*HEADER    SIGNALING PROTEIN                       11-DEC-17   6F7N              
*TITLE     NMR STRUCTURE OF EPHA2-SAM STAPLED PEPTIDES (S13STSHORT)              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EPHRIN TYPE-A RECEPTOR 2;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: EPITHELIAL CELL KINASE,TYROSINE-PROTEIN KINASE RECEPTOR ECK;
*COMPND   5 EC: 2.7.10.1;                                                        
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 OTHER_DETAILS: FRAGMENT 951-963 OF HUMAN EPHA2 RECEPTOR (UNIPROT     
*COMPND   8 ENTRY P29317) WITH Q955 AND A959 MUTATED IN MK8 (=(S)-2-(4'-PENTENYL)
*COMPND   9 ALANINE)                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    EPHRIN RECEPTOR, SAM DOMAIN, STAPLED PEPTIDE, SIGNALING PROTEIN       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    F.A.MERCURIO,M.LEONE                                                  
*REVDAT   2   15-NOV-23 6F7N    1
*REVDAT   1   01-AUG-18 6F7N    0                                                
# Restraints file 1: S13STshort.aco
   2 LEU   PHI    -315.0   -45.0
   2 LEU   PHI    -185.0    65.0
   2 LEU   CHI1     15.0   285.0
   2 LEU   CHI1   -285.0    45.0
   2 LEU   CHI1   -195.0    85.0
   2 LEU   CHI2   -325.0   -35.0
   2 LEU   CHI2    -85.0   205.0
   2 LEU   PSI      55.0   165.0
   2 LEU   PSI    -215.0    85.0
   3 PRO   PSI    -295.0     5.0
   3 PRO   PSI     -55.0   195.0
   4 GLY   PHI    -315.0   -45.0
   5 HIS   PHI    -315.0   -45.0
   5 HIS   PHI    -185.0    75.0
   5 HIS   CHI1   -335.0   -25.0
   5 HIS   CHI1   -205.0    95.0
   5 HIS   PSI     -85.0   205.0
   5 HIS   PSI     -55.0   285.0
   7 LYS   PHI    -185.0   -45.0
   7 LYS   CHI1   -325.0   -25.0
   7 LYS   CHI1   -205.0    95.0
   7 LYS   CHI2   -325.0   -35.0
   7 LYS   PSI     -85.0    25.0
   8 ARG   PHI    -315.0   -45.0
   8 ARG   PHI    -185.0    75.0
   8 ARG   CHI1   -325.0   -25.0
   8 ARG   CHI1   -205.0    95.0
   8 ARG   CHI2   -325.0   -35.0
   8 ARG   PSI     -85.0   115.0
   9 ILE   PHI    -155.0   -45.0
   9 ILE   CHI1    -75.0   -25.0
   9 ILE   CHI21  -285.0   -45.0
   9 ILE   CHI21   -85.0   195.0
   9 ILE   PSI     -85.0   -15.0
  11 TYR   PHI    -185.0   -45.0
  11 TYR   CHI1   -335.0   -25.0
  11 TYR   CHI1   -205.0    65.0
  11 TYR   CHI2   -335.0   -25.0
  11 TYR   CHI2   -155.0   155.0
  11 TYR   PSI     -85.0     5.0
  12 SER   PHI    -185.0   -45.0
  12 SER   PSI     -85.0    25.0
  13 LEU   PHI    -185.0   -45.0
  13 LEU   CHI1   -215.0   -15.0
  13 LEU   CHI2   -325.0   -35.0
  13 LEU   CHI2    -95.0   205.0
  13 LEU   PSI     -85.0   -15.0
  14 LEU   PHI    -315.0   -45.0
  14 LEU   PHI    -185.0    65.0
  14 LEU   CHI1     15.0   335.0
  14 LEU   CHI1   -215.0   105.0
  14 LEU   CHI2   -325.0   -35.0
  14 LEU   CHI2    -95.0   205.0
  14 LEU   PSI     -85.0   205.0
# Restraints file 2: S13STshort.upl
 11 TYR  H      11 TYR  HB2     3.92            #peak    41
 11 TYR  H      11 TYR  HB3     3.92            #peak    42
 12 SER  H      12 SER  HB2     3.61            #peak    66
 12 SER  H      12 SER  HB3     3.61            #peak    67
 11 TYR  H      12 SER  H       3.58            #peak    78
  9 ILE  H       9 ILE  HB      3.39            #peak    81
  8 ARG  H       8 ARG  HB2     3.64            #peak   133
  8 ARG  H       8 ARG  HB3     3.64            #peak   134
  8 ARG  H       9 ILE  H       3.61            #peak   182
  7 LYS  H       7 LYS  HB2     3.67            #peak   186
  7 LYS  H       7 LYS  HB3     3.67            #peak   187
 14 LEU  H      14 LEU  HB2     3.48            #peak   232
 14 LEU  H      14 LEU  HB3     3.48            #peak   233
 13 LEU  H      13 LEU  HB2     3.55            #peak   261
 13 LEU  H      13 LEU  HB3     3.55            #peak   262
 13 LEU  H      14 LEU  H       3.33            #peak   283
  2 LEU  H       2 LEU  HB2     3.48            #peak   286
  2 LEU  H       2 LEU  HB3     3.48            #peak   287
  7 LYS  H       8 ARG  H       3.61            #peak   307
 10 MLYS H      10 MLYS HB2     3.61            #peak   305
 10 MLYS H      10 MLYS HB3     3.61            #peak   306
 10 MLYS H      11 TYR  H       3.70            #peak   310
  9 ILE  H      10 MLYS H       3.24            #peak   309
  6 MLYS H       6 MLYS HB2     3.08            #peak   313
  6 MLYS H       6 MLYS HB3     3.08            #peak   314
  5 HIS  HA      8 ARG  H       3.92            #peak   316
  7 LYS  HA      9 ILE  H       4.20            #peak   318
  5 HIS  QB      6 MLYS H       4.68            #peak   319
  5 HIS  HA      6 MLYS H       3.42            #peak   320
  4 GLY  QA      6 MLYS H       4.98            #peak   321
 12 SER  HB2    13 LEU  H       4.07            #peak   322
 12 SER  HB3    13 LEU  H       4.07            #peak   323
 11 TYR  HA     12 SER  H       3.45            #peak   326
 11 TYR  HB2    12 SER  H       4.04            #peak   327
 11 TYR  HB3    12 SER  H       4.04            #peak   328
 10 MLYS HB2    11 TYR  H       3.67            #peak   332
 10 MLYS HB3    11 TYR  H       3.67            #peak   333
  8 ARG  HA     11 TYR  H       4.26            #peak   335
  7 LYS  HA     11 TYR  H       4.20            #peak   336
  9 ILE  HB     10 MLYS H       3.08            #peak   337
  7 LYS  HA     10 MLYS H       3.83            #peak   339
  8 ARG  HB2     9 ILE  H       4.60            #peak   341
  8 ARG  HB3     9 ILE  H       4.60            #peak   342
  6 MLYS H       7 LYS  H       3.52            #peak   360
  7 LYS  HA     10 MLYS HB2     3.92            #peak   364
  7 LYS  HA     10 MLYS HB3     3.92            #peak   366
  8 ARG  HA     11 TYR  HB2     3.58            #peak   367
  8 ARG  HA     11 TYR  HB3     3.58            #peak   368
  9 ILE  HA     12 SER  HB2     4.26            #peak   371
  9 ILE  HA     12 SER  HB3     4.26            #peak   372
  6 MLYS HB2     7 LYS  H       4.20            #peak   514
  6 MLYS HB3     7 LYS  H       4.20            #peak   515
  4 GLY  H       5 HIS  H       5.13            #peak   534
 12 SER  H      13 LEU  H       3.33            #peak   535
 11 TYR  HA     11 TYR  QD      6.64            #peak    49
 14 LEU  H      15 CON2 HN2     4.72            #peak   257
 14 LEU  HB2    15 CON2 HN2     5.50            #peak   344
 14 LEU  HB3    15 CON2 HN2     5.50            #peak   345
  3 PRO  QD      4 GLY  QA      6.55            #peak   361
  6 MLYS HE     10 MLYS HE      4.42            #peak   397
 10 MLYS HG2    10 MLYS HE      4.26            #peak   421
 10 MLYS HG3    10 MLYS HE      4.26            #peak   422
  9 ILE  H       9 ILE  HG13    4.32            #peak   480
  9 ILE  H       9 ILE  HG12    4.32            #peak   481
 10 MLYS H      10 MLYS HD2     5.50            #peak   502
 10 MLYS H      10 MLYS HD3     5.50            #peak   503
  2 LEU  H       3 PRO  QD      6.39            #peak   509
  6 MLYS HE     10 MLYS HG3     5.50            #peak   522
  6 MLYS HE     10 MLYS HG2     5.50            #peak   523
  6 MLYS QG     10 MLYS HE      6.38            #peak   524
 11 TYR  H      11 TYR  QD      7.63            #peak   530
  9 ILE  H       9 ILE  QG2     6.52            #peak    82
  9 ILE  HA      9 ILE  QD1     5.44            #peak   112
 14 LEU  HA     14 LEU  QQD     6.98            #peak   239
 13 LEU  HA     13 LEU  QQD     7.60            #peak   281
  2 LEU  HA      2 LEU  QQD     7.38            #peak   299
 10 MLYS H      10 MLYS QB1     4.16            #peak   331
 10 MLYS QB1    11 TYR  H       6.15            #peak   334
  9 ILE  QG2    10 MLYS H       5.65            #peak   340
 14 LEU  H      14 LEU  QQD     7.60            #peak   348
 13 LEU  H      13 LEU  QQD     7.60            #peak   349
  2 LEU  QQD     3 PRO  QD      8.48            #peak   379
  2 LEU  H       2 LEU  QQD     7.60            #peak   482
  6 MLYS QB1     9 ILE  QD1     7.39            #peak   483
  6 MLYS QB1     9 ILE  QG2     7.38            #peak   484
  6 MLYS QB1     9 ILE  HB      4.85            #peak   491
  5 HIS  QB      6 MLYS QB1     7.25            #peak   495
  5 HIS  HD2     6 MLYS QB1     5.99            #peak   497
  5 HIS  HD2     9 ILE  QD1     6.52            #peak   498
  6 MLYS QB1     9 ILE  H       5.56            #peak   507
 10 MLYS QB1    13 LEU  H       6.21            #peak   512
 10 MLYS QB1    14 LEU  H       6.37            #peak   513
  6 MLYS QB1     7 LYS  H       6.37            #peak   517
  6 MLYS QB1    10 MLYS H       4.10            #peak   518
  6 MLYS QB1     8 ARG  H       6.37            #peak   531
  6 MLYS QB1    11 TYR  H       6.37            #peak   533
 10 MLYS QB1    13 LEU  HB2     4.66            #peak   536
 10 MLYS QB1    13 LEU  HB3     4.66            #peak   537
 10 MLYS QB1    13 LEU  HG      5.28            #peak   538
 10 MLYS QB1    13 LEU  QQD     8.46            #peak   539
  6 MLYS CE     10 MLYS CE      1.34 
  2 LEU  QB      3 PRO  QD      6.17            #peak   378
  3 PRO  QB      4 GLY  QA      5.62            #peak   380
  5 HIS  QB      6 MLYS QB      6.16            #peak   496
  6 MLYS QB      7 LYS  H       3.37            #peak   515
  6 MLYS QD      7 LYS  H       4.94            #peak   516
  6 MLYS QD     10 MLYS HE      4.36            #peak   525
  6 MLYS HE     10 MLYS QG      4.70            #peak   522
  6 MLYS HE     10 MLYS QD      3.73            #peak   528
  7 LYS  H       7 LYS  QB      3.06            #peak   186
  7 LYS  HA      7 LYS  QG      3.42            #peak   504
  7 LYS  HA     10 MLYS QB      3.12            #peak   364
  7 LYS  QB      8 ARG  H       3.57            #peak   350
  8 ARG  H       8 ARG  QB      3.03            #peak   133
