  HIS  20           HE1      HIS  20  20.687  -0.447  17.843
  148    H    PHE  21           H        PHE  21  19.251   6.857  19.251
  149    HA   PHE  21           HA       PHE  21  21.187   7.438  21.170
  150    HB2  PHE  21           HB2      PHE  21  19.433   8.982  19.382
  151    HB3  PHE  21           HB3      PHE  21  19.945   9.850  20.825
  152    HD1  PHE  21           HD1      PHE  21  21.215   7.945  17.911
  153    HD2  PHE  21           HD2      PHE  21  22.080  10.781  20.964
  154    HE1  PHE  21           HE1      PHE  21  23.379   8.430  16.844
  155    HE2  PHE  21           HE2      PHE  21  24.244  11.271  19.902
  156    HZ   PHE  21           HZ       PHE  21  24.896  10.095  17.839
  157    HN1  NH2  22           HN1      NH2  22  17.714   8.748  21.218
  158    HN2  NH2  22           HN2      NH2  22  17.498   8.671  22.993
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1   2.193   0.476  -0.455
    2    HA2  GLY   1           HA2      GLY   1   0.934   2.415   1.357
    3    HA3  GLY   1           HA3      GLY   1   2.187   1.263   1.794
    4    H    LEU   2           H        LEU   2   1.582   4.210  -0.073
    5    HA   LEU   2           HA       LEU   2   4.212   4.873  -0.685
    6    HB2  LEU   2           HB2      LEU   2   1.728   6.035  -1.008
    7    HB3  LEU   2           HB3      LEU   2   2.588   7.182   0.018
    8    HG   LEU   2           HG       LEU   2   2.754   7.758  -2.357
    9   HD11  LEU   2          HD11      LEU   2   5.096   8.176  -2.406
   10   HD12  LEU   2          HD12      LEU   2   5.421   6.830  -1.314
   11   HD13  LEU   2          HD13      LEU   2   4.581   8.262  -0.721
   12   HD21  LEU   2          HD21      LEU   2   4.509   5.399  -2.841
   13   HD22  LEU   2          HD22      LEU   2   3.591   6.377  -3.986
   14   HD23  LEU   2          HD23      LEU   2   2.760   5.206  -2.962
   15    H    PHE   3           H        PHE   3   2.359   5.411   2.257
   16    HA   PHE   3           HA       PHE   3   4.015   7.196   3.578
   17    HB2  PHE   3           HB2      PHE   3   1.784   5.623   4.234
   18    HB3  PHE   3           HB3      PHE   3   3.020   5.198   5.413
   19    HD1  PHE   3           HD2      PHE   3   1.049   7.981   4.014
   20    HD2  PHE   3           HD1      PHE   3   3.648   6.695   7.130
   21    HE1  PHE   3           HE2      PHE   3   0.538  10.028   5.280
   22    HE2  PHE   3           HE1      PHE   3   3.141   8.740   8.402
   23    HZ   PHE   3           HZ       PHE   3   1.585  10.410   7.477
   24    H    GLY   4           H        GLY   4   4.233   3.665   3.388
   25    HA2  GLY   4           HA2      GLY   4   6.400   3.375   5.179
   26    HA3  GLY   4           HA3      GLY   4   5.918   2.211   3.954
   27    H    VAL   5           H        VAL   5   6.278   3.851   1.677
   28    HA   VAL   5           HA       VAL   5   9.001   3.419   1.149
   29    HB   VAL   5           HB       VAL   5   7.204   5.329  -0.344
   30   HG11  VAL   5          HG11      VAL   5   9.337   5.611  -1.204
   31   HG12  VAL   5          HG12      VAL   5   9.766   3.915  -0.968
   32   HG13  VAL   5          HG13      VAL   5   8.660   4.374  -2.263
   33   HG21  VAL   5          HG21      VAL   5   7.166   2.391  -0.141
   34   HG22  VAL   5          HG22      VAL   5   5.881   3.516  -0.582
   35   HG23  VAL   5          HG23      VAL   5   7.089   3.045  -1.777
   36    H    LEU   6           H        LEU   6   7.350   6.076   2.599
   37    HA   LEU   6           HA       LEU   6   9.580   7.906   2.191
   38    HB2  LEU   6           HB2      LEU   6   7.735   9.198   2.054
   39    HB3  LEU   6           HB3      LEU   6   6.778   8.123   3.070
   40    HG   LEU   6           HG       LEU   6   7.871   9.077   5.064
   41   HD11  LEU   6          HD11      LEU   6   8.913  11.476   4.059
   42   HD12  LEU   6          HD12      LEU   6   9.624  10.189   3.085
   43   HD13  LEU   6          HD13      LEU   6   9.791  10.161   4.841
   44   HD21  LEU   6          HD21      LEU   6   5.760  10.014   3.860
   45   HD22  LEU   6          HD22      LEU   6   6.810  11.382   3.488
   46   HD23  LEU   6          HD23      LEU   6   6.507  10.933   5.167
   47    H    ALA   7           H        ALA   7   7.979   6.136   4.792
   48    HA   ALA   7           HA       ALA   7   9.613   7.207   6.874
   49    HB1  ALA   7           HB1      ALA   7   8.654   4.849   7.872
   50    HB2  ALA   7           HB2      ALA   7   7.814   6.400   7.931
   51    HB3  ALA   7           HB3      ALA   7   7.456   5.251   6.641
   52    H    LYS   8           H        LYS   8   9.943   4.622   4.600
   53    HA   LYS   8           HA       LYS   8  11.731   2.943   5.924
   54    HB2  LYS   8           HB2      LYS   8  10.718   3.238   3.287
   55    HB3  LYS   8           HB3      LYS   8  12.468   3.125   3.166
   56    HG2  LYS   8           HG2      LYS   8  12.222   1.082   4.718
   57    HG3  LYS   8           HG3      LYS   8  10.522   1.127   4.243
   58    HD2  LYS   8           HD2      LYS   8  11.252   1.058   1.864
   59    HD3  LYS   8           HD3      LYS   8  12.912   0.846   2.424
   60    HE2  LYS   8           HE2      LYS   8  12.517  -1.283   3.207
   61    HE3  LYS   8           HE3      LYS   8  10.792  -0.996   3.427
   62    HZ1  LYS   8           HZ1      LYS   8  11.406  -0.734   0.704
   63    HZ2  LYS   8           HZ2      LYS   8  10.420  -1.887   1.451
   64    HZ3  LYS   8           HZ3      LYS   8  12.073  -2.189   1.253
   65    H    VAL   9           H        VAL   9  12.203   6.070   4.500
   66    HA   VAL   9           HA       VAL   9  15.052   5.922   4.308
   67    HB   VAL   9           HB       VAL   9  13.366   8.420   4.476
   68   HG11  VAL   9          HG11      VAL   9  15.216   9.401   3.166
   69   HG12  VAL   9          HG12      VAL   9  15.732   8.831   4.755
   70   HG13  VAL   9          HG13      VAL   9  16.097   7.880   3.314
   71   HG21  VAL   9          HG21      VAL   9  13.539   8.312   1.937
   72   HG22  VAL   9          HG22      VAL   9  13.976   6.616   2.149
   73   HG23  VAL   9          HG23      VAL   9  12.408   7.200   2.707
   74    H    ALA  10           H        ALA  10  12.773   7.228   6.681
   75    HA   ALA  10           HA       ALA  10  14.612   8.469   8.380
   76    HB1  ALA  10           HB1      ALA  10  12.825   8.905   9.653
   77    HB2  ALA  10           HB2      ALA  10  11.897   8.164   8.349
   78    HB3  ALA  10           HB3      ALA  10  12.364   7.206   9.754
   79    H    ALA  11           H        ALA  11  13.860   5.121   7.911
   80    HA   ALA  11           HA       ALA  11  15.336   4.362  10.328
   81    HB1  ALA  11           HB1      ALA  11  13.277   3.214  10.176
   82    HB2  ALA  11           HB2      ALA  11  13.543   2.808   8.480
   83    HB3  ALA  11           HB3      ALA  11  14.522   2.045   9.733
   84    H    HIS  12           H        HIS  12  15.566   4.426   6.874
   85    HA   HIS  12           HA       HIS  12  18.186   3.092   7.054
   86    HB2  HIS  12           HB2      HIS  12  16.338   1.775   5.869
   87    HB3  HIS  12           HB3      HIS  12  16.433   2.996   4.603
   88    HD1  HIS  12           HD1      HIS  12  17.073   0.473   3.447