  8 ARG  H       8 ARG  QG      4.40            #peak   135
  9 ILE  HA      9 ILE  QG1     3.72            #peak   381
  9 ILE  HA     12 SER  QB      3.72            #peak   372
  9 ILE  QG1    10 MLYS H       5.34            #peak   532
 10 MLYS H      10 MLYS QB      3.00            #peak   306
 10 MLYS QB1    13 LEU  QB      3.95            #peak   537
 10 MLYS QB     11 TYR  H       3.14            #peak   333
 11 TYR  H      11 TYR  QB      3.38            #peak    41
 11 TYR  HA     14 LEU  QB      3.61            #peak   373
 11 TYR  QB     12 SER  H       3.35            #peak   328
 12 SER  H      12 SER  QB      3.09            #peak    66
 12 SER  QB     13 LEU  H       3.57            #peak   322
 13 LEU  H      13 LEU  QB      3.05            #peak   261
 13 LEU  QB     14 LEU  H       3.05            #peak   347
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   1           H1       ACE   1  -1.082  -0.689  -2.408
    2    H2   ACE   1           H2       ACE   1  -0.137   0.028  -3.736
    3    H3   ACE   1           H3       ACE   1   0.648  -1.074  -2.579
    4    H    LEU   2           H        LEU   2  -0.191   2.107  -3.330
    5    HA   LEU   2           HA       LEU   2   1.470   3.301  -1.474
    6    HB2  LEU   2           HB2      LEU   2  -0.669   4.184  -3.276
    7    HB3  LEU   2           HB3      LEU   2  -0.401   5.241  -1.890
    8    HG   LEU   2           HG       LEU   2   2.102   5.112  -2.658
    9   HD11  LEU   2          HD11      LEU   2   0.642   3.863  -4.864
   10   HD12  LEU   2          HD12      LEU   2   2.355   3.801  -4.454
   11   HD13  LEU   2          HD13      LEU   2   1.713   5.177  -5.352
   12   HD21  LEU   2          HD21      LEU   2   0.430   6.747  -4.487
   13   HD22  LEU   2          HD22      LEU   2   1.831   7.204  -3.518
   14   HD23  LEU   2          HD23      LEU   2   0.255   7.011  -2.751
   15    HA   PRO   3           HA       PRO   3  -0.602   3.420   2.391
   16    HB2  PRO   3           HB2      PRO   3  -0.022   5.914   3.295
   17    HB3  PRO   3           HB3      PRO   3   1.180   4.620   3.207
   18    HG2  PRO   3           HG2      PRO   3   0.691   6.883   1.310
   19    HG3  PRO   3           HG3      PRO   3   2.230   6.238   1.907
   20    HD2  PRO   3           HD2      PRO   3   1.241   5.618  -0.535
   21    HD3  PRO   3           HD3      PRO   3   2.216   4.481   0.416
   22    H    GLY   4           H        GLY   4  -2.793   3.295   1.940
   23    HA2  GLY   4           HA2      GLY   4  -4.496   5.271   2.733
   24    HA3  GLY   4           HA3      GLY   4  -4.280   5.581   1.016
   25    H    HIS   5           H        HIS   5  -4.569   2.554   2.869
   26    HA   HIS   5           HA       HIS   5  -6.579   1.647   0.951
   27    HB2  HIS   5           HB2      HIS   5  -4.501   0.375   2.461
   28    HB3  HIS   5           HB3      HIS   5  -6.045  -0.362   2.881
   29    HD1  HIS   5           HD1      HIS   5  -4.074   0.500  -0.256
   30    HD2  HIS   5           HD2      HIS   5  -6.840  -2.270   1.133
   31    HE1  HIS   5           HE1      HIS   5  -4.350  -1.168  -2.118
   32    H    MK8   6           H2       MK8   6  -6.352   2.842   4.252
   33    HB   MK8   6           HB       MK8   6  -7.029   3.329   6.603
   34    HBA  MK8   6           HBA      MK8   6  -7.655   4.626   5.624
   35    HD   MK8   6           HD       MK8   6 -10.081   5.528   8.206
   36    HDA  MK8   6           HDA      MK8   6  -8.575   6.041   7.485
   37    HE   MK8   6           HE       MK8   6  -9.593   6.471   5.408
   38    HG   MK8   6           HG       MK8   6  -9.925   3.360   7.015
   39    HGA  MK8   6           HGA      MK8   6  -8.629   3.609   8.160
   40    HB1  MK8   6           HB1      MK8   6  -9.622   1.389   6.342
   41   HB1A  MK8   6          HB1A      MK8   6  -8.930   0.496   5.025
   42   HB1B  MK8   6          HB1B      MK8   6  -7.910   0.968   6.372
   43    H    LYS   7           H        LYS   7  -8.210   4.499   3.353
   44    HA   LYS   7           HA       LYS   7 -10.949   5.196   3.026
   45    HB2  LYS   7           HB2      LYS   7  -8.362   6.131   2.046
   46    HB3  LYS   7           HB3      LYS   7  -9.626   6.238   0.829
   47    HG2  LYS   7           HG2      LYS   7 -10.712   7.890   1.906
   48    HG3  LYS   7           HG3      LYS   7 -10.349   7.233   3.504
   49    HD2  LYS   7           HD2      LYS   7  -8.610   8.606   3.748
   50    HD3  LYS   7           HD3      LYS   7  -7.945   8.135   2.181
   51    HE2  LYS   7           HE2      LYS   7  -8.331  10.420   1.949
   52    HE3  LYS   7           HE3      LYS   7  -9.740   9.684   1.188
   53    HZ1  LYS   7           HZ1      LYS   7 -10.762   9.940   3.535
   54    HZ2  LYS   7           HZ2      LYS   7 -10.680  11.287   2.517
   55    HZ3  LYS   7           HZ3      LYS   7  -9.551  11.098   3.760
   56    H    ARG   8           H        ARG   8  -8.792   2.992   1.428
   57    HA   ARG   8           HA       ARG   8 -10.309   2.693  -0.966
   58    HB2  ARG   8           HB2      ARG   8  -7.842   2.076  -0.537
   59    HB3  ARG   8           HB3      ARG   8  -8.477   0.595   0.171
   60    HG2  ARG   8           HG2      ARG   8  -9.791   0.739  -2.238
   61    HG3  ARG   8           HG3      ARG   8  -8.183   1.357  -2.618
   62    HD2  ARG   8           HD2      ARG   8  -7.168  -0.632  -2.193
   63    HD3  ARG   8           HD3      ARG   8  -8.328  -1.080  -0.943
   64    HE   ARG   8           HE       ARG   8  -8.444  -1.758  -3.711
   65   HH11  ARG   8          HH11      ARG   8 -11.750  -1.984  -1.465
   66   HH12  ARG   8          HH12      ARG   8 -10.392  -1.064  -0.910
   67   HH21  ARG   8          HH21      ARG   8 -11.656  -3.070  -3.481
   68   HH22  ARG   8          HH22      ARG   8 -10.226  -2.972  -4.454
   69    H    ILE   9           H        ILE   9 -10.286   1.094   2.163
   70    HA   ILE   9           HA       ILE   9 -12.248  -0.871   1.295
   71    HB   ILE   9           HB       ILE   9 -11.023  -0.427   4.021
   72   HG12  ILE   9          HG12      ILE   9  -9.400  -1.131   2.292
   73   HG13  ILE   9          HG13      ILE   9  -9.649  -2.374   3.514
   74   HG21  ILE   9          HG21      ILE   9 -11.891  -2.726   4.466
   75   HG22  ILE   9          HG22      ILE   9 -13.142  -1.498   4.276
   76   HG23  ILE   9          HG23      ILE   9 -12.797  -2.616   2.956
   77   HD11  ILE   9          HD11      ILE   9 -10.960  -2.340   0.806
   78   HD12  ILE   9          HD12      ILE   9  -9.524  -3.272   1.231
   79   HD13  ILE   9          HD13      ILE   9 -11.064  -3.618   2.017
   80    H    MK8  10           H2       MK8  10 -12.098   1.945   3.564
   81    HB   MK8  10           HB       MK8  10 -12.898   4.226   3.908
   82    HBA  MK8  10           HBA      MK8  10 -14.452   4.461   4.673
   83    HD   MK8  10           HD       MK8  10 -13.383   5.569   6.772
   84    HDA  MK8  10           HDA      MK8  10 -12.124   4.712   7.625
   85    HE   MK8  10           HE       MK8  10 -11.887   6.118   4.888
   86    HG   MK8  10           HG       MK8  10 -13.738   3.180   6.679
   87    HGA  MK8  10           HGA      MK8  10 -12.171   2.876   5.980
   88    HB1  MK8  10           HB1      MK8  10 -15.732   2.312   5.424
   89   HB1A  MK8  10          HB1A      MK8  10 -15.593   0.866   4.434
   90   HB1B  MK8  10          HB1B      MK8  10 -14.396   1.178   5.686
   91    H    TYR  11           H        TYR  11 -13.392   3.140   1.624
   92    HA   TYR  11           HA       TYR  11 -15.578   4.269   0.386
   93    HB2  TYR  11           HB2      TYR  11 -13.409   4.482  -0.608
   94    HB3  TYR  11           HB3      TYR  11 -13.260   2.739  -0.804
   95    HD1  TYR  11           HD1      TYR  11 -15.627   5.463  -1.801
   96    HD2  TYR  11           HD2      TYR  11 -13.560   1.922  -2.933
   97    HE1  TYR  11           HE1      TYR  11 -16.569   5.645  -4.065
   98    HE2  TYR  11           HE2      TYR  11 -14.494   2.094  -5.202
   99    HH   TYR  11           HH       TYR  11 -16.279   4.902  -6.246
  100    H    SER  12           H        SER  12 -14.721   0.876   0.675
  101    HA   SER  12           HA       SER  12 -16.475  -0.207  -1.209
  102    HB2  SER  12           HB2      SER  12 -14.621  -1.335   0.255
  103    HB3  SER  12           HB3      SER  12 -15.943  -1.612   1.390
  104    HG   SER  12           HG       SER  12 -16.147  -3.339   0.162
  105    H    LEU  13           H        LEU  13 -16.982   0.545   2.220
  106    HA   LEU  13           HA       LEU  13 -19.770  -0.246   2.065
  107    HB2  LEU  13           HB2      LEU  13 -18.577  -0.783   4.080
  108    HB3  LEU  13           HB3      LEU  13 -18.100   0.900   4.295
  109    HG   LEU  13           HG       LEU  13 -20.365   1.526   4.822
  110   HD11  LEU  13          HD11      LEU  13 -20.962  -1.112   3.685
  111   HD12  LEU  13          HD12      LEU  13 -21.941   0.354   3.738
  112   HD13  LEU  13          HD13      LEU  13 -21.867  -0.707   5.144
  113   HD21  LEU  13          HD21      LEU  13 -20.734  -0.128   6.795
  114   HD22  LEU  13          HD22      LEU  13 -19.301   0.901   6.773
  115   HD23  LEU  13          HD23      LEU  13 -19.179  -0.792   6.290
  116    H    LEU  14           H        LEU  14 -18.279   2.696   3.408
  117    HA   LEU  14           HA       LEU  14 -18.925   4.876   3.369
  118    HB2  LEU  14           HB2      LEU  14 -18.293   4.737   1.053
  119    HB3  LEU  14           HB3      LEU  14 -19.855   4.038   0.629
  120    HG   LEU  14           HG       LEU  14 -20.526   6.460   1.775
  121   HD11  LEU  14          HD11      LEU  14 -18.114   7.069   1.713
  122   HD12  LEU  14          HD12      LEU  14 -19.149   8.135   0.763
  123   HD13  LEU  14          HD13      LEU  14 -18.167   6.910  -0.043
  124   HD21  LEU  14          HD21      LEU  14 -20.081   6.311  -1.159
  125   HD22  LEU  14          HD22      LEU  14 -21.485   6.876  -0.253
  126   HD23  LEU  14          HD23      LEU  14 -21.183   5.148  -0.422
  127    HN1  NH2  15           HN1      NH2  15 -20.466   4.366   5.083
  128    HN2  NH2  15           HN2      NH2  15 -22.164   4.504   4.770
  Start of MODEL    2
    1    H1   ACE   1           H1       ACE   1  -4.349  13.246   5.619
    2    H2   ACE   1           H2       ACE   1  -2.745  12.731   6.192
    3    H3   ACE   1           H3       ACE   1  -2.946  14.324   5.423
    4    H    LEU   2           H        LEU   2  -1.917  11.252   4.978
    5    HA   LEU   2           HA       LEU   2  -1.890  11.589   2.082
    6    HB2  LEU   2           HB2      LEU   2  -0.243  10.199   4.074
    7    HB3  LEU   2           HB3      LEU   2  -0.478   9.311   2.570
    8    HG   LEU   2           HG       LEU   2   0.252  11.658   1.538
    9   HD11  LEU   2          HD11      LEU   2   1.925  11.585   4.022
   10   HD12  LEU   2          HD12      LEU   2   0.444  12.536   3.944
   11   HD13  LEU   2          HD13      LEU   2   1.766  12.870   2.825
   12   HD21  LEU   2          HD21      LEU   2   2.599  10.756   1.549
   13   HD22  LEU   2          HD22      LEU   2   1.362   9.634   0.984
   14   HD23  LEU   2          HD23      LEU   2   2.024   9.473   2.612
   15    HA   PRO   3           HA       PRO   3  -4.826   8.470   1.130
   16    HB2  PRO   3           HB2      PRO   3  -3.695   7.229  -1.004
   17    HB3  PRO   3           HB3      PRO   3  -4.379   8.857  -1.091
   18    HG2  PRO   3           HG2      PRO   3  -1.521   8.016  -0.797
   19    HG3  PRO   3           HG3      PRO   3  -2.213   9.288  -1.820
   20    HD2  PRO   3           HD2      PRO   3  -1.001   9.819   0.541
   21    HD3  PRO   3           HD3      PRO   3  -2.351  10.791  -0.079
   22    H    GLY   4           H        GLY   4  -5.071   6.061   0.694
   23    HA2  GLY   4           HA2      GLY   4  -3.064   4.208   1.334
   24    HA3  GLY   4           HA3      GLY   4  -3.932   4.603   2.811
   25    H    HIS   5           H        HIS   5  -4.674   2.447   2.960
   26    HA   HIS   5           HA       HIS   5  -6.636   1.654   0.918
   27    HB2  HIS   5           HB2      HIS   5  -4.586   0.207   2.190
   28    HB3  HIS   5           HB3      HIS   5  -6.093  -0.405   2.863
   29    HD1  HIS   5           HD1      HIS   5  -4.338   0.026  -0.454
   30    HD2  HIS   5           HD2      HIS   5  -7.519  -2.066   1.208
   31    HE1  HIS   5           HE1      HIS   5  -5.072  -1.599  -2.227
   32    H    MK8   6           H2       MK8   6  -6.319   2.724   4.239
   33    HB   MK8   6           HB       MK8   6  -6.974   3.209   6.648
   34    HBA  MK8   6           HBA      MK8   6  -7.493   4.539   5.640
   35    HD   MK8   6           HD       MK8   6  -8.443   5.941   7.821
   36    HDA  MK8   6           HDA      MK8   6  -9.352   5.913   6.322
   37    HE   MK8   6           HE       MK8   6 -10.418   5.758   9.159
   38    HG   MK8   6           HG       MK8   6  -9.889   3.455   6.887
   39    HGA  MK8   6           HGA      MK8   6  -8.668   3.536   8.131
   40    HB1  MK8   6           HB1      MK8   6  -9.102   0.551   5.003
   41   HB1A  MK8   6          HB1A      MK8   6  -7.864   0.814   6.224
   42   HB1B  MK8   6          HB1B      MK8   6  -9.510   1.397   6.461
   43    H    LYS   7           H        LYS   7  -8.127   4.455   3.389
   44    HA   LYS   7           HA       LYS   7 -10.841   5.270   3.115
   45    HB2  LYS   7           HB2      LYS   7  -8.869   6.770   2.796
   46    HB3  LYS   7           HB3      LYS   7  -8.506   5.910   1.306
   47    HG2  LYS   7           HG2      LYS   7  -9.858   7.268   0.206
   48    HG3  LYS   7           HG3      LYS   7 -11.216   6.700   1.180
   49    HD2  LYS   7           HD2      LYS   7 -10.836   8.404   2.819
   50    HD3  LYS   7           HD3      LYS   7  -9.326   8.887   2.039
   51    HE2  LYS   7           HE2      LYS   7 -10.392  10.009   0.366
   52    HE3  LYS   7           HE3      LYS   7 -11.799   8.950   0.402
   53    HZ1  LYS   7           HZ1      LYS   7 -11.168  10.984   2.470
   54    HZ2  LYS   7           HZ2      LYS   7 -12.562  10.030   2.391
   55    HZ3  LYS   7           HZ3      LYS   7 -12.274  11.205   1.209
   56    H    ARG   8           H        ARG   8  -8.772   3.043   1.414
   57    HA   ARG   8           HA       ARG   8 -10.340   2.833  -0.947
   58    HB2  ARG   8           HB2      ARG   8  -7.963   2.147  -0.816
   59    HB3  ARG   8           HB3      ARG   8  -8.423   0.823   0.245
   60    HG2  ARG   8           HG2      ARG   8  -8.885  -0.468  -1.490
   61    HG3  ARG   8           HG3      ARG   8 -10.006   0.733  -2.137
   62    HD2  ARG   8           HD2      ARG   8  -8.376   1.735  -3.449
   63    HD3  ARG   8           HD3      ARG   8  -7.056   1.092  -2.472
   64    HE   ARG   8           HE       ARG   8  -7.075  -0.798  -3.759
   65   HH11  ARG   8          HH11      ARG   8 -10.569  -0.060  -5.571
   66   HH12  ARG   8          HH12      ARG   8 -10.040   0.954  -4.268
   67   HH21  ARG   8          HH21      ARG   8  -9.271  -1.819  -6.254
   68   HH22  ARG   8          HH22      ARG   8  -7.759  -2.140  -5.474
   69    H    ILE   9           H        ILE   9 -10.336   1.169   2.149
   70    HA   ILE   9           HA       ILE   9 -12.381  -0.704   1.274
   71    HB   ILE   9           HB       ILE   9 -11.124  -0.336   3.996
   72   HG12  ILE   9          HG12      ILE   9 -10.634  -2.581   2.046
   73   HG13  ILE   9          HG13      ILE   9  -9.661  -1.115   2.036
   74   HG21  ILE   9          HG21      ILE   9 -12.996  -2.433   2.918
   75   HG22  ILE   9          HG22      ILE   9 -12.069  -2.619   4.406
   76   HG23  ILE   9          HG23      ILE   9 -13.269  -1.335   4.271
   77   HD11  ILE   9          HD11      ILE   9  -9.071  -1.556   4.400
   78   HD12  ILE   9          HD12      ILE   9  -9.939  -3.088   4.287
   79   HD13  ILE   9          HD13      ILE   9  -8.519  -2.802   3.282
   80    H    MK8  10           H2       MK8  10 -12.083   2.030   3.611
   81    HB   MK8  10           HB       MK8  10 -12.769   4.358   3.756
   82    HBA  MK8  10           HBA      MK8  10 -14.324   4.761   4.432
   83    HD   MK8  10           HD       MK8  10 -11.334   5.425   5.485
   84    HDA  MK8  10           HDA      MK8  10 -12.856   6.199   5.875
   85    HE   MK8  10           HE       MK8  10 -12.624   5.679   8.293
   86    HG   MK8  10           HG       MK8  10 -13.760   3.952   6.625
   87    HGA  MK8  10           HGA      MK8  10 -12.272   3.200   6.072
   88    HB1  MK8  10           HB1      MK8  10 -14.243   1.622   5.883
   89   HB1A  MK8  10          HB1A      MK8  10 -15.662   2.610   5.492
   90   HB1B  MK8  10          HB1B      MK8  10 -15.405   1.057   4.696
   91    H    TYR  11           H        TYR  11 -13.387   3.348   1.689
   92    HA   TYR  11           HA       TYR  11 -15.561   4.543   0.490
   93    HB2  TYR  11           HB2      TYR  11 -13.370   4.715  -0.496
   94    HB3  TYR  11           HB3      TYR  11 -13.304   2.979  -0.771
   95    HD1  TYR  11           HD1      TYR  11 -13.628   2.297  -2.944
   96    HD2  TYR  11           HD2      TYR  11 -15.590   5.825  -1.602
   97    HE1  TYR  11           HE1      TYR  11 -14.580   2.613  -5.189
   98    HE2  TYR  11           HE2      TYR  11 -16.549   6.152  -3.843
   99    HH   TYR  11           HH       TYR  11 -15.504   4.997  -6.475
  100    H    SER  12           H        SER  12 -14.779   1.134   0.737
  101    HA   SER  12           HA       SER  12 -16.635   0.167  -1.153
  102    HB2  SER  12           HB2      SER  12 -14.677  -1.053   0.067
  103    HB3  SER  12           HB3      SER  12 -15.889  -1.397   1.300
  104    HG   SER  12           HG       SER  12 -15.600  -2.439  -1.230
  105    H    LEU  13           H        LEU  13 -16.871   0.046   2.406
  106    HA   LEU  13           HA       LEU  13 -19.537  -0.697   2.555
  107    HB2  LEU  13           HB2      LEU  13 -17.521   0.322   4.349
  108    HB3  LEU  13           HB3      LEU  13 -19.106   0.987   4.742
  109    HG   LEU  13           HG       LEU  13 -18.795  -1.963   4.377
  110   HD11  LEU  13          HD11      LEU  13 -18.318  -0.638   7.024
  111   HD12  LEU  13          HD12      LEU  13 -16.992  -1.040   5.934
  112   HD13  LEU  13          HD13      LEU  13 -18.038  -2.316   6.557
  113   HD21  LEU  13          HD21      LEU  13 -20.438  -1.346   6.530
  114   HD22  LEU  13          HD22      LEU  13 -20.950  -1.807   4.907
  115   HD23  LEU  13          HD23      LEU  13 -20.791  -0.103   5.330
  116    H    LEU  14           H        LEU  14 -18.187   2.595   2.774
  117    HA   LEU  14           HA       LEU  14 -20.737   3.858   2.790
  118    HB2  LEU  14           HB2      LEU  14 -17.941   4.657   2.851
  119    HB3  LEU  14           HB3      LEU  14 -18.940   5.756   1.902
  120    HG   LEU  14           HG       LEU  14 -18.713   6.542   4.189
  121   HD11  LEU  14          HD11      LEU  14 -21.172   6.041   2.840
  122   HD12  LEU  14          HD12      LEU  14 -20.743   7.380   3.906
  123   HD13  LEU  14          HD13      LEU  14 -21.435   5.903   4.578
  124   HD21  LEU  14          HD21      LEU  14 -20.074   3.978   5.007
  125   HD22  LEU  14          HD22      LEU  14 -19.576   5.296   6.068