   89    HD2  HIS  12           HD2      HIS  12  19.959   2.516   5.629
   90    HE1  HIS  12           HE1      HIS  12  19.278  -0.476   2.698
   91    HB2  I4G  13           HB2      I4G  13  20.454   7.146   6.695
   92    HB3  I4G  13           HB3      I4G  13  20.244   6.485   5.073
   93    HG   I4G  13           HG       I4G  13  17.752   7.438   5.333
   94   HD13  I4G  13          HD13      I4G  13  19.333   9.213   7.277
   95   HD11  I4G  13          HD11      I4G  13  17.712   9.571   6.655
   96   HD12  I4G  13          HD12      I4G  13  17.968   8.174   7.706
   97   HD23  I4G  13          HD23      I4G  13  19.405   8.166   3.622
   98   HD22  I4G  13          HD22      I4G  13  20.169   9.244   4.801
   99   HD21  I4G  13          HD21      I4G  13  18.508   9.550   4.262
  100    HA2  I4G  13           HA2      I4G  13  19.719   4.083   7.872
  101    HA3  I4G  13           HA3      I4G  13  20.484   5.669   8.076
  102    H    VAL  14           H        VAL  14  19.798   4.415  10.220
  103    HA   VAL  14           HA       VAL  14  17.257   5.617  11.095
  104    HB   VAL  14           HB       VAL  14  17.612   3.117  11.387
  105   HG11  VAL  14          HG11      VAL  14  19.228   3.778  13.803
  106   HG12  VAL  14          HG12      VAL  14  19.128   2.271  12.890
  107   HG13  VAL  14          HG13      VAL  14  20.038   3.636  12.243
  108   HG21  VAL  14          HG21      VAL  14  15.892   3.540  12.739
  109   HG22  VAL  14          HG22      VAL  14  17.057   3.601  14.062
  110   HG23  VAL  14          HG23      VAL  14  16.575   5.087  13.242
  111    H    GLY  15           H        GLY  15  20.329   6.486  10.951
  112    HA2  GLY  15           HA2      GLY  15  21.232   7.072  13.503
  113    HA3  GLY  15           HA3      GLY  15  21.587   8.041  12.081
  114    H    ALA  16           H        ALA  16  19.002   8.941  11.482
  115    HA   ALA  16           HA       ALA  16  18.808  11.223  13.061
  116    HB1  ALA  16           HB1      ALA  16  17.632  10.336  10.745
  117    HB2  ALA  16           HB2      ALA  16  16.271  10.431  11.863
  118    HB3  ALA  16           HB3      ALA  16  17.270  11.854  11.568
  119    H    ILE  17           H        ILE  17  16.479   8.515  13.007
  120    HA   ILE  17           HA       ILE  17  15.056   9.312  15.281
  121    HB   ILE  17           HB       ILE  17  15.417   6.512  14.205
  122   HG12  ILE  17          HG12      ILE  17  13.123   8.412  13.719
  123   HG13  ILE  17          HG13      ILE  17  14.503   8.293  12.633
  124   HG21  ILE  17          HG21      ILE  17  12.890   6.888  15.414
  125   HG22  ILE  17          HG22      ILE  17  14.197   5.819  15.921
  126   HG23  ILE  17          HG23      ILE  17  14.111   7.465  16.549
  127   HD11  ILE  17          HD11      ILE  17  13.187   6.813  11.580
  128   HD12  ILE  17          HD12      ILE  17  13.806   5.702  12.802
  129   HD13  ILE  17          HD13      ILE  17  12.234   6.470  13.023
  130    H    ALA  18           H        ALA  18  17.924   7.305  14.928
  131    HA   ALA  18           HA       ALA  18  18.063   6.185  17.466
  132    HB1  ALA  18           HB1      ALA  18  20.663   6.493  16.959
  133    HB2  ALA  18           HB2      ALA  18  19.668   5.289  16.139
  134    HB3  ALA  18           HB3      ALA  18  20.028   6.823  15.347
  135    H    GLU  19           H        GLU  19  19.308   9.312  16.328
  136    HA   GLU  19           HA       GLU  19  20.553  10.114  18.696
  137    HB2  GLU  19           HB2      GLU  19  20.162  11.212  16.192
  138    HB3  GLU  19           HB3      GLU  19  19.266  12.299  17.243
  139    HG2  GLU  19           HG2      GLU  19  21.708  11.827  18.529
  140    HG3  GLU  19           HG3      GLU  19  22.092  12.084  16.828
  141    H    HIS  20           H        HIS  20  17.217   9.894  17.882
  142    HA   HIS  20           HA       HIS  20  16.345  11.694  19.979
  143    HB2  HIS  20           HB2      HIS  20  15.147  10.419  17.670
  144    HB3  HIS  20           HB3      HIS  20  14.140  10.210  19.100
  145    HD1  HIS  20           HD1      HIS  20  14.324  12.846  20.487
  146    HD2  HIS  20           HD2      HIS  20  14.096  12.526  16.351
  147    HE1  HIS  20           HE1      HIS  20  13.441  15.062  19.688
  148    H    PHE  21           H        PHE  21  15.967   8.219  19.275
  149    HA   PHE  21           HA       PHE  21  14.803   7.536  21.734
  150    HB2  PHE  21           HB2      PHE  21  16.191   6.023  19.565
  151    HB3  PHE  21           HB3      PHE  21  15.896   5.209  21.098
  152    HD1  PHE  21           HD2      PHE  21  14.047   7.355  18.667
  153    HD2  PHE  21           HD1      PHE  21  13.968   3.989  21.270
  154    HE1  PHE  21           HE2      PHE  21  11.743   6.865  17.957
  155    HE2  PHE  21           HE1      PHE  21  11.664   3.493  20.564
  156    HZ   PHE  21           HZ       PHE  21  10.548   4.933  18.906
  157    HN1  NH2  22           HN1      NH2  22  18.128   8.431  20.834
  158    HN2  NH2  22           HN2      NH2  22  18.947   7.949  22.351
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -1.005   1.166  -1.643
    2    HA2  GLY   1           HA2      GLY   1   0.456   1.346   0.500
    3    HA3  GLY   1           HA3      GLY   1   0.946   0.187  -0.726
    4    H    LEU   2           H        LEU   2   1.603   2.518  -2.546
    5    HA   LEU   2           HA       LEU   2   4.340   2.597  -2.167
    6    HB2  LEU   2           HB2      LEU   2   4.261   4.666  -3.604
    7    HB3  LEU   2           HB3      LEU   2   3.498   3.223  -4.270
    8    HG   LEU   2           HG       LEU   2   1.467   4.645  -2.941
    9   HD11  LEU   2          HD11      LEU   2   3.203   6.537  -3.140
   10   HD12  LEU   2          HD12      LEU   2   1.556   6.841  -3.691
   11   HD13  LEU   2          HD13      LEU   2   2.827   6.495  -4.863
   12   HD21  LEU   2          HD21      LEU   2   2.165   4.290  -5.850
   13   HD22  LEU   2          HD22      LEU   2   0.635   4.952  -5.275
   14   HD23  LEU   2          HD23      LEU   2   1.085   3.294  -4.875
   15    H    PHE   3           H        PHE   3   1.844   4.595  -0.760
   16    HA   PHE   3           HA       PHE   3   3.383   6.734   0.156
   17    HB2  PHE   3           HB2      PHE   3   0.730   5.857   0.444
   18    HB3  PHE   3           HB3      PHE   3   1.354   6.016   2.082
   19    HD1  PHE   3           HD2      PHE   3   1.789   7.962  -1.075
   20    HD2  PHE   3           HD1      PHE   3   0.713   7.990   3.043
   21    HE1  PHE   3           HE2      PHE   3   1.446  10.395  -1.185
   22    HE2  PHE   3           HE1      PHE   3   0.367  10.424   2.939
   23    HZ   PHE   3           HZ       PHE   3   0.734  11.630   0.823
   24    H    GLY   4           H        GLY   4   2.987   3.492   1.411
   25    HA2  GLY   4           HA2      GLY   4   4.341   4.109   3.901
   26    HA3  GLY   4           HA3      GLY   4   3.765   2.530   3.387
   27    H    VAL   5           H        VAL   5   5.227   3.095   0.742
   28    HA   VAL   5           HA       VAL   5   7.728   1.890   1.593
   29    HB   VAL   5           HB       VAL   5   6.849   2.520  -1.225
   30   HG11  VAL   5          HG11      VAL   5   9.220   1.373  -0.063
   31   HG12  VAL   5          HG12      VAL   5   8.427   0.218  -1.136