  126   HD23  LEU  14          HD23      LEU  14 -18.360   4.330   5.233
  127    HN1  NH2  15           HN1      NH2  15 -22.007   3.334   1.060
  128    HN2  NH2  15           HN2      NH2  15 -21.608   3.709  -0.585
  Start of MODEL    3
    1    H1   ACE   1           H1       ACE   1  -0.505   1.744  -5.476
    2    H2   ACE   1           H2       ACE   1  -1.797   2.957  -5.314
    3    H3   ACE   1           H3       ACE   1  -0.273   3.383  -6.128
    4    H    LEU   2           H        LEU   2  -0.959   5.046  -4.278
    5    HA   LEU   2           HA       LEU   2   1.153   5.021  -2.444
    6    HB2  LEU   2           HB2      LEU   2  -1.199   6.683  -2.976
    7    HB3  LEU   2           HB3      LEU   2  -0.658   6.716  -1.301
    8    HG   LEU   2           HG       LEU   2   1.606   7.376  -2.119
    9   HD11  LEU   2          HD11      LEU   2   0.152   7.568  -4.752
   10   HD12  LEU   2          HD12      LEU   2   1.531   6.538  -4.367
   11   HD13  LEU   2          HD13      LEU   2   1.729   8.289  -4.424
   12   HD21  LEU   2          HD21      LEU   2  -0.035   9.504  -3.238
   13   HD22  LEU   2          HD22      LEU   2   1.014   9.507  -1.819
   14   HD23  LEU   2          HD23      LEU   2  -0.641   8.907  -1.693
   15    HA   PRO   3           HA       PRO   3  -0.215   2.703   1.021
   16    HB2  PRO   3           HB2      PRO   3   0.658   4.200   3.113
   17    HB3  PRO   3           HB3      PRO   3   1.749   3.282   2.067
   18    HG2  PRO   3           HG2      PRO   3   1.074   6.198   2.005
   19    HG3  PRO   3           HG3      PRO   3   2.653   5.411   1.825
   20    HD2  PRO   3           HD2      PRO   3   1.224   6.309  -0.291
   21    HD3  PRO   3           HD3      PRO   3   2.281   4.886  -0.387
   22    H    GLY   4           H        GLY   4  -2.383   2.592   1.274
   23    HA2  GLY   4           HA2      GLY   4  -3.718   3.955   3.279
   24    HA3  GLY   4           HA3      GLY   4  -4.036   4.851   1.801
   25    H    HIS   5           H        HIS   5  -4.874   2.156   3.700
   26    HA   HIS   5           HA       HIS   5  -6.643   1.163   1.562
   27    HB2  HIS   5           HB2      HIS   5  -4.776  -0.243   3.165
   28    HB3  HIS   5           HB3      HIS   5  -6.381  -0.738   3.693
   29    HD1  HIS   5           HD1      HIS   5  -4.231  -0.640   0.589
   30    HD2  HIS   5           HD2      HIS   5  -7.680  -2.470   2.008
   31    HE1  HIS   5           HE1      HIS   5  -4.831  -2.371  -1.134
   32    H    MK8   6           H2       MK8   6  -6.482   2.535   4.798
   33    HB   MK8   6           HB       MK8   6  -7.277   3.266   7.085
   34    HBA  MK8   6           HBA      MK8   6  -7.674   4.528   5.942
   35    HD   MK8   6           HD       MK8   6  -8.662   6.106   8.000
   36    HDA  MK8   6           HDA      MK8   6  -9.465   6.053   6.441
   37    HE   MK8   6           HE       MK8   6 -10.733   6.137   9.191
   38    HG   MK8   6           HG       MK8   6 -10.195   3.667   7.085
   39    HGA  MK8   6           HGA      MK8   6  -9.063   3.740   8.412
   40    HB1  MK8   6           HB1      MK8   6  -9.345   0.517   5.551
   41   HB1A  MK8   6          HB1A      MK8   6  -8.292   0.952   6.888
   42   HB1B  MK8   6          HB1B      MK8   6  -9.947   1.556   6.811
   43    H    LYS   7           H        LYS   7  -8.119   4.271   3.646
   44    HA   LYS   7           HA       LYS   7 -10.759   5.194   3.111
   45    HB2  LYS   7           HB2      LYS   7  -8.250   6.161   2.625
   46    HB3  LYS   7           HB3      LYS   7  -8.735   5.631   1.021
   47    HG2  LYS   7           HG2      LYS   7 -10.865   6.964   1.388
   48    HG3  LYS   7           HG3      LYS   7 -10.044   7.677   2.779
   49    HD2  LYS   7           HD2      LYS   7  -8.230   8.433   1.302
   50    HD3  LYS   7           HD3      LYS   7  -9.081   7.743  -0.082
   51    HE2  LYS   7           HE2      LYS   7 -10.355   9.555  -0.273
   52    HE3  LYS   7           HE3      LYS   7 -10.834   9.457   1.420
   53    HZ1  LYS   7           HZ1      LYS   7  -8.238  10.395   1.409
   54    HZ2  LYS   7           HZ2      LYS   7  -9.640  11.273   1.761
   55    HZ3  LYS   7           HZ3      LYS   7  -9.029  11.252   0.184
   56    H    ARG   8           H        ARG   8  -8.721   2.705   1.777
   57    HA   ARG   8           HA       ARG   8 -10.149   2.341  -0.654
   58    HB2  ARG   8           HB2      ARG   8  -7.787   1.541  -0.091
   59    HB3  ARG   8           HB3      ARG   8  -8.557   0.217   0.773
   60    HG2  ARG   8           HG2      ARG   8  -9.120  -0.861  -1.116
   61    HG3  ARG   8           HG3      ARG   8  -9.496   0.630  -1.981
   62    HD2  ARG   8           HD2      ARG   8  -7.357   0.899  -2.725
   63    HD3  ARG   8           HD3      ARG   8  -6.652   0.102  -1.319
   64    HE   ARG   8           HE       ARG   8  -6.679  -1.850  -2.492
   65   HH11  ARG   8          HH11      ARG   8  -9.360  -0.725  -5.244
   66   HH12  ARG   8          HH12      ARG   8  -8.983   0.331  -3.924
   67   HH21  ARG   8          HH21      ARG   8  -8.326  -2.763  -5.414
   68   HH22  ARG   8          HH22      ARG   8  -7.167  -3.251  -4.226
   69    H    ILE   9           H        ILE   9 -10.435   0.996   2.582
   70    HA   ILE   9           HA       ILE   9 -12.527  -0.845   1.756
   71    HB   ILE   9           HB       ILE   9 -11.441  -0.272   4.516
   72   HG12  ILE   9          HG12      ILE   9 -10.893  -2.649   2.732
   73   HG13  ILE   9          HG13      ILE   9  -9.825  -1.255   2.842
   74   HG21  ILE   9          HG21      ILE   9 -13.441  -1.236   5.020
   75   HG22  ILE   9          HG22      ILE   9 -13.546  -2.086   3.480
   76   HG23  ILE   9          HG23      ILE   9 -12.491  -2.697   4.754
   77   HD11  ILE   9          HD11      ILE   9  -9.730  -3.531   4.394
   78   HD12  ILE   9          HD12      ILE   9  -8.906  -2.005   4.716
   79   HD13  ILE   9          HD13      ILE   9 -10.475  -2.330   5.448
   80    H    MK8  10           H2       MK8  10 -12.228   2.104   3.824
   81    HB   MK8  10           HB       MK8  10 -12.787   4.462   3.742
   82    HBA  MK8  10           HBA      MK8  10 -14.357   4.998   4.282
   83    HD   MK8  10           HD       MK8  10 -11.412   5.587   5.492
   84    HDA  MK8  10           HDA      MK8  10 -12.914   6.461   5.718
   85    HE   MK8  10           HE       MK8  10 -12.875   6.110   8.177
   86    HG   MK8  10           HG       MK8  10 -13.980   4.319   6.560
   87    HGA  MK8  10           HGA      MK8  10 -12.502   3.458   6.160
   88    HB1  MK8  10           HB1      MK8  10 -14.574   1.995   5.962
   89   HB1A  MK8  10          HB1A      MK8  10 -15.899   3.020   5.382
   90   HB1B  MK8  10          HB1B      MK8  10 -15.674   1.393   4.735
   91    H    TYR  11           H        TYR  11 -13.318   3.274   1.708
   92    HA   TYR  11           HA       TYR  11 -15.340   4.454   0.255
   93    HB2  TYR  11           HB2      TYR  11 -13.086   4.413  -0.590
   94    HB3  TYR  11           HB3      TYR  11 -13.104   2.657  -0.694
   95    HD1  TYR  11           HD1      TYR  11 -15.213   5.494  -1.931
   96    HD2  TYR  11           HD2      TYR  11 -13.286   1.805  -2.821
   97    HE1  TYR  11           HE1      TYR  11 -16.009   5.644  -4.253
   98    HE2  TYR  11           HE2      TYR  11 -14.078   1.946  -5.146
   99    HH   TYR  11           HH       TYR  11 -15.483   4.795  -6.439
  100    H    SER  12           H        SER  12 -14.776   1.051   0.884
  101    HA   SER  12           HA       SER  12 -16.558  -0.006  -1.026
  102    HB2  SER  12           HB2      SER  12 -14.774  -1.229   0.378
  103    HB3  SER  12           HB3      SER  12 -16.006  -1.305   1.636
  104    HG   SER  12           HG       SER  12 -16.335  -3.127   0.516
  105    H    LEU  13           H        LEU  13 -17.033   0.305   2.499
  106    HA   LEU  13           HA       LEU  13 -19.742  -0.297   2.539
  107    HB2  LEU  13           HB2      LEU  13 -17.846   1.064   4.332
  108    HB3  LEU  13           HB3      LEU  13 -19.546   1.450   4.595
  109    HG   LEU  13           HG       LEU  13 -18.882  -1.421   4.399
  110   HD11  LEU  13          HD11      LEU  13 -18.405  -0.992   7.042
  111   HD12  LEU  13          HD12      LEU  13 -17.565   0.370   6.303
  112   HD13  LEU  13          HD13      LEU  13 -17.162  -1.277   5.825
  113   HD21  LEU  13          HD21      LEU  13 -20.424  -0.117   6.588
  114   HD22  LEU  13          HD22      LEU  13 -20.685  -1.669   5.792
  115   HD23  LEU  13          HD23      LEU  13 -21.119  -0.170   4.968
  116    H    LEU  14           H        LEU  14 -18.115   2.738   1.868
  117    HA   LEU  14           HA       LEU  14 -20.504   4.320   1.915
  118    HB2  LEU  14           HB2      LEU  14 -18.413   5.385   2.377
  119    HB3  LEU  14           HB3      LEU  14 -17.736   4.835   0.846
  120    HG   LEU  14           HG       LEU  14 -19.313   6.317  -0.347
  121   HD11  LEU  14          HD11      LEU  14 -20.098   8.146   1.556
  122   HD12  LEU  14          HD12      LEU  14 -20.403   6.593   2.334
  123   HD13  LEU  14          HD13      LEU  14 -21.132   6.954   0.768
  124   HD21  LEU  14          HD21      LEU  14 -18.048   8.247  -0.053
  125   HD22  LEU  14          HD22      LEU  14 -16.963   6.968   0.489
  126   HD23  LEU  14          HD23      LEU  14 -17.823   7.957   1.671
  127    HN1  NH2  15           HN1      NH2  15 -21.967   4.627   0.354
  128    HN2  NH2  15           HN2      NH2  15 -21.791   4.154  -1.302
  Start of MODEL    4
    1    H1   ACE   1           H1       ACE   1  -4.596  13.682  -0.749
    2    H2   ACE   1           H2       ACE   1  -4.787  14.904   0.531
    3    H3   ACE   1           H3       ACE   1  -3.164  14.313   0.100
    4    H    LEU   2           H        LEU   2  -2.354  12.966   1.467
    5    HA   LEU   2           HA       LEU   2  -2.110  11.238   2.930
    6    HB2  LEU   2           HB2      LEU   2  -3.174  12.840   4.408
    7    HB3  LEU   2           HB3      LEU   2  -4.766  12.305   3.874
    8    HG   LEU   2           HG       LEU   2  -3.762   9.978   4.813
    9   HD11  LEU   2          HD11      LEU   2  -2.796  11.925   6.860
   10   HD12  LEU   2          HD12      LEU   2  -1.730  11.432   5.544
   11   HD13  LEU   2          HD13      LEU   2  -2.388  10.222   6.645
   12   HD21  LEU   2          HD21      LEU   2  -5.253  10.227   6.596
   13   HD22  LEU   2          HD22      LEU   2  -5.914  11.260   5.328
   14   HD23  LEU   2          HD23      LEU   2  -5.016  11.974   6.671
   15    HA   PRO   3           HA       PRO   3  -4.912   8.502   0.409
   16    HB2  PRO   3           HB2      PRO   3  -2.910   6.980  -0.612
   17    HB3  PRO   3           HB3      PRO   3  -3.456   8.481  -1.367
   18    HG2  PRO   3           HG2      PRO   3  -1.091   8.005   0.407
   19    HG3  PRO   3           HG3      PRO   3  -1.202   8.972  -1.075
   20    HD2  PRO   3           HD2      PRO   3  -1.260  10.080   1.395
   21    HD3  PRO   3           HD3      PRO   3  -2.143  10.771   0.017
   22    H    GLY   4           H        GLY   4  -4.509   5.916   0.290
   23    HA2  GLY   4           HA2      GLY   4  -3.274   4.311   1.979
   24    HA3  GLY   4           HA3      GLY   4  -4.367   5.113   3.098
   25    H    HIS   5           H        HIS   5  -4.461   2.390   2.787
   26    HA   HIS   5           HA       HIS   5  -6.562   1.714   0.914
   27    HB2  HIS   5           HB2      HIS   5  -4.560   0.288   2.367
   28    HB3  HIS   5           HB3      HIS   5  -6.131  -0.386   2.787
   29    HD1  HIS   5           HD1      HIS   5  -3.649  -0.207   0.056
   30    HD2  HIS   5           HD2      HIS   5  -7.555  -1.521   0.587
   31    HE1  HIS   5           HE1      HIS   5  -4.158  -1.631  -1.953
   32    H    MK8   6           H2       MK8   6  -6.358   2.791   4.241
   33    HB   MK8   6           HB       MK8   6  -7.087   3.331   6.590
   34    HBA  MK8   6           HBA      MK8   6  -7.655   4.616   5.551
   35    HD   MK8   6           HD       MK8   6  -8.603   5.944   7.809
   36    HDA  MK8   6           HDA      MK8   6  -9.474   5.976   6.287
   37    HE   MK8   6           HE       MK8   6 -10.620   5.780   9.076
   38    HG   MK8   6           HG       MK8   6 -10.035   3.507   6.732
   39    HGA  MK8   6           HGA      MK8   6  -8.859   3.522   8.020
   40    HB1  MK8   6           HB1      MK8   6  -7.951   0.941   6.293
   41   HB1A  MK8   6          HB1A      MK8   6  -9.647   1.421   6.315
   42   HB1B  MK8   6          HB1B      MK8   6  -9.018   0.518   4.963
   43    H    LYS   7           H        LYS   7  -8.176   4.413   3.225
   44    HA   LYS   7           HA       LYS   7 -10.892   5.206   2.886
   45    HB2  LYS   7           HB2      LYS   7  -9.171   6.827   2.493
   46    HB3  LYS   7           HB3      LYS   7  -8.387   5.793   1.307
   47    HG2  LYS   7           HG2      LYS   7  -9.906   6.284  -0.334
   48    HG3  LYS   7           HG3      LYS   7 -11.194   6.651   0.817
   49    HD2  LYS   7           HD2      LYS   7  -8.825   8.418   0.887
   50    HD3  LYS   7           HD3      LYS   7  -9.850   8.535  -0.547
   51    HE2  LYS   7           HE2      LYS   7 -11.527   9.508   0.588
   52    HE3  LYS   7           HE3      LYS   7 -11.317   8.461   1.990
   53    HZ1  LYS   7           HZ1      LYS   7  -9.244   9.867   2.423
   54    HZ2  LYS   7           HZ2      LYS   7 -10.749  10.555   2.766
   55    HZ3  LYS   7           HZ3      LYS   7  -9.927  10.984   1.352
   56    H    ARG   8           H        ARG   8  -8.769   2.947   1.275
   57    HA   ARG   8           HA       ARG   8 -10.330   2.596  -1.068
   58    HB2  ARG   8           HB2      ARG   8  -8.251   0.871   0.273
   59    HB3  ARG   8           HB3      ARG   8  -9.029   0.422  -1.240
   60    HG2  ARG   8           HG2      ARG   8  -7.564   3.020  -0.883
   61    HG3  ARG   8           HG3      ARG   8  -6.771   1.536  -1.417
   62    HD2  ARG   8           HD2      ARG   8  -7.980   1.464  -3.409
   63    HD3  ARG   8           HD3      ARG   8  -9.226   2.553  -2.799
   64    HE   ARG   8           HE       ARG   8  -6.702   3.850  -2.919
   65   HH11  ARG   8          HH11      ARG   8  -9.095   3.961  -6.127
   66   HH12  ARG   8          HH12      ARG   8  -9.358   2.771  -4.896
   67   HH21  ARG   8          HH21      ARG   8  -7.381   5.468  -5.918
   68   HH22  ARG   8          HH22      ARG   8  -6.347   5.422  -4.532
   69    H    ILE   9           H        ILE   9 -10.321   1.073   2.101
   70    HA   ILE   9           HA       ILE   9 -12.339  -0.860   1.304
   71    HB   ILE   9           HB       ILE   9 -11.108  -0.355   4.017
   72   HG12  ILE   9          HG12      ILE   9 -10.556  -2.636   2.118
   73   HG13  ILE   9          HG13      ILE   9  -9.581  -1.171   2.154
   74   HG21  ILE   9          HG21      ILE   9 -12.744  -1.635   4.804
   75   HG22  ILE   9          HG22      ILE   9 -13.357  -1.944   3.181
   76   HG23  ILE   9          HG23      ILE   9 -12.085  -2.966   3.853
   77   HD11  ILE   9          HD11      ILE   9  -8.355  -2.087   3.744
   78   HD12  ILE   9          HD12      ILE   9  -9.763  -2.075   4.805
   79   HD13  ILE   9          HD13      ILE   9  -9.423  -3.488   3.807
   80    H    MK8  10           H2       MK8  10 -12.105   2.017   3.475
   81    HB   MK8  10           HB       MK8  10 -12.807   4.311   3.615
   82    HBA  MK8  10           HBA      MK8  10 -14.378   4.718   4.250
   83    HD   MK8  10           HD       MK8  10 -11.422   5.411   5.380
   84    HDA  MK8  10           HDA      MK8  10 -12.962   6.176   5.717
   85    HE   MK8  10           HE       MK8  10 -12.798   5.676   8.147
   86    HG   MK8  10           HG       MK8  10 -13.864   3.925   6.463
   87    HGA  MK8  10           HGA      MK8  10 -12.357   3.182   5.951
   88    HB1  MK8  10           HB1      MK8  10 -15.503   1.042   4.525
   89   HB1A  MK8  10          HB1A      MK8  10 -14.331   1.569   5.725
   90   HB1B  MK8  10          HB1B      MK8  10 -15.715   2.598   5.324
   91    H    TYR  11           H        TYR  11 -13.399   3.218   1.509
   92    HA   TYR  11           HA       TYR  11 -15.590   4.317   0.249
   93    HB2  TYR  11           HB2      TYR  11 -13.372   4.477  -0.709
   94    HB3  TYR  11           HB3      TYR  11 -13.311   2.735  -0.956
   95    HD1  TYR  11           HD1      TYR  11 -15.337   5.718  -1.924
   96    HD2  TYR  11           HD2      TYR  11 -13.884   1.875  -3.031
   97    HE1  TYR  11           HE1      TYR  11 -16.290   6.013  -4.173
   98    HE2  TYR  11           HE2      TYR  11 -14.831   2.160  -5.283
   99    HH   TYR  11           HH       TYR  11 -15.706   3.672  -6.734
  100    H    SER  12           H        SER  12 -14.749   0.942   0.665
  101    HA   SER  12           HA       SER  12 -16.554  -0.150  -1.206
  102    HB2  SER  12           HB2      SER  12 -15.722  -2.128  -0.507
  103    HB3  SER  12           HB3      SER  12 -14.618  -1.164   0.473
  104    HG   SER  12           HG       SER  12 -15.524  -2.301   2.018
  105    H    LEU  13           H        LEU  13 -16.866   0.527   2.262
  106    HA   LEU  13           HA       LEU  13 -19.620  -0.351   2.303
  107    HB2  LEU  13           HB2      LEU  13 -18.301  -0.762   4.256
  108    HB3  LEU  13           HB3      LEU  13 -17.851   0.938   4.370
  109    HG   LEU  13           HG       LEU  13 -20.105   1.533   5.009
  110   HD11  LEU  13          HD11      LEU  13 -20.666  -1.247   4.171
  111   HD12  LEU  13          HD12      LEU  13 -21.654   0.208   4.028
  112   HD13  LEU  13          HD13      LEU  13 -21.551  -0.640   5.572
  113   HD21  LEU  13          HD21      LEU  13 -18.514   0.792   6.746
  114   HD22  LEU  13          HD22      LEU  13 -19.156  -0.845   6.607
  115   HD23  LEU  13          HD23      LEU  13 -20.194   0.465   7.174
  116    H    LEU  14           H        LEU  14 -18.228   2.702   3.490
  117    HA   LEU  14           HA       LEU  14 -19.028   4.833   3.467
  118    HB2  LEU  14           HB2      LEU  14 -18.368   4.738   1.163
  119    HB3  LEU  14           HB3      LEU  14 -19.864   3.917   0.722
  120    HG   LEU  14           HG       LEU  14 -20.462   6.446   1.945
  121   HD11  LEU  14          HD11      LEU  14 -18.157   6.971   1.105
  122   HD12  LEU  14          HD12      LEU  14 -19.447   7.962   0.425
  123   HD13  LEU  14          HD13      LEU  14 -18.751   6.649  -0.524
  124   HD21  LEU  14          HD21      LEU  14 -21.321   6.715  -0.544
  125   HD22  LEU  14          HD22      LEU  14 -22.132   5.655   0.610
  126   HD23  LEU  14          HD23      LEU  14 -21.016   4.978  -0.578
  127    HN1  NH2  15           HN1      NH2  15 -20.551   4.501   5.149
  128    HN2  NH2  15           HN2      NH2  15 -22.251   4.438   4.828
  Start of MODEL    5
    1    H1   ACE   1           H1       ACE   1  -1.896  -0.487  -3.882
    2    H2   ACE   1           H2       ACE   1  -2.970   0.562  -4.837
    3    H3   ACE   1           H3       ACE   1  -1.306   0.256  -5.388
    4    H    LEU   2           H        LEU   2  -3.357   2.224  -3.587
    5    HA   LEU   2           HA       LEU   2  -1.269   4.103  -3.051
    6    HB2  LEU   2           HB2      LEU   2  -4.215   4.002  -2.583