   32   HG13  VAL   5          HG13      VAL   5   8.891   1.809  -1.739
   33   HG21  VAL   5          HG21      VAL   5   5.161   1.129  -0.198
   34   HG22  VAL   5          HG22      VAL   5   6.109   0.164  -1.329
   35   HG23  VAL   5          HG23      VAL   5   6.395   0.023   0.405
   36    H    LEU   6           H        LEU   6   6.544   4.959   0.560
   37    HA   LEU   6           HA       LEU   6   9.204   5.962  -0.077
   38    HB2  LEU   6           HB2      LEU   6   7.830   6.983  -1.548
   39    HB3  LEU   6           HB3      LEU   6   6.431   6.867  -0.483
   40    HG   LEU   6           HG       LEU   6   7.274   8.802   0.792
   41   HD11  LEU   6          HD11      LEU   6   9.683   8.227  -0.440
   42   HD12  LEU   6          HD12      LEU   6   9.313   9.651   0.532
   43   HD13  LEU   6          HD13      LEU   6   9.145   9.713  -1.222
   44   HD21  LEU   6          HD21      LEU   6   5.670   9.124  -1.020
   45   HD22  LEU   6          HD22      LEU   6   6.995   9.284  -2.173
   46   HD23  LEU   6          HD23      LEU   6   6.781  10.489  -0.902
   47    H    ALA   7           H        ALA   7   6.676   6.363   2.353
   48    HA   ALA   7           HA       ALA   7   8.039   8.410   3.804
   49    HB1  ALA   7           HB1      ALA   7   5.622   6.737   4.249
   50    HB2  ALA   7           HB2      ALA   7   6.346   7.553   5.635
   51    HB3  ALA   7           HB3      ALA   7   5.799   8.492   4.247
   52    H    LYS   8           H        LYS   8   8.180   4.957   3.745
   53    HA   LYS   8           HA       LYS   8   9.135   4.395   6.303
   54    HB2  LYS   8           HB2      LYS   8   8.838   3.008   3.842
   55    HB3  LYS   8           HB3      LYS   8  10.482   2.733   4.403
   56    HG2  LYS   8           HG2      LYS   8   8.046   2.302   6.113
   57    HG3  LYS   8           HG3      LYS   8   8.807   1.036   5.146
   58    HD2  LYS   8           HD2      LYS   8  10.740   1.039   6.442
   59    HD3  LYS   8           HD3      LYS   8  10.418   2.648   7.091
   60    HE2  LYS   8           HE2      LYS   8   9.607   1.623   8.896
   61    HE3  LYS   8           HE3      LYS   8   8.231   1.159   7.897
   62    HZ1  LYS   8           HZ1      LYS   8  10.147  -0.499   9.085
   63    HZ2  LYS   8           HZ2      LYS   8  10.312  -0.643   7.408
   64    HZ3  LYS   8           HZ3      LYS   8   8.817  -0.946   8.139
   65    H    VAL   9           H        VAL   9  10.841   5.482   3.410
   66    HA   VAL   9           HA       VAL   9  13.458   5.222   4.473
   67    HB   VAL   9           HB       VAL   9  12.578   7.136   2.311
   68   HG11  VAL   9          HG11      VAL   9  15.232   5.787   2.794
   69   HG12  VAL   9          HG12      VAL   9  14.857   6.951   1.522
   70   HG13  VAL   9          HG13      VAL   9  14.853   7.457   3.212
   71   HG21  VAL   9          HG21      VAL   9  11.755   5.056   1.594
   72   HG22  VAL   9          HG22      VAL   9  13.313   5.228   0.786
   73   HG23  VAL   9          HG23      VAL   9  13.166   4.191   2.204
   74    H    ALA  10           H        ALA  10  11.159   7.908   4.321
   75    HA   ALA  10           HA       ALA  10  12.791   9.953   5.264
   76    HB1  ALA  10           HB1      ALA  10   9.964   9.886   6.171
   77    HB2  ALA  10           HB2      ALA  10  10.893  11.201   5.450
   78    HB3  ALA  10           HB3      ALA  10  10.277   9.896   4.435
   79    H    ALA  11           H        ALA  11  11.400   7.263   6.937
   80    HA   ALA  11           HA       ALA  11  11.558   8.347   9.571
   81    HB1  ALA  11           HB1      ALA  11  11.529   5.441   8.771
   82    HB2  ALA  11           HB2      ALA  11  11.089   6.123  10.338
   83    HB3  ALA  11           HB3      ALA  11  10.089   6.449   8.922
   84    H    HIS  12           H        HIS  12  13.826   6.897   7.409
   85    HA   HIS  12           HA       HIS  12  15.868   7.002   9.526
   86    HB2  HIS  12           HB2      HIS  12  15.087   4.641   8.755
   87    HB3  HIS  12           HB3      HIS  12  16.027   4.985   7.306
   88    HD1  HIS  12           HD1      HIS  12  16.603   5.055  11.073
   89    HD2  HIS  12           HD2      HIS  12  18.587   4.165   7.533
   90    HE1  HIS  12           HE1      HIS  12  18.873   4.222  11.765
   91    HB2  I4G  13           HB2      I4G  13  17.619  10.835   7.519
   92    HB3  I4G  13           HB3      I4G  13  18.251   9.431   6.656
   93    HG   I4G  13           HG       I4G  13  17.027  11.220   5.231
   94   HD13  I4G  13          HD13      I4G  13  16.005   8.327   5.103
   95   HD11  I4G  13          HD11      I4G  13  15.879   9.514   3.791
   96   HD12  I4G  13          HD12      I4G  13  17.465   8.941   4.317
   97   HD23  I4G  13          HD23      I4G  13  15.141  11.616   6.803
   98   HD22  I4G  13          HD22      I4G  13  14.575   9.955   6.564
   99   HD21  I4G  13          HD21      I4G  13  14.543  11.108   5.218
  100    HA2  I4G  13           HA2      I4G  13  15.670  10.691   8.771
  101    HA3  I4G  13           HA3      I4G  13  15.102   9.111   9.342
  102    H    VAL  14           H        VAL  14  15.334   9.956  11.397
  103    HA   VAL  14           HA       VAL  14  18.118  10.081  12.349
  104    HB   VAL  14           HB       VAL  14  16.581  12.060  12.777
  105   HG11  VAL  14          HG11      VAL  14  15.446  10.621  15.097
  106   HG12  VAL  14          HG12      VAL  14  14.757  11.914  14.113
  107   HG13  VAL  14          HG13      VAL  14  14.751  10.253  13.519
  108   HG21  VAL  14          HG21      VAL  14  18.263  12.407  14.198
  109   HG22  VAL  14          HG22      VAL  14  17.243  11.685  15.443
  110   HG23  VAL  14          HG23      VAL  14  18.403  10.687  14.566
  111    H    GLY  15           H        GLY  15  15.879   7.843  11.952
  112    HA2  GLY  15           HA2      GLY  15  15.286   6.671  14.383
  113    HA3  GLY  15           HA3      GLY  15  15.537   5.775  12.892
  114    H    ALA  16           H        ALA  16  18.304   6.557  12.582
  115    HA   ALA  16           HA       ALA  16  19.545   4.472  13.987
  116    HB1  ALA  16           HB1      ALA  16  21.615   6.140  13.297
  117    HB2  ALA  16           HB2      ALA  16  20.906   4.895  12.268
  118    HB3  ALA  16           HB3      ALA  16  20.360   6.566  12.133
  119    H    ILE  17           H        ILE  17  20.057   7.983  14.402
  120    HA   ILE  17           HA       ILE  17  21.566   7.799  16.745
  121    HB   ILE  17           HB       ILE  17  19.749  10.078  15.959
  122   HG12  ILE  17          HG12      ILE  17  22.644   9.561  15.246
  123   HG13  ILE  17          HG13      ILE  17  21.281   9.476  14.136
  124   HG21  ILE  17          HG21      ILE  17  21.389   9.659  18.228
  125   HG22  ILE  17          HG22      ILE  17  22.152  10.900  17.236
  126   HG23  ILE  17          HG23      ILE  17  20.488  11.107  17.780
  127   HD11  ILE  17          HD11      ILE  17  21.094  12.003  15.247
  128   HD12  ILE  17          HD12      ILE  17  22.823  11.756  14.998
  129   HD13  ILE  17          HD13      ILE  17  21.705  11.592  13.644
  130    H    ALA  18           H        ALA  18  18.074   8.157  16.286
  131    HA   ALA  18           HA       ALA  18  17.310   8.552  18.929