    7    HB3  LEU   2           HB3      LEU   2  -3.249   5.226  -1.761
    8    HG   LEU   2           HG       LEU   2  -4.303   6.088  -3.799
    9   HD11  LEU   2          HD11      LEU   2  -2.191   7.043  -3.040
   10   HD12  LEU   2          HD12      LEU   2  -2.306   7.069  -4.800
   11   HD13  LEU   2          HD13      LEU   2  -1.303   5.859  -4.000
   12   HD21  LEU   2          HD21      LEU   2  -4.292   3.932  -5.035
   13   HD22  LEU   2          HD22      LEU   2  -2.557   4.128  -5.284
   14   HD23  LEU   2          HD23      LEU   2  -3.687   5.293  -5.979
   15    HA   PRO   3           HA       PRO   3  -0.142   3.102   1.068
   16    HB2  PRO   3           HB2      PRO   3   0.148   5.555   2.197
   17    HB3  PRO   3           HB3      PRO   3   1.285   4.902   1.010
   18    HG2  PRO   3           HG2      PRO   3  -0.963   6.839   0.614
   19    HG3  PRO   3           HG3      PRO   3   0.680   6.880  -0.054
   20    HD2  PRO   3           HD2      PRO   3  -1.454   6.026  -1.487
   21    HD3  PRO   3           HD3      PRO   3   0.177   5.363  -1.716
   22    H    GLY   4           H        GLY   4  -2.968   5.044   0.519
   23    HA2  GLY   4           HA2      GLY   4  -3.876   4.589   3.282
   24    HA3  GLY   4           HA3      GLY   4  -4.543   5.781   2.178
   25    H    HIS   5           H        HIS   5  -4.564   2.455   3.170
   26    HA   HIS   5           HA       HIS   5  -6.570   1.759   1.166
   27    HB2  HIS   5           HB2      HIS   5  -4.556   0.314   2.549
   28    HB3  HIS   5           HB3      HIS   5  -6.109  -0.357   3.039
   29    HD1  HIS   5           HD1      HIS   5  -3.925   0.122   0.022
   30    HD2  HIS   5           HD2      HIS   5  -7.448  -1.808   1.086
   31    HE1  HIS   5           HE1      HIS   5  -4.476  -1.386  -1.912
   32    H    MK8   6           H2       MK8   6  -6.373   2.752   4.526
   33    HB   MK8   6           HB       MK8   6  -7.120   3.180   6.909
   34    HBA  MK8   6           HBA      MK8   6  -7.666   4.526   5.939
   35    HD   MK8   6           HD       MK8   6  -8.681   5.775   8.200
   36    HDA  MK8   6           HDA      MK8   6  -9.561   5.826   6.684
   37    HE   MK8   6           HE       MK8   6 -10.677   5.469   9.484
   38    HG   MK8   6           HG       MK8   6 -10.057   3.336   7.059
   39    HGA  MK8   6           HGA      MK8   6  -8.880   3.342   8.348
   40    HB1  MK8   6           HB1      MK8   6  -7.986   0.811   6.468
   41   HB1A  MK8   6          HB1A      MK8   6  -9.676   1.310   6.536
   42   HB1B  MK8   6          HB1B      MK8   6  -9.077   0.481   5.131
   43    H    LYS   7           H        LYS   7  -8.179   4.489   3.643
   44    HA   LYS   7           HA       LYS   7 -10.895   5.272   3.298
   45    HB2  LYS   7           HB2      LYS   7  -8.395   6.384   2.754
   46    HB3  LYS   7           HB3      LYS   7  -9.123   6.152   1.170
   47    HG2  LYS   7           HG2      LYS   7  -9.628   8.359   1.984
   48    HG3  LYS   7           HG3      LYS   7 -11.108   7.398   1.923
   49    HD2  LYS   7           HD2      LYS   7  -9.903   7.055   4.483
   50    HD3  LYS   7           HD3      LYS   7  -9.994   8.782   4.132
   51    HE2  LYS   7           HE2      LYS   7 -12.437   8.096   3.347
   52    HE3  LYS   7           HE3      LYS   7 -12.168   6.793   4.502
   53    HZ1  LYS   7           HZ1      LYS   7 -13.089   9.237   5.136
   54    HZ2  LYS   7           HZ2      LYS   7 -11.441   9.411   5.472
   55    HZ3  LYS   7           HZ3      LYS   7 -12.334   8.186   6.225
   56    H    ARG   8           H        ARG   8  -8.741   3.108   1.622
   57    HA   ARG   8           HA       ARG   8 -10.229   2.924  -0.794
   58    HB2  ARG   8           HB2      ARG   8  -7.873   2.270  -0.671
   59    HB3  ARG   8           HB3      ARG   8  -8.280   0.975   0.447
   60    HG2  ARG   8           HG2      ARG   8  -8.373  -0.329  -1.353
   61    HG3  ARG   8           HG3      ARG   8  -9.917   0.457  -1.690
   62    HD2  ARG   8           HD2      ARG   8  -9.054   1.180  -3.608
   63    HD3  ARG   8           HD3      ARG   8  -7.962   2.199  -2.670
   64    HE   ARG   8           HE       ARG   8  -6.714  -0.207  -2.705
   65   HH11  ARG   8          HH11      ARG   8  -6.873   1.370  -6.380
   66   HH12  ARG   8          HH12      ARG   8  -8.015   1.869  -5.177
   67   HH21  ARG   8          HH21      ARG   8  -5.275  -0.189  -5.870
   68   HH22  ARG   8          HH22      ARG   8  -5.204  -0.873  -4.280
   69    H    ILE   9           H        ILE   9 -10.301   1.199   2.268
   70    HA   ILE   9           HA       ILE   9 -12.290  -0.683   1.292
   71    HB   ILE   9           HB       ILE   9 -11.152  -0.356   4.070
   72   HG12  ILE   9          HG12      ILE   9 -10.486  -2.460   2.006
   73   HG13  ILE   9          HG13      ILE   9  -9.525  -1.005   2.247
   74   HG21  ILE   9          HG21      ILE   9 -12.022  -2.916   3.904
   75   HG22  ILE   9          HG22      ILE   9 -12.956  -1.589   4.594
   76   HG23  ILE   9          HG23      ILE   9 -13.229  -2.086   2.924
   77   HD11  ILE   9          HD11      ILE   9  -9.460  -1.824   4.726
   78   HD12  ILE   9          HD12      ILE   9  -9.833  -3.386   3.998
   79   HD13  ILE   9          HD13      ILE   9  -8.378  -2.516   3.517
   80    H    MK8  10           H2       MK8  10 -12.101   2.008   3.684
   81    HB   MK8  10           HB       MK8  10 -12.832   4.310   3.942
   82    HBA  MK8  10           HBA      MK8  10 -14.424   4.653   4.570
   83    HD   MK8  10           HD       MK8  10 -11.512   5.303   5.789
   84    HDA  MK8  10           HDA      MK8  10 -13.072   6.010   6.194
   85    HE   MK8  10           HE       MK8  10 -12.866   5.360   8.576
   86    HG   MK8  10           HG       MK8  10 -13.937   3.718   6.743
   87    HGA  MK8  10           HGA      MK8  10 -12.410   3.030   6.209
   88    HB1  MK8  10           HB1      MK8  10 -15.771   2.422   5.452
   89   HB1A  MK8  10          HB1A      MK8  10 -15.411   0.907   4.620
   90   HB1B  MK8  10          HB1B      MK8  10 -14.335   1.473   5.876
   91    H    TYR  11           H        TYR  11 -13.365   3.346   1.752
   92    HA   TYR  11           HA       TYR  11 -15.518   4.534   0.508
   93    HB2  TYR  11           HB2      TYR  11 -13.298   4.755  -0.402
   94    HB3  TYR  11           HB3      TYR  11 -13.199   3.026  -0.711
   95    HD1  TYR  11           HD1      TYR  11 -14.382   2.026  -2.594
   96    HD2  TYR  11           HD2      TYR  11 -14.558   6.215  -1.869
   97    HE1  TYR  11           HE1      TYR  11 -15.269   2.374  -4.861
   98    HE2  TYR  11           HE2      TYR  11 -15.448   6.574  -4.133
   99    HH   TYR  11           HH       TYR  11 -15.279   5.206  -6.416
  100    H    SER  12           H        SER  12 -14.696   1.133   0.715
  101    HA   SER  12           HA       SER  12 -16.490   0.188  -1.251
  102    HB2  SER  12           HB2      SER  12 -14.526  -0.986   0.144
  103    HB3  SER  12           HB3      SER  12 -15.902  -1.532   1.104
  104    HG   SER  12           HG       SER  12 -15.306  -2.039  -1.600
  105    H    LEU  13           H        LEU  13 -16.782   0.196   2.305
  106    HA   LEU  13           HA       LEU  13 -19.436  -0.689   2.402
  107    HB2  LEU  13           HB2      LEU  13 -17.486   0.432   4.240
  108    HB3  LEU  13           HB3      LEU  13 -19.129   0.950   4.615
  109    HG   LEU  13           HG       LEU  13 -18.474  -1.027   5.899
  110   HD11  LEU  13          HD11      LEU  13 -20.429  -2.308   4.180
  111   HD12  LEU  13          HD12      LEU  13 -20.829  -0.625   4.519
  112   HD13  LEU  13          HD13      LEU  13 -20.576  -1.757   5.848
  113   HD21  LEU  13          HD21      LEU  13 -18.156  -3.175   4.767
  114   HD22  LEU  13          HD22      LEU  13 -16.910  -2.012   4.318
  115   HD23  LEU  13          HD23      LEU  13 -18.233  -2.361   3.205
  116    H    LEU  14           H        LEU  14 -18.118   2.613   2.484
  117    HA   LEU  14           HA       LEU  14 -20.592   3.938   2.680
  118    HB2  LEU  14           HB2      LEU  14 -17.882   4.647   2.525
  119    HB3  LEU  14           HB3      LEU  14 -18.676   5.474   1.186
  120    HG   LEU  14           HG       LEU  14 -18.549   6.910   3.140
  121   HD11  LEU  14          HD11      LEU  14 -20.691   6.586   1.567
  122   HD12  LEU  14          HD12      LEU  14 -20.612   7.786   2.857
  123   HD13  LEU  14          HD13      LEU  14 -21.426   6.246   3.134
  124   HD21  LEU  14          HD21      LEU  14 -19.248   6.357   5.240
  125   HD22  LEU  14          HD22      LEU  14 -18.741   4.766   4.676
  126   HD23  LEU  14          HD23      LEU  14 -20.450   5.203   4.660
  127    HN1  NH2  15           HN1      NH2  15 -21.870   4.997   1.123
  128    HN2  NH2  15           HN2      NH2  15 -21.855   4.533  -0.545
  Start of MODEL    6
    1    H1   ACE   1           H1       ACE   1  -5.580  14.160   1.149
    2    H2   ACE   1           H2       ACE   1  -4.221  15.288   0.934
    3    H3   ACE   1           H3       ACE   1  -4.798  14.318  -0.442
    4    H    LEU   2           H        LEU   2  -5.190  12.165   1.737
    5    HA   LEU   2           HA       LEU   2  -2.528  11.019   1.388
    6    HB2  LEU   2           HB2      LEU   2  -2.673  12.185   3.620
    7    HB3  LEU   2           HB3      LEU   2  -3.901  11.003   4.066
    8    HG   LEU   2           HG       LEU   2  -2.038   9.270   3.463
    9   HD11  LEU   2          HD11      LEU   2   0.177  10.392   4.311
   10   HD12  LEU   2          HD12      LEU   2  -0.567  11.850   3.656
   11   HD13  LEU   2          HD13      LEU   2  -0.281  10.461   2.608