  132    HB1  ALA  18           HB1      ALA  18  15.692   8.852  17.227
  133    HB2  ALA  18           HB2      ALA  18  15.888   7.196  16.651
  134    HB3  ALA  18           HB3      ALA  18  15.132   7.502  18.215
  135    H    GLU  19           H        GLU  19  17.577   5.476  17.147
  136    HA   GLU  19           HA       GLU  19  16.875   3.786  19.256
  137    HB2  GLU  19           HB2      GLU  19  17.613   3.459  16.615
  138    HB3  GLU  19           HB3      GLU  19  18.922   2.677  17.489
  139    HG2  GLU  19           HG2      GLU  19  16.247   1.988  18.453
  140    HG3  GLU  19           HG3      GLU  19  16.580   1.494  16.794
  141    H    HIS  20           H        HIS  20  19.768   5.554  18.671
  142    HA   HIS  20           HA       HIS  20  21.356   3.939  20.496
  143    HB2  HIS  20           HB2      HIS  20  22.525   4.771  18.569
  144    HB3  HIS  20           HB3      HIS  20  21.988   6.418  18.887
  145    HD1  HIS  20           HD1      HIS  20  24.159   3.762  20.525
  146    HD2  HIS  20           HD2      HIS  20  23.766   7.892  20.306
  147    HE1  HIS  20           HE1      HIS  20  26.126   4.692  21.786
  148    H    PHE  21           H        PHE  21  19.507   6.872  20.477
  149    HA   PHE  21           HA       PHE  21  20.655   7.941  22.885
  150    HB2  PHE  21           HB2      PHE  21  18.800   8.821  20.867
  151    HB3  PHE  21           HB3      PHE  21  18.112   9.091  22.464
  152    HD1  PHE  21           HD1      PHE  21  21.011   9.818  20.299
  153    HD2  PHE  21           HD2      PHE  21  18.909  10.811  23.864
  154    HE1  PHE  21           HE1      PHE  21  22.387  11.844  20.541
  155    HE2  PHE  21           HE2      PHE  21  20.280  12.839  24.112
  156    HZ   PHE  21           HZ       PHE  21  22.021  13.358  22.449
  157    HN1  NH2  22           HN1      NH2  22  18.101   5.585  21.993
  158    HN2  NH2  22           HN2      NH2  22  17.406   5.341  23.625
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1   1.859  -1.295  -1.134
    2    HA2  GLY   1           HA2      GLY   1   1.969   0.645   0.471
    3    HA3  GLY   1           HA3      GLY   1   3.446  -0.307   0.417
    4    H    LEU   2           H        LEU   2   2.241   1.936  -2.037
    5    HA   LEU   2           HA       LEU   2   4.725   3.170  -2.430
    6    HB2  LEU   2           HB2      LEU   2   2.103   3.354  -3.498
    7    HB3  LEU   2           HB3      LEU   2   2.642   4.986  -3.110
    8    HG   LEU   2           HG       LEU   2   3.171   4.570  -5.392
    9   HD11  LEU   2          HD11      LEU   2   5.515   4.965  -5.424
   10   HD12  LEU   2          HD12      LEU   2   5.734   4.172  -3.864
   11   HD13  LEU   2          HD13      LEU   2   4.879   5.712  -3.958
   12   HD21  LEU   2          HD21      LEU   2   4.945   2.265  -4.803
   13   HD22  LEU   2          HD22      LEU   2   4.031   2.649  -6.261
   14   HD23  LEU   2          HD23      LEU   2   3.206   1.974  -4.855
   15    H    PHE   3           H        PHE   3   2.352   3.637  -0.008
   16    HA   PHE   3           HA       PHE   3   3.295   6.304   0.683
   17    HB2  PHE   3           HB2      PHE   3   1.033   6.292   1.061
   18    HB3  PHE   3           HB3      PHE   3   1.004   4.585   1.489
   19    HD1  PHE   3           HD2      PHE   3   1.547   7.986   2.713
   20    HD2  PHE   3           HD1      PHE   3   1.425   3.860   3.749
   21    HE1  PHE   3           HE2      PHE   3   1.471   8.591   5.096
   22    HE2  PHE   3           HE1      PHE   3   1.349   4.458   6.135
   23    HZ   PHE   3           HZ       PHE   3   1.373   6.826   6.811
   24    H    GLY   4           H        GLY   4   3.681   2.998   1.667
   25    HA2  GLY   4           HA2      GLY   4   4.972   3.752   4.175
   26    HA3  GLY   4           HA3      GLY   4   4.630   2.116   3.631
   27    H    VAL   5           H        VAL   5   5.842   3.047   0.941
   28    HA   VAL   5           HA       VAL   5   8.535   2.189   1.603
   29    HB   VAL   5           HB       VAL   5   7.271   2.771  -1.079
   30   HG11  VAL   5          HG11      VAL   5   9.223   1.587  -2.008
   31   HG12  VAL   5          HG12      VAL   5   9.670   3.080  -1.182
   32   HG13  VAL   5          HG13      VAL   5   9.930   1.524  -0.394
   33   HG21  VAL   5          HG21      VAL   5   6.829   0.644   0.636
   34   HG22  VAL   5          HG22      VAL   5   6.487   0.682  -1.094
   35   HG23  VAL   5          HG23      VAL   5   8.017   0.026  -0.512
   36    H    LEU   6           H        LEU   6   6.856   5.102   0.829
   37    HA   LEU   6           HA       LEU   6   9.303   6.535   0.163
   38    HB2  LEU   6           HB2      LEU   6   7.724   7.424  -1.183
   39    HB3  LEU   6           HB3      LEU   6   6.410   7.031  -0.076
   40    HG   LEU   6           HG       LEU   6   7.014   8.989   1.295
   41   HD11  LEU   6          HD11      LEU   6   8.570  10.448  -0.564
   42   HD12  LEU   6          HD12      LEU   6   9.376   8.905  -0.283
   43   HD13  LEU   6          HD13      LEU   6   8.992   9.959   1.078
   44   HD21  LEU   6          HD21      LEU   6   5.737  10.368   0.047
   45   HD22  LEU   6          HD22      LEU   6   5.544   8.931  -0.957
   46   HD23  LEU   6          HD23      LEU   6   6.731  10.161  -1.396
   47    H    ALA   7           H        ALA   7   6.863   6.394   2.709
   48    HA   ALA   7           HA       ALA   7   7.973   8.532   4.243
   49    HB1  ALA   7           HB1      ALA   7   5.587   7.716   4.337
   50    HB2  ALA   7           HB2      ALA   7   6.182   6.347   5.278
   51    HB3  ALA   7           HB3      ALA   7   6.369   7.989   5.895
   52    H    LYS   8           H        LYS   8   8.629   5.154   3.938
   53    HA   LYS   8           HA       LYS   8   9.772   4.578   6.414
   54    HB2  LYS   8           HB2      LYS   8   9.582   3.329   3.871
   55    HB3  LYS   8           HB3      LYS   8  11.272   3.277   4.355
   56    HG2  LYS   8           HG2      LYS   8   9.007   2.357   6.108
   57    HG3  LYS   8           HG3      LYS   8   9.914   1.294   5.029
   58    HD2  LYS   8           HD2      LYS   8  11.993   1.944   6.210
   59    HD3  LYS   8           HD3      LYS   8  11.021   2.898   7.333
   60    HE2  LYS   8           HE2      LYS   8  10.229   1.067   8.412
   61    HE3  LYS   8           HE3      LYS   8  10.217   0.079   6.952
   62    HZ1  LYS   8           HZ1      LYS   8  12.775   0.877   8.174
   63    HZ2  LYS   8           HZ2      LYS   8  12.432  -0.457   7.193
   64    HZ3  LYS   8           HZ3      LYS   8  11.911  -0.436   8.802
   65    H    VAL   9           H        VAL   9  11.129   6.171   3.583
   66    HA   VAL   9           HA       VAL   9  13.800   6.262   4.614
   67    HB   VAL   9           HB       VAL   9  12.625   7.985   2.432
   68   HG11  VAL   9          HG11      VAL   9  15.452   7.143   3.064
   69   HG12  VAL   9          HG12      VAL   9  14.959   8.038   1.625
   70   HG13  VAL   9          HG13      VAL   9  14.772   8.763   3.222
   71   HG21  VAL   9          HG21      VAL   9  12.170   5.700   1.860
   72   HG22  VAL   9          HG22      VAL   9  13.528   6.256   0.881
   73   HG23  VAL   9          HG23      VAL   9  13.814   5.218   2.278
   74    H    ALA  10           H        ALA  10  11.101   8.546   4.415
   75    HA   ALA  10           HA       ALA  10  12.334  10.851   5.307
   76    HB1  ALA  10           HB1      ALA  10   9.902  10.438   4.534
   77    HB2  ALA  10           HB2      ALA  10   9.581  10.147   6.244
   78    HB3  ALA  10           HB3      ALA  10  10.219  11.705   5.719
   79    H    ALA  11           H        ALA  11  11.382   8.020   7.109
   80    HA   ALA  11           HA       ALA  11  11.489   9.144   9.703
   81    HB1  ALA  11           HB1      ALA  11  10.587   7.157  10.110
   82    HB2  ALA  11           HB2      ALA  11  11.113   6.539   8.543
   83    HB3  ALA  11           HB3      ALA  11  12.193   6.449   9.934
   84    H    HIS  12           H        HIS  12  13.899   7.451   7.725
   85    HA   HIS  12           HA       HIS  12  15.971   8.401   9.594
   86    HB2  HIS  12           HB2      HIS  12  15.540   5.863   9.447
   87    HB3  HIS  12           HB3      HIS  12  16.291   5.963   7.857
   88    HD1  HIS  12           HD1      HIS  12  18.522   8.041   8.705
   89    HD2  HIS  12           HD2      HIS  12  17.598   4.505  10.680
   90    HE1  HIS  12           HE1      HIS  12  20.598   7.423   9.983
   91    HB2  I4G  13           HB2      I4G  13  17.421  11.847   6.871
   92    HB3  I4G  13           HB3      I4G  13  18.008  10.349   6.148
   93    HG   I4G  13           HG       I4G  13  15.884  10.114   4.857
   94   HD13  I4G  13          HD13      I4G  13  15.105  12.790   6.148
   95   HD11  I4G  13          HD11      I4G  13  14.219  11.992   4.835
   96   HD12  I4G  13          HD12      I4G  13  14.307  11.237   6.429
   97   HD23  I4G  13          HD23      I4G  13  17.779  11.370   3.847
   98   HD22  I4G  13          HD22      I4G  13  17.172  12.877   4.550
   99   HD21  I4G  13          HD21      I4G  13  16.229  12.031   3.311
  100    HA2  I4G  13           HA2      I4G  13  15.900  11.925   8.396
  101    HA3  I4G  13           HA3      I4G  13  15.007  10.516   8.999
  102    H    VAL  14           H        VAL  14  15.275  11.144  11.057
  103    HA   VAL  14           HA       VAL  14  17.874  10.411  12.182
  104    HB   VAL  14           HB       VAL  14  16.427  12.814  13.260
  105   HG11  VAL  14          HG11      VAL  14  18.172  13.032  14.664
  106   HG12  VAL  14          HG12      VAL  14  18.429  11.323  14.309
  107   HG13  VAL  14          HG13      VAL  14  19.349  12.553  13.442
  108   HG21  VAL  14          HG21      VAL  14  18.591  12.791  11.158
  109   HG22  VAL  14          HG22      VAL  14  16.930  13.348  10.952
  110   HG23  VAL  14          HG23      VAL  14  18.028  14.224  12.018
  111    H    GLY  15           H        GLY  15  15.130   9.229  12.001
  112    HA2  GLY  15           HA2      GLY  15  13.995   9.350  14.629
  113    HA3  GLY  15           HA3      GLY  15  13.557   8.220  13.355
  114    H    ALA  16           H        ALA  16  15.619   6.699  12.876
  115    HA   ALA  16           HA       ALA  16  15.755   4.878  14.942
  116    HB1  ALA  16           HB1      ALA  16  17.479   3.774  13.730
  117    HB2  ALA  16           HB2      ALA  16  16.385   4.490  12.547
  118    HB3  ALA  16           HB3      ALA  16  17.931   5.262  12.897
  119    H    ILE  17           H        ILE  17  17.749   7.693  14.356
  120    HA   ILE  17           HA       ILE  17  19.949   7.187  15.938
  121    HB   ILE  17           HB       ILE  17  18.482   9.806  15.606
  122   HG12  ILE  17          HG12      ILE  17  19.247   8.855  13.492
  123   HG13  ILE  17          HG13      ILE  17  20.221  10.259  13.912
  124   HG21  ILE  17          HG21      ILE  17  21.204  10.272  16.048
  125   HG22  ILE  17          HG22      ILE  17  19.863  10.638  17.133
  126   HG23  ILE  17          HG23      ILE  17  20.716   9.100  17.272
  127   HD11  ILE  17          HD11      ILE  17  21.982   8.765  14.735
  128   HD12  ILE  17          HD12      ILE  17  21.009   7.376  14.251
  129   HD13  ILE  17          HD13      ILE  17  21.612   8.497  13.032
  130    H    ALA  18           H        ALA  18  16.782   8.436  16.931
  131    HA   ALA  18           HA       ALA  18  17.380   8.898  19.627
  132    HB1  ALA  18           HB1      ALA  18  14.676   7.965  18.742
  133    HB2  ALA  18           HB2      ALA  18  15.099   9.166  19.963
  134    HB3  ALA  18           HB3      ALA  18  15.292   9.543  18.251
  135    H    GLU  19           H        GLU  19  15.801   6.061  18.143
  136    HA   GLU  19           HA       GLU  19  15.636   4.518  20.464
  137    HB2  GLU  19           HB2      GLU  19  14.915   4.200  17.817
  138    HB3  GLU  19           HB3      GLU  19  16.136   2.956  18.045
  139    HG2  GLU  19           HG2      GLU  19  14.479   2.802  20.290
  140    HG3  GLU  19           HG3      GLU  19  13.402   3.011  18.909
  141    H    HIS  20           H        HIS  20  18.332   5.277  18.467
  142    HA   HIS  20           HA       HIS  20  19.958   3.046  19.260
  143    HB2  HIS  20           HB2      HIS  20  20.227   5.382  17.510
  144    HB3  HIS  20           HB3      HIS  20  21.713   4.965  18.358
  145    HD1  HIS  20           HD1      HIS  20  22.709   2.576  17.873
  146    HD2  HIS  20           HD2      HIS  20  19.515   3.680  15.456
  147    HE1  HIS  20           HE1      HIS  20  22.732   0.959  15.947
  148    H    PHE  21           H        PHE  21  19.408   6.311  20.381
  149    HA   PHE  21           HA       PHE  21  21.625   6.195  22.252
  150    HB2  PHE  21           HB2      PHE  21  19.739   8.275  21.304
  151    HB3  PHE  21           HB3      PHE  21  20.317   8.444  22.958
  152    HD1  PHE  21           HD1      PHE  21  22.817   8.485  23.354
  153    HD2  PHE  21           HD2      PHE  21  21.070   8.907  19.496
  154    HE1  PHE  21           HE1      PHE  21  24.903   9.489  22.524
  155    HE2  PHE  21           HE2      PHE  21  23.154   9.912  18.659
  156    HZ   PHE  21           HZ       PHE  21  25.075  10.203  20.173
  157    HN1  NH2  22           HN1      NH2  22  18.114   5.496  22.097
  158    HN2  NH2  22           HN2      NH2  22  17.838   5.207  23.842
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1   0.071   0.662   1.077
    2    HA2  GLY   1           HA2      GLY   1   2.287  -0.233  -0.115
    3    HA3  GLY   1           HA3      GLY   1   1.196   0.862  -0.951
    4    H    LEU   2           H        LEU   2   2.163   2.550  -1.836
    5    HA   LEU   2           HA       LEU   2   4.856   3.217  -1.376
    6    HB2  LEU   2           HB2      LEU   2   2.590   4.446  -2.859
    7    HB3  LEU   2           HB3      LEU   2   4.024   5.428  -2.563
    8    HG   LEU   2           HG       LEU   2   4.308   2.731  -3.823
    9   HD11  LEU   2          HD11      LEU   2   3.339   3.299  -5.736
   10   HD12  LEU   2          HD12      LEU   2   4.178   4.849  -5.771
   11   HD13  LEU   2          HD13      LEU   2   2.651   4.694  -4.904
   12   HD21  LEU   2          HD21      LEU   2   6.152   4.055  -4.993
   13   HD22  LEU   2          HD22      LEU   2   6.366   3.708  -3.277
   14   HD23  LEU   2          HD23      LEU   2   5.843   5.312  -3.794
   15    H    PHE   3           H        PHE   3   1.898   4.299   0.093