   12   HD21  LEU   2          HD21      LEU   2  -1.901  10.938   5.974
   13   HD22  LEU   2          HD22      LEU   2  -1.296   9.292   5.776
   14   HD23  LEU   2          HD23      LEU   2  -3.028   9.613   5.684
   15    HA   PRO   3           HA       PRO   3  -6.059   8.079   0.616
   16    HB2  PRO   3           HB2      PRO   3  -5.176   7.274  -1.821
   17    HB3  PRO   3           HB3      PRO   3  -6.215   8.686  -1.595
   18    HG2  PRO   3           HG2      PRO   3  -3.248   8.556  -1.975
   19    HG3  PRO   3           HG3      PRO   3  -4.421   9.673  -2.696
   20    HD2  PRO   3           HD2      PRO   3  -2.869  10.355  -0.585
   21    HD3  PRO   3           HD3      PRO   3  -4.508  10.998  -0.812
   22    H    GLY   4           H        GLY   4  -5.968   5.925   1.045
   23    HA2  GLY   4           HA2      GLY   4  -3.454   4.482   0.706
   24    HA3  GLY   4           HA3      GLY   4  -4.044   4.650   2.354
   25    H    HIS   5           H        HIS   5  -4.959   2.835   3.020
   26    HA   HIS   5           HA       HIS   5  -6.610   1.318   1.106
   27    HB2  HIS   5           HB2      HIS   5  -6.097  -0.651   2.666
   28    HB3  HIS   5           HB3      HIS   5  -4.786  -0.080   1.636
   29    HD1  HIS   5           HD1      HIS   5  -2.830   1.186   2.806
   30    HD2  HIS   5           HD2      HIS   5  -5.682  -0.364   5.396
   31    HE1  HIS   5           HE1      HIS   5  -1.783   1.279   5.091
   32    H    MK8   6           H2       MK8   6  -6.346   2.553   4.467
   33    HB   MK8   6           HB       MK8   6  -7.067   3.043   6.836
   34    HBA  MK8   6           HBA      MK8   6  -7.548   4.395   5.841
   35    HD   MK8   6           HD       MK8   6  -8.502   5.734   8.062
   36    HDA  MK8   6           HDA      MK8   6  -9.353   5.789   6.531
   37    HE   MK8   6           HE       MK8   6 -10.536   5.602   9.313
   38    HG   MK8   6           HG       MK8   6  -9.992   3.335   6.980
   39    HGA  MK8   6           HGA      MK8   6  -8.819   3.325   8.271
   40    HB1  MK8   6           HB1      MK8   6  -9.650   1.274   6.530
   41   HB1A  MK8   6          HB1A      MK8   6  -9.136   0.409   5.112
   42   HB1B  MK8   6          HB1B      MK8   6  -7.988   0.705   6.413
   43    H    LYS   7           H        LYS   7  -8.118   4.356   3.585
   44    HA   LYS   7           HA       LYS   7 -10.808   5.226   3.244
   45    HB2  LYS   7           HB2      LYS   7  -9.038   6.830   3.004
   46    HB3  LYS   7           HB3      LYS   7  -8.261   5.868   1.753
   47    HG2  LYS   7           HG2      LYS   7 -11.033   6.724   1.211
   48    HG3  LYS   7           HG3      LYS   7  -9.804   7.989   1.239
   49    HD2  LYS   7           HD2      LYS   7  -8.504   6.225  -0.263
   50    HD3  LYS   7           HD3      LYS   7 -10.152   5.710  -0.634
   51    HE2  LYS   7           HE2      LYS   7  -9.787   8.605  -0.715
   52    HE3  LYS   7           HE3      LYS   7  -8.783   7.740  -1.877
   53    HZ1  LYS   7           HZ1      LYS   7 -10.784   6.624  -2.687
   54    HZ2  LYS   7           HZ2      LYS   7 -10.900   8.303  -2.851
   55    HZ3  LYS   7           HZ3      LYS   7 -11.732   7.515  -1.606
   56    H    ARG   8           H        ARG   8  -8.740   2.980   1.574
   57    HA   ARG   8           HA       ARG   8 -10.231   2.853  -0.844
   58    HB2  ARG   8           HB2      ARG   8  -7.830   2.086  -0.470
   59    HB3  ARG   8           HB3      ARG   8  -8.510   0.652   0.290
   60    HG2  ARG   8           HG2      ARG   8  -9.392  -0.143  -1.698
   61    HG3  ARG   8           HG3      ARG   8  -9.353   1.446  -2.466
   62    HD2  ARG   8           HD2      ARG   8  -6.755   0.324  -1.608
   63    HD3  ARG   8           HD3      ARG   8  -7.552  -0.480  -2.962
   64    HE   ARG   8           HE       ARG   8  -7.453   2.365  -3.261
   65   HH11  ARG   8          HH11      ARG   8  -4.636   0.050  -4.913
   66   HH12  ARG   8          HH12      ARG   8  -5.657  -0.590  -3.669
   67   HH21  ARG   8          HH21      ARG   8  -4.894   2.217  -5.611
   68   HH22  ARG   8          HH22      ARG   8  -6.112   3.219  -4.899
   69    H    ILE   9           H        ILE   9 -10.365   1.130   2.218
   70    HA   ILE   9           HA       ILE   9 -12.423  -0.675   1.242
   71    HB   ILE   9           HB       ILE   9 -11.253  -0.394   4.013
   72   HG12  ILE   9          HG12      ILE   9 -10.723  -2.572   1.992
   73   HG13  ILE   9          HG13      ILE   9  -9.709  -1.139   2.125
   74   HG21  ILE   9          HG21      ILE   9 -12.231  -2.743   4.230
   75   HG22  ILE   9          HG22      ILE   9 -13.356  -1.388   4.287
   76   HG23  ILE   9          HG23      ILE   9 -13.198  -2.340   2.812
   77   HD11  ILE   9          HD11      ILE   9 -10.082  -3.367   4.081
   78   HD12  ILE   9          HD12      ILE   9  -8.592  -2.727   3.387
   79   HD13  ILE   9          HD13      ILE   9  -9.474  -1.794   4.596
   80    H    MK8  10           H2       MK8  10 -12.124   2.002   3.633
   81    HB   MK8  10           HB       MK8  10 -12.733   4.355   3.793
   82    HBA  MK8  10           HBA      MK8  10 -14.289   4.800   4.439
   83    HD   MK8  10           HD       MK8  10 -11.314   5.360   5.597
   84    HDA  MK8  10           HDA      MK8  10 -12.831   6.166   5.942
   85    HE   MK8  10           HE       MK8  10 -12.705   5.611   8.357
   86    HG   MK8  10           HG       MK8  10 -13.808   3.925   6.629
   87    HGA  MK8  10           HGA      MK8  10 -12.322   3.150   6.097
   88    HB1  MK8  10           HB1      MK8  10 -14.326   1.661   5.855
   89   HB1A  MK8  10          HB1A      MK8  10 -15.725   2.664   5.428
   90   HB1B  MK8  10          HB1B      MK8  10 -15.450   1.112   4.631
   91    H    TYR  11           H        TYR  11 -13.348   3.384   1.706
   92    HA   TYR  11           HA       TYR  11 -15.454   4.655   0.467
   93    HB2  TYR  11           HB2      TYR  11 -13.235   4.792  -0.454
   94    HB3  TYR  11           HB3      TYR  11 -13.198   3.057  -0.752
   95    HD1  TYR  11           HD1      TYR  11 -15.475   5.911  -1.589
   96    HD2  TYR  11           HD2      TYR  11 -13.394   2.464  -2.964
   97    HE1  TYR  11           HE1      TYR  11 -16.359   6.290  -3.853
   98    HE2  TYR  11           HE2      TYR  11 -14.272   2.833  -5.232
   99    HH   TYR  11           HH       TYR  11 -15.300   4.346  -6.585
  100    H    SER  12           H        SER  12 -14.764   1.223   0.670
  101    HA   SER  12           HA       SER  12 -16.733   0.435  -1.250
  102    HB2  SER  12           HB2      SER  12 -14.636  -0.825   0.113
  103    HB3  SER  12           HB3      SER  12 -16.098  -1.630   0.685
  104    HG   SER  12           HG       SER  12 -15.683  -2.707  -1.129
  105    H    LEU  13           H        LEU  13 -16.590   0.348   2.306
  106    HA   LEU  13           HA       LEU  13 -19.129  -0.708   2.761
  107    HB2  LEU  13           HB2      LEU  13 -17.171  -0.218   4.384
  108    HB3  LEU  13           HB3      LEU  13 -17.929   1.363   4.560
  109    HG   LEU  13           HG       LEU  13 -19.383  -1.218   5.101
  110   HD11  LEU  13          HD11      LEU  13 -18.018   0.556   7.119
  111   HD12  LEU  13          HD12      LEU  13 -17.380  -0.988   6.553
  112   HD13  LEU  13          HD13      LEU  13 -18.906  -0.936   7.432
  113   HD21  LEU  13          HD21      LEU  13 -19.926   1.691   5.576
  114   HD22  LEU  13          HD22      LEU  13 -20.700   0.446   6.557
  115   HD23  LEU  13          HD23      LEU  13 -20.952   0.477   4.812
  116    H    LEU  14           H        LEU  14 -18.097   2.668   2.426
  117    HA   LEU  14           HA       LEU  14 -20.608   3.834   2.944
  118    HB2  LEU  14           HB2      LEU  14 -18.121   4.796   2.598
  119    HB3  LEU  14           HB3      LEU  14 -18.815   5.185   1.025
  120    HG   LEU  14           HG       LEU  14 -20.091   6.032   3.615
  121   HD11  LEU  14          HD11      LEU  14 -18.291   7.732   1.909
  122   HD12  LEU  14          HD12      LEU  14 -17.733   6.886   3.353
  123   HD13  LEU  14          HD13      LEU  14 -18.987   8.118   3.482
  124   HD21  LEU  14          HD21      LEU  14 -21.501   6.014   1.602
  125   HD22  LEU  14          HD22      LEU  14 -20.343   7.071   0.795
  126   HD23  LEU  14          HD23      LEU  14 -21.226   7.647   2.209
  127    HN1  NH2  15           HN1      NH2  15 -22.416   3.436   1.843
  128    HN2  NH2  15           HN2      NH2  15 -22.548   3.309   0.121
  Start of MODEL    7
    1    H1   ACE   1           H1       ACE   1   2.235  -0.617  -2.305
    2    H2   ACE   1           H2       ACE   1   0.462  -0.602  -2.145
    3    H3   ACE   1           H3       ACE   1   1.244   0.308  -3.459
    4    H    LEU   2           H        LEU   2   0.411   2.247  -2.895
    5    HA   LEU   2           HA       LEU   2   1.852   3.700  -0.904
    6    HB2  LEU   2           HB2      LEU   2  -0.085   4.291  -3.029
    7    HB3  LEU   2           HB3      LEU   2  -0.175   5.363  -1.633
    8    HG   LEU   2           HG       LEU   2   2.432   5.533  -2.037
    9   HD11  LEU   2          HD11      LEU   2   1.730   5.424  -4.889
   10   HD12  LEU   2          HD12      LEU   2   1.861   3.862  -4.080
   11   HD13  LEU   2          HD13      LEU   2   3.225   4.980  -4.065
   12   HD21  LEU   2          HD21      LEU   2   0.756   7.361  -2.088
   13   HD22  LEU   2          HD22      LEU   2   0.452   6.987  -3.784
   14   HD23  LEU   2          HD23      LEU   2   2.044   7.555  -3.278
   15    HA   PRO   3           HA       PRO   3  -0.805   3.480   2.581