   16    HA   PHE   3           HA       PHE   3   2.679   6.736   1.174
   17    HB2  PHE   3           HB2      PHE   3   0.477   5.019   1.415
   18    HB3  PHE   3           HB3      PHE   3   1.075   5.233   3.057
   19    HD1  PHE   3           HD2      PHE   3   0.430   7.324   0.031
   20    HD2  PHE   3           HD1      PHE   3   0.163   6.949   4.262
   21    HE1  PHE   3           HE2      PHE   3  -0.694   9.509   0.150
   22    HE2  PHE   3           HE1      PHE   3  -0.963   9.133   4.388
   23    HZ   PHE   3           HZ       PHE   3  -1.392  10.417   2.331
   24    H    GLY   4           H        GLY   4   3.381   3.464   2.227
   25    HA2  GLY   4           HA2      GLY   4   4.509   4.281   4.749
   26    HA3  GLY   4           HA3      GLY   4   4.572   2.671   4.048
   27    H    VAL   5           H        VAL   5   5.696   3.797   1.516
   28    HA   VAL   5           HA       VAL   5   8.460   3.594   2.272
   29    HB   VAL   5           HB       VAL   5   7.356   4.286  -0.450
   30   HG11  VAL   5          HG11      VAL   5   9.668   2.699  -0.605
   31   HG12  VAL   5          HG12      VAL   5   9.498   4.405  -1.024
   32   HG13  VAL   5          HG13      VAL   5  10.000   3.940   0.602
   33   HG21  VAL   5          HG21      VAL   5   7.649   1.647   0.939
   34   HG22  VAL   5          HG22      VAL   5   6.277   2.277   0.028
   35   HG23  VAL   5          HG23      VAL   5   7.736   1.763  -0.818
   36    H    LEU   6           H        LEU   6   6.263   6.159   1.361
   37    HA   LEU   6           HA       LEU   6   8.162   8.156   0.790
   38    HB2  LEU   6           HB2      LEU   6   5.385   7.950   0.865
   39    HB3  LEU   6           HB3      LEU   6   5.777   9.196   2.049
   40    HG   LEU   6           HG       LEU   6   6.576   9.214  -0.862
   41   HD11  LEU   6          HD11      LEU   6   4.800  10.534  -1.311
   42   HD12  LEU   6          HD12      LEU   6   4.799  11.271   0.291
   43   HD13  LEU   6          HD13      LEU   6   4.101   9.669   0.058
   44   HD21  LEU   6          HD21      LEU   6   7.044  11.684  -0.148
   45   HD22  LEU   6          HD22      LEU   6   8.252  10.431   0.139
   46   HD23  LEU   6          HD23      LEU   6   7.217  10.978   1.459
   47    H    ALA   7           H        ALA   7   6.542   7.237   3.804
   48    HA   ALA   7           HA       ALA   7   7.895   9.272   5.331
   49    HB1  ALA   7           HB1      ALA   7   6.478   6.938   6.554
   50    HB2  ALA   7           HB2      ALA   7   6.613   8.597   7.139
   51    HB3  ALA   7           HB3      ALA   7   5.567   8.228   5.767
   52    H    LYS   8           H        LYS   8   8.435   5.957   4.479
   53    HA   LYS   8           HA       LYS   8  10.123   5.136   6.543
   54    HB2  LYS   8           HB2      LYS   8   9.318   4.160   4.000
   55    HB3  LYS   8           HB3      LYS   8  11.073   4.075   4.063
   56    HG2  LYS   8           HG2      LYS   8  10.714   2.953   6.355
   57    HG3  LYS   8           HG3      LYS   8   9.057   2.709   5.798
   58    HD2  LYS   8           HD2      LYS   8   9.662   1.155   4.265
   59    HD3  LYS   8           HD3      LYS   8  11.191   1.957   3.900
   60    HE2  LYS   8           HE2      LYS   8  10.843   0.674   6.566
   61    HE3  LYS   8           HE3      LYS   8  11.122  -0.355   5.162
   62    HZ1  LYS   8           HZ1      LYS   8  13.126   0.968   4.691
   63    HZ2  LYS   8           HZ2      LYS   8  13.206   0.179   6.185
   64    HZ3  LYS   8           HZ3      LYS   8  12.879   1.837   6.121
   65    H    VAL   9           H        VAL   9  10.677   7.305   3.897
   66    HA   VAL   9           HA       VAL   9  13.465   7.206   3.713
   67    HB   VAL   9           HB       VAL   9  11.781   9.688   3.377
   68   HG11  VAL   9          HG11      VAL   9  13.614   9.977   1.529
   69   HG12  VAL   9          HG12      VAL   9  13.958  10.409   3.205
   70   HG13  VAL   9          HG13      VAL   9  14.529   8.872   2.555
   71   HG21  VAL   9          HG21      VAL   9  11.731   8.964   0.951
   72   HG22  VAL   9          HG22      VAL   9  12.249   7.374   1.511
   73   HG23  VAL   9          HG23      VAL   9  10.712   8.043   2.057
   74    H    ALA  10           H        ALA  10  11.363   9.103   5.840
   75    HA   ALA  10           HA       ALA  10  13.347  10.676   7.041
   76    HB1  ALA  10           HB1      ALA  10  11.457  11.565   7.806
   77    HB2  ALA  10           HB2      ALA  10  10.551  10.084   7.492
   78    HB3  ALA  10           HB3      ALA  10  11.433  10.274   9.007
   79    H    ALA  11           H        ALA  11  12.464   7.359   7.498
   80    HA   ALA  11           HA       ALA  11  14.088   7.182   9.935
   81    HB1  ALA  11           HB1      ALA  11  12.295   5.092   8.708
   82    HB2  ALA  11           HB2      ALA  11  13.086   5.012  10.283
   83    HB3  ALA  11           HB3      ALA  11  11.822   6.207   9.990
   84    H    HIS  12           H        HIS  12  14.656   7.113   6.769
   85    HA   HIS  12           HA       HIS  12  16.623   4.925   6.958
   86    HB2  HIS  12           HB2      HIS  12  14.684   4.875   5.194
   87    HB3  HIS  12           HB3      HIS  12  15.696   6.028   4.329
   88    HD1  HIS  12           HD1      HIS  12  16.182   2.612   5.951
   89    HD2  HIS  12           HD2      HIS  12  17.379   4.794   2.624
   90    HE1  HIS  12           HE1      HIS  12  17.637   1.056   4.613
   91    HB2  I4G  13           HB2      I4G  13  20.213   7.684   8.029
   92    HB3  I4G  13           HB3      I4G  13  20.186   7.478   6.277
   93    HG   I4G  13           HG       I4G  13  18.398   9.308   6.163
   94   HD13  I4G  13          HD13      I4G  13  19.163   9.704   9.111
   95   HD11  I4G  13          HD11      I4G  13  18.181  10.825   8.150
   96   HD12  I4G  13          HD12      I4G  13  17.574   9.207   8.515
   97   HD23  I4G  13          HD23      I4G  13  20.792   9.777   5.676
   98   HD22  I4G  13          HD22      I4G  13  21.092  10.095   7.392
   99   HD21  I4G  13          HD21      I4G  13  20.025  11.164   6.463
  100    HA2  I4G  13           HA2      I4G  13  17.612   5.296   8.402
  101    HA3  I4G  13           HA3      I4G  13  19.384   5.359   8.386
  102    H    VAL  14           H        VAL  14  16.985   5.453  10.341
  103    HA   VAL  14           HA       VAL  14  18.391   7.192  12.221
  104    HB   VAL  14           HB       VAL  14  15.392   7.345  12.048
  105   HG11  VAL  14          HG11      VAL  14  16.965   9.609  13.040
  106   HG12  VAL  14          HG12      VAL  14  15.534   8.832  13.722
  107   HG13  VAL  14          HG13      VAL  14  17.131   8.133  13.991
  108   HG21  VAL  14          HG21      VAL  14  17.394   9.155  10.701
  109   HG22  VAL  14          HG22      VAL  14  16.213   8.115   9.904
  110   HG23  VAL  14          HG23      VAL  14  15.670   9.492  10.862
  111    H    GLY  15           H        GLY  15  17.965   4.265  11.797
  112    HA2  GLY  15           HA2      GLY  15  16.172   3.213  13.680
  113    HA3  GLY  15           HA3      GLY  15  17.608   2.396  13.080
  114    H    ALA  16           H        ALA  16  19.711   3.237  14.072
  115    HA   ALA  16           HA       ALA  16  19.601   2.826  16.860
  116    HB1  ALA  16           HB1      ALA  16  21.547   2.559  15.069
  117    HB2  ALA  16           HB2      ALA  16  21.986   4.148  15.697
  118    HB3  ALA  16           HB3      ALA  16  21.871   2.769  16.791
  119    H    ILE  17           H        ILE  17  20.173   5.756  14.931
  120    HA   ILE  17           HA       ILE  17  20.673   7.565  16.952
  121    HB   ILE  17           HB       ILE  17  19.078   8.072  14.437
  122   HG12  ILE  17          HG12      ILE  17  22.012   8.602  14.890
  123   HG13  ILE  17          HG13      ILE  17  21.429   7.075  14.236
  124   HG21  ILE  17          HG21      ILE  17  18.747   9.882  15.965
  125   HG22  ILE  17          HG22      ILE  17  20.470   9.954  16.333
  126   HG23  ILE  17          HG23      ILE  17  19.890  10.412  14.732
  127   HD11  ILE  17          HD11      ILE  17  21.993   9.457  12.858
  128   HD12  ILE  17          HD12      ILE  17  21.333   7.953  12.214
  129   HD13  ILE  17          HD13      ILE  17  20.247   9.221  12.782
  130    H    ALA  18           H        ALA  18  17.634   6.148  15.972
  131    HA   ALA  18           HA       ALA  18  15.922   7.955  17.326
  132    HB1  ALA  18           HB1      ALA  18  14.241   6.114  17.122
  133    HB2  ALA  18           HB2      ALA  18  15.007   6.585  15.604
  134    HB3  ALA  18           HB3      ALA  18  15.515   5.110  16.427
  135    H    GLU  19           H        GLU  19  17.080   4.699  18.210
  136    HA   GLU  19           HA       GLU  19  15.902   4.592  20.740
  137    HB2  GLU  19           HB2      GLU  19  17.481   2.915  19.216
  138    HB3  GLU  19           HB3      GLU  19  18.507   3.275  20.597
  139    HG2  GLU  19           HG2      GLU  19  15.744   2.606  21.290
  140    HG3  GLU  19           HG3      GLU  19  16.638   1.306  20.505
  141    H    HIS  20           H        HIS  20  18.641   6.344  19.616
  142    HA   HIS  20           HA       HIS  20  19.859   6.701  22.197
  143    HB2  HIS  20           HB2      HIS  20  20.306   8.052  19.532
  144    HB3  HIS  20           HB3      HIS  20  21.238   8.423  20.979
  145    HD1  HIS  20           HD1      HIS  20  21.123   5.163  21.674
  146    HD2  HIS  20           HD2      HIS  20  22.759   7.119  18.394
  147    HE1  HIS  20           HE1      HIS  20  22.849   3.588  20.744
  148    H    PHE  21           H        PHE  21  18.069   8.822  19.963
  149    HA   PHE  21           HA       PHE  21  17.947  11.012  21.756
  150    HB2  PHE  21           HB2      PHE  21  16.677  10.291  19.167
  151    HB3  PHE  21           HB3      PHE  21  15.875  11.525  20.134
  152    HD1  PHE  21           HD2      PHE  21  19.054  10.638  18.473
  153    HD2  PHE  21           HD1      PHE  21  16.714  13.717  20.249
  154    HE1  PHE  21           HE2      PHE  21  20.631  12.323  17.621
  155    HE2  PHE  21           HE1      PHE  21  18.287  15.408  19.399
  156    HZ   PHE  21           HZ       PHE  21  20.249  14.711  18.084
  157    HN1  NH2  22           HN1      NH2  22  16.228   7.912  21.551
  158    HN2  NH2  22           HN2      NH2  22  14.894   8.273  22.689
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -0.378   3.480   0.502
    2    HA2  GLY   1           HA2      GLY   1   0.707   4.046  -1.730
    3    HA3  GLY   1           HA3      GLY   1   0.383   5.427  -0.693
    4    H    LEU   2           H        LEU   2   2.048   6.714  -1.373
    5    HA   LEU   2           HA       LEU   2   4.759   5.683  -1.410
    6    HB2  LEU   2           HB2      LEU   2   3.358   7.866  -2.601
    7    HB3  LEU   2           HB3      LEU   2   4.735   8.495  -1.700
    8    HG   LEU   2           HG       LEU   2   5.184   6.224  -3.574
    9   HD11  LEU   2          HD11      LEU   2   3.789   7.803  -4.841
   10   HD12  LEU   2          HD12      LEU   2   5.441   7.727  -5.453
   11   HD13  LEU   2          HD13      LEU   2   4.930   9.094  -4.463
   12   HD21  LEU   2          HD21      LEU   2   7.343   7.256  -3.814
   13   HD22  LEU   2          HD22      LEU   2   6.963   7.119  -2.097
   14   HD23  LEU   2          HD23      LEU   2   6.810   8.676  -2.913
   15    H    PHE   3           H        PHE   3   2.730   7.726   0.580
   16    HA   PHE   3           HA       PHE   3   4.617   8.991   2.161
   17    HB2  PHE   3           HB2      PHE   3   1.889   8.849   2.151
   18    HB3  PHE   3           HB3      PHE   3   2.276   7.984   3.635
   19    HD1  PHE   3           HD1      PHE   3   2.733  11.188   1.849
   20    HD2  PHE   3           HD2      PHE   3   2.946   9.132   5.570
   21    HE1  PHE   3           HE1      PHE   3   3.034  13.335   3.014
   22    HE2  PHE   3           HE2      PHE   3   3.247  11.275   6.741
   23    HZ   PHE   3           HZ       PHE   3   3.290  13.380   5.463
   24    H    GLY   4           H        GLY   4   3.310   5.719   2.429
   25    HA2  GLY   4           HA2      GLY   4   4.571   5.098   4.900
   26    HA3  GLY   4           HA3      GLY   4   3.914   3.939   3.754
   27    H    VAL   5           H        VAL   5   5.686   5.132   1.620
   28    HA   VAL   5           HA       VAL   5   7.921   3.377   2.079
   29    HB   VAL   5           HB       VAL   5   7.539   5.295  -0.219
   30   HG11  VAL   5          HG11      VAL   5   9.332   2.966   0.316
   31   HG12  VAL   5          HG12      VAL   5   8.860   3.351  -1.340
   32   HG13  VAL   5          HG13      VAL   5   9.718   4.546  -0.366
   33   HG21  VAL   5          HG21      VAL   5   5.644   4.077  -0.518
   34   HG22  VAL   5          HG22      VAL   5   6.786   2.963  -1.270
   35   HG23  VAL   5          HG23      VAL   5   6.256   2.694   0.390
   36    H    LEU   6           H        LEU   6   7.336   6.835   2.082
   37    HA   LEU   6           HA       LEU   6  10.044   7.658   2.101
   38    HB2  LEU   6           HB2      LEU   6   7.525   8.885   2.090
   39    HB3  LEU   6           HB3      LEU   6   8.332   9.463   3.546
   40    HG   LEU   6           HG       LEU   6   9.574   9.621   0.807
   41   HD11  LEU   6          HD11      LEU   6   7.309  10.912   1.344
   42   HD12  LEU   6          HD12      LEU   6   8.609  11.630   0.394
   43   HD13  LEU   6          HD13      LEU   6   8.442  12.030   2.104
   44   HD21  LEU   6          HD21      LEU   6  10.700   9.888   3.281
   45   HD22  LEU   6          HD22      LEU   6  10.274  11.554   2.888
   46   HD23  LEU   6          HD23      LEU   6  11.310  10.628   1.800
   47    H    ALA   7           H        ALA   7   7.764   6.793   4.636
   48    HA   ALA   7           HA       ALA   7   9.544   7.565   6.768
   49    HB1  ALA   7           HB1      ALA   7   7.857   6.684   8.254
   50    HB2  ALA   7           HB2      ALA   7   7.090   7.669   7.008
   51    HB3  ALA   7           HB3      ALA   7   7.028   5.909   6.904
   52    H    LYS   8           H        LYS   8   8.908   4.718   4.901
   53    HA   LYS   8           HA       LYS   8   9.821   2.728   6.632
   54    HB2  LYS   8           HB2      LYS   8   9.093   2.932   3.893
   55    HB3  LYS   8           HB3      LYS   8  10.649   2.116   3.965
   56    HG2  LYS   8           HG2      LYS   8   9.545   0.646   5.771
   57    HG3  LYS   8           HG3      LYS   8   8.026   1.277   5.130
   58    HD2  LYS   8           HD2      LYS   8   8.780   0.521   2.860
   59    HD3  LYS   8           HD3      LYS   8  10.140  -0.280   3.649
   60    HE2  LYS   8           HE2      LYS   8   7.540  -0.897   4.840
   61    HE3  LYS   8           HE3      LYS   8   7.696  -1.410   3.160
   62    HZ1  LYS   8           HZ1      LYS   8   8.886  -3.129   3.839
   63    HZ2  LYS   8           HZ2      LYS   8   8.752  -2.627   5.449
   64    HZ3  LYS   8           HZ3      LYS   8  10.050  -2.096   4.503
   65    H    VAL   9           H        VAL   9  11.599   4.796   4.375
   66    HA   VAL   9           HA       VAL   9  14.121   3.600   4.681
   67    HB   VAL   9           HB       VAL   9  13.612   6.523   4.130
   68   HG11  VAL   9          HG11      VAL   9  15.934   5.994   4.588
   69   HG12  VAL   9          HG12      VAL   9  15.894   4.691   3.398
   70   HG13  VAL   9          HG13      VAL   9  15.723   6.368   2.878
   71   HG21  VAL   9          HG21      VAL   9  12.493   5.852   2.321
   72   HG22  VAL   9          HG22      VAL   9  14.040   5.270   1.704
   73   HG23  VAL   9          HG23      VAL   9  12.961   4.168   2.559
   74    H    ALA  10           H        ALA  10  12.559   6.246   6.442
   75    HA   ALA  10           HA       ALA  10  14.753   6.935   8.064
   76    HB1  ALA  10           HB1      ALA  10  13.096   8.027   9.511
   77    HB2  ALA  10           HB2      ALA  10  12.842   8.406   7.807
   78    HB3  ALA  10           HB3      ALA  10  11.803   7.231   8.614
   79    H    ALA  11           H        ALA  11  12.489   4.321   8.213
   80    HA   ALA  11           HA       ALA  11  13.259   3.651  10.953
   81    HB1  ALA  11           HB1      ALA  11  11.493   2.005  10.883
   82    HB2  ALA  11           HB2      ALA  11  10.875   3.559  10.324
   83    HB3  ALA  11           HB3      ALA  11  11.254   2.290   9.159
   84    H    HIS  12           H        HIS  12  14.469   3.147   7.949
   85    HA   HIS  12           HA       HIS  12  15.638   0.559   8.730
   86    HB2  HIS  12           HB2      HIS  12  13.965   0.510   6.782
   87    HB3  HIS  12           HB3      HIS  12  15.197   1.369   5.862
   88    HD1  HIS  12           HD1      HIS  12  17.704  -0.146   6.719
   89    HD2  HIS  12           HD2      HIS  12  14.113  -1.996   5.750
   90    HE1  HIS  12           HE1      HIS  12  18.315  -2.494   6.056
   91    HB2  I4G  13           HB2      I4G  13  19.333   3.369   9.905
   92    HB3  I4G  13           HB3      I4G  13  19.759   2.214   8.641
   93    HG   I4G  13           HG       I4G  13  18.903   3.737   6.889
   94   HD13  I4G  13          HD13      I4G  13  18.153   5.621   9.196
   95   HD11  I4G  13          HD11      I4G  13  18.080   6.035   7.473
   96   HD12  I4G  13          HD12      I4G  13  17.013   4.791   8.129
   97   HD23  I4G  13          HD23      I4G  13  21.250   4.046   7.651
   98   HD22  I4G  13          HD22      I4G  13  20.714   5.208   8.874
   99   HD21  I4G  13          HD21      I4G  13  20.542   5.588   7.151
  100    HA2  I4G  13           HA2      I4G  13  16.316   1.514  10.336
  101    HA3  I4G  13           HA3      I4G  13  17.998   1.514  10.899
  102    H    VAL  14           H        VAL  14  17.062   2.190  12.848
  103    HA   VAL  14           HA       VAL  14  16.486   5.081  12.893
  104    HB   VAL  14           HB       VAL  14  15.786   3.202  15.131
  105   HG11  VAL  14          HG11      VAL  14  14.696   4.952  16.042
  106   HG12  VAL  14          HG12      VAL  14  15.777   5.902  15.021
  107   HG13  VAL  14          HG13      VAL  14  14.134   5.551  14.482
  108   HG21  VAL  14          HG21      VAL  14  14.387   2.168  13.711
  109   HG22  VAL  14          HG22      VAL  14  13.409   3.626  13.878
  110   HG23  VAL  14          HG23      VAL  14  14.502   3.450  12.505
  111    H    GLY  15           H        GLY  15  19.116   3.678  12.913
  112    HA2  GLY  15           HA2      GLY  15  20.255   3.677  15.478
  113    HA3  GLY  15           HA3      GLY  15  21.142   3.872  13.973
  114    H    ALA  16           H        ALA  16  20.923   6.126  12.980
  115    HA   ALA  16           HA       ALA  16  21.953   8.005  14.810
  116    HB1  ALA  16           HB1      ALA  16  20.790   8.987  12.269
  117    HB2  ALA  16           HB2      ALA  16  22.361   9.315  13.002
  118    HB3  ALA  16           HB3      ALA  16  22.082   7.792  12.159
  119    H    ILE  17           H        ILE  17  18.781   7.780  13.217
  120    HA   ILE  17           HA       ILE  17  17.611  10.090  14.162
  121    HB   ILE  17           HB       ILE  17  16.271   7.407  13.804
  122   HG12  ILE  17          HG12      ILE  17  16.617   9.727  11.892
  123   HG13  ILE  17          HG13      ILE  17  17.443   8.176  11.788
  124   HG21  ILE  17          HG21      ILE  17  14.900   8.924  15.117
  125   HG22  ILE  17          HG22      ILE  17  15.098  10.183  13.899
  126   HG23  ILE  17          HG23      ILE  17  14.213   8.710  13.507
  127   HD11  ILE  17          HD11      ILE  17  14.753   7.520  11.875
  128   HD12  ILE  17          HD12      ILE  17  14.834   8.945  10.838
  129   HD13  ILE  17          HD13      ILE  17  15.802   7.520  10.457
  130    H    ALA  18           H        ALA  18  18.263   7.111  15.856
  131    HA   ALA  18           HA       ALA  18  16.569   7.595  18.089
  132    HB1  ALA  18           HB1      ALA  18  17.272   5.356  17.648
  133    HB2  ALA  18           HB2      ALA  18  18.973   5.811  17.751
  134    HB3  ALA  18           HB3      ALA  18  17.963   5.843  19.196
  135    H    GLU  19           H        GLU  19  20.082   7.980  17.616
  136    HA   GLU  19           HA       GLU  19  20.610   9.079  20.148
  137    HB2  GLU  19           HB2      GLU  19  22.113   8.350  17.936
  138    HB3  GLU  19           HB3      GLU  19  22.350  10.089  18.037
  139    HG2  GLU  19           HG2      GLU  19  22.587   8.694  20.596
  140    HG3  GLU  19           HG3      GLU  19  23.789   8.227  19.395
  141    H    HIS  20           H        HIS  20  19.179  10.426  17.334
  142    HA   HIS  20           HA       HIS  20  19.745  13.173  18.027
  143    HB2  HIS  20           HB2      HIS  20  17.766  12.132  15.994
  144    HB3  HIS  20           HB3      HIS  20  18.446  13.754  16.082
  145    HD1  HIS  20           HD1      HIS  20  21.419  12.493  16.612
  146    HD2  HIS  20           HD2      HIS  20  18.855  11.793  13.418
  147    HE1  HIS  20           HE1      HIS  20  22.892  11.729  14.722
  148    H    PHE  21           H        PHE  21  16.945  11.001  18.097
  149    HA   PHE  21           HA       PHE  21  15.759  12.671  20.176
  150    HB2  PHE  21           HB2      PHE  21  14.102  13.469  18.907
  151    HB3  PHE  21           HB3      PHE  21  14.847  12.722  17.498
  152    HD1  PHE  21           HD1      PHE  21  12.361  12.252  20.175
  153    HD2  PHE  21           HD2      PHE  21  13.923  10.785  16.497
  154    HE1  PHE  21           HE1      PHE  21  10.426  10.748  19.957
  155    HE2  PHE  21           HE2      PHE  21  11.990   9.279  16.273
  156    HZ   PHE  21           HZ       PHE  21  10.238   9.259  18.004
  157    HN1  NH2  22           HN1      NH2  22  15.660   9.601  18.147
  158    HN2  NH2  22           HN2      NH2  22  15.002   8.529  19.421