   16    HB2  PRO   3           HB2      PRO   3  -0.735   6.020   3.535
   17    HB3  PRO   3           HB3      PRO   3   0.637   4.911   3.654
   18    HG2  PRO   3           HG2      PRO   3   0.139   7.103   1.677
   19    HG3  PRO   3           HG3      PRO   3   1.641   6.676   2.520
   20    HD2  PRO   3           HD2      PRO   3   1.150   5.949  -0.041
   21    HD3  PRO   3           HD3      PRO   3   2.113   4.951   1.067
   22    H    GLY   4           H        GLY   4  -2.710   3.097   1.185
   23    HA2  GLY   4           HA2      GLY   4  -4.753   5.050   1.750
   24    HA3  GLY   4           HA3      GLY   4  -4.391   4.895   0.038
   25    H    HIS   5           H        HIS   5  -5.032   2.794   2.848
   26    HA   HIS   5           HA       HIS   5  -6.711   1.136   1.080
   27    HB2  HIS   5           HB2      HIS   5  -6.220  -0.696   2.803
   28    HB3  HIS   5           HB3      HIS   5  -4.906  -0.238   1.725
   29    HD1  HIS   5           HD1      HIS   5  -2.761   0.415   2.808
   30    HD2  HIS   5           HD2      HIS   5  -5.956   0.506   5.463
   31    HE1  HIS   5           HE1      HIS   5  -1.746   0.864   5.065
   32    H    MK8   6           H2       MK8   6  -6.424   2.694   4.297
   33    HB   MK8   6           HB       MK8   6  -7.125   3.352   6.645
   34    HBA  MK8   6           HBA      MK8   6  -7.602   4.629   5.552
   35    HD   MK8   6           HD       MK8   6  -8.583   6.173   7.625
   36    HDA  MK8   6           HDA      MK8   6  -9.452   6.065   6.105
   37    HE   MK8   6           HE       MK8   6 -10.596   6.076   8.920
   38    HG   MK8   6           HG       MK8   6 -10.039   3.651   6.813
   39    HGA  MK8   6           HGA      MK8   6  -8.840   3.795   8.073
   40    HB1  MK8   6           HB1      MK8   6  -9.771   1.564   6.427
   41   HB1A  MK8   6          HB1A      MK8   6  -9.178   0.587   5.122
   42   HB1B  MK8   6          HB1B      MK8   6  -8.098   1.013   6.436
   43    H    LYS   7           H        LYS   7  -8.153   4.400   3.286
   44    HA   LYS   7           HA       LYS   7 -10.831   5.282   2.880
   45    HB2  LYS   7           HB2      LYS   7  -8.344   6.306   2.325
   46    HB3  LYS   7           HB3      LYS   7  -8.919   5.852   0.727
   47    HG2  LYS   7           HG2      LYS   7  -9.663   8.015   0.887
   48    HG3  LYS   7           HG3      LYS   7 -11.078   7.119   1.443
   49    HD2  LYS   7           HD2      LYS   7 -10.360   7.487   3.774
   50    HD3  LYS   7           HD3      LYS   7  -8.995   8.440   3.185
   51    HE2  LYS   7           HE2      LYS   7 -11.368   9.430   1.973
   52    HE3  LYS   7           HE3      LYS   7 -11.656   9.283   3.706
   53    HZ1  LYS   7           HZ1      LYS   7  -9.818  10.673   4.172
   54    HZ2  LYS   7           HZ2      LYS   7 -10.704  11.454   2.962
   55    HZ3  LYS   7           HZ3      LYS   7  -9.276  10.636   2.569
   56    H    ARG   8           H        ARG   8  -8.760   2.927   1.343
   57    HA   ARG   8           HA       ARG   8 -10.286   2.607  -1.029
   58    HB2  ARG   8           HB2      ARG   8  -7.860   1.853  -0.515
   59    HB3  ARG   8           HB3      ARG   8  -8.614   0.427   0.186
   60    HG2  ARG   8           HG2      ARG   8  -9.862   0.543  -2.216
   61    HG3  ARG   8           HG3      ARG   8  -8.273   1.195  -2.619
   62    HD2  ARG   8           HD2      ARG   8  -7.547  -0.904  -2.741
   63    HD3  ARG   8           HD3      ARG   8  -7.741  -0.993  -0.992
   64    HE   ARG   8           HE       ARG   8 -10.223  -1.551  -1.985
   65   HH11  ARG   8          HH11      ARG   8  -7.599  -4.476  -2.753
   66   HH12  ARG   8          HH12      ARG   8  -7.032  -2.871  -2.433
   67   HH21  ARG   8          HH21      ARG   8  -9.846  -4.924  -2.738
   68   HH22  ARG   8          HH22      ARG   8 -10.982  -3.660  -2.404
   69    H    ILE   9           H        ILE   9 -10.384   1.123   2.157
   70    HA   ILE   9           HA       ILE   9 -12.438  -0.766   1.347
   71    HB   ILE   9           HB       ILE   9 -11.278  -0.241   4.087
   72   HG12  ILE   9          HG12      ILE   9 -10.684  -2.531   2.209
   73   HG13  ILE   9          HG13      ILE   9  -9.681  -1.090   2.318
   74   HG21  ILE   9          HG21      ILE   9 -13.390  -1.244   4.386
   75   HG22  ILE   9          HG22      ILE   9 -13.144  -2.347   3.034
   76   HG23  ILE   9          HG23      ILE   9 -12.219  -2.557   4.521
   77   HD11  ILE   9          HD11      ILE   9  -9.569  -1.665   4.837
   78   HD12  ILE   9          HD12      ILE   9 -10.082  -3.269   4.312
   79   HD13  ILE   9          HD13      ILE   9  -8.584  -2.574   3.692
   80    H    MK8  10           H2       MK8  10 -12.166   2.126   3.484
   81    HB   MK8  10           HB       MK8  10 -12.796   4.449   3.525
   82    HBA  MK8  10           HBA      MK8  10 -14.363   4.927   4.117
   83    HD   MK8  10           HD       MK8  10 -11.413   5.574   5.243
   84    HDA  MK8  10           HDA      MK8  10 -12.927   6.401   5.547
   85    HE   MK8  10           HE       MK8  10 -12.777   5.988   7.997
   86    HG   MK8  10           HG       MK8  10 -13.910   4.218   6.370
   87    HGA  MK8  10           HGA      MK8  10 -12.422   3.402   5.919
   88    HB1  MK8  10           HB1      MK8  10 -15.586   1.288   4.500
   89   HB1A  MK8  10          HB1A      MK8  10 -14.429   1.834   5.707
   90   HB1B  MK8  10          HB1B      MK8  10 -15.785   2.876   5.242
   91    H    TYR  11           H        TYR  11 -13.387   3.352   1.476
   92    HA   TYR  11           HA       TYR  11 -15.521   4.484   0.147
   93    HB2  TYR  11           HB2      TYR  11 -13.273   4.592  -0.747
   94    HB3  TYR  11           HB3      TYR  11 -13.241   2.850  -0.984
   95    HD1  TYR  11           HD1      TYR  11 -14.839   5.985  -2.138
   96    HD2  TYR  11           HD2      TYR  11 -14.109   1.873  -2.953
   97    HE1  TYR  11           HE1      TYR  11 -15.722   6.286  -4.414
   98    HE2  TYR  11           HE2      TYR  11 -14.988   2.163  -5.232
   99    HH   TYR  11           HH       TYR  11 -16.296   5.278  -6.314
  100    H    SER  12           H        SER  12 -14.759   1.099   0.621
  101    HA   SER  12           HA       SER  12 -16.562   0.045  -1.289
  102    HB2  SER  12           HB2      SER  12 -15.718  -1.354   1.248
  103    HB3  SER  12           HB3      SER  12 -16.140  -2.075  -0.305
  104    HG   SER  12           HG       SER  12 -14.188  -1.688  -1.026
  105    H    LEU  13           H        LEU  13 -16.834   0.188   2.268
  106    HA   LEU  13           HA       LEU  13 -19.618  -0.458   2.226
  107    HB2  LEU  13           HB2      LEU  13 -17.596   0.231   4.277
  108    HB3  LEU  13           HB3      LEU  13 -19.284   0.516   4.694
  109    HG   LEU  13           HG       LEU  13 -18.454  -1.654   5.503
  110   HD11  LEU  13          HD11      LEU  13 -20.323  -2.681   3.566
  111   HD12  LEU  13          HD12      LEU  13 -20.839  -1.107   4.171
  112   HD13  LEU  13          HD13      LEU  13 -20.525  -2.426   5.299
  113   HD21  LEU  13          HD21      LEU  13 -17.616  -3.308   4.155
  114   HD22  LEU  13          HD22      LEU  13 -16.978  -1.875   3.348
  115   HD23  LEU  13          HD23      LEU  13 -18.408  -2.685   2.707
  116    H    LEU  14           H        LEU  14 -18.140   2.412   3.716
  117    HA   LEU  14           HA       LEU  14 -18.887   4.554   3.924
  118    HB2  LEU  14           HB2      LEU  14 -18.156   4.693   1.643
  119    HB3  LEU  14           HB3      LEU  14 -19.658   3.971   1.070
  120    HG   LEU  14           HG       LEU  14 -20.876   5.985   1.802
  121   HD11  LEU  14          HD11      LEU  14 -19.815   7.082   3.466
  122   HD12  LEU  14          HD12      LEU  14 -19.120   7.981   2.118
  123   HD13  LEU  14          HD13      LEU  14 -18.209   6.669   2.868
  124   HD21  LEU  14          HD21      LEU  14 -19.046   5.743  -0.368
  125   HD22  LEU  14          HD22      LEU  14 -19.064   7.421   0.174
  126   HD23  LEU  14          HD23      LEU  14 -20.570   6.630  -0.296
  127    HN1  NH2  15           HN1      NH2  15 -20.471   4.113   5.512
  128    HN2  NH2  15           HN2      NH2  15 -22.163   4.131   5.137
  Start of MODEL    8
    1    H1   ACE   1           H1       ACE   1   1.720  -1.570   4.103
    2    H2   ACE   1           H2       ACE   1   2.666  -0.266   4.859
    3    H3   ACE   1           H3       ACE   1   0.921  -0.399   5.181
    4    H    LEU   2           H        LEU   2  -0.384  -0.495   3.073
    5    HA   LEU   2           HA       LEU   2   0.565   0.888   0.796
    6    HB2  LEU   2           HB2      LEU   2  -1.993  -0.161   1.769
    7    HB3  LEU   2           HB3      LEU   2  -2.139   1.251   0.723
    8    HG   LEU   2           HG       LEU   2  -0.416  -0.339  -0.693
    9   HD11  LEU   2          HD11      LEU   2  -2.464  -2.335  -0.145
   10   HD12  LEU   2          HD12      LEU   2  -1.391  -2.045   1.225
   11   HD13  LEU   2          HD13      LEU   2  -0.720  -2.519  -0.335
   12   HD21  LEU   2          HD21      LEU   2  -2.618   0.935  -1.259
   13   HD22  LEU   2          HD22      LEU   2  -3.369  -0.646  -1.036
   14   HD23  LEU   2          HD23      LEU   2  -2.111  -0.431  -2.254
   15    HA   PRO   3           HA       PRO   3   0.181   5.134   1.832
   16    HB2  PRO   3           HB2      PRO   3  -0.857   6.201  -0.438
   17    HB3  PRO   3           HB3      PRO   3   0.809   5.622  -0.324
   18    HG2  PRO   3           HG2      PRO   3  -1.597   4.260  -1.472
   19    HG3  PRO   3           HG3      PRO   3   0.055   4.341  -2.111
   20    HD2  PRO   3           HD2      PRO   3  -0.892   2.175  -0.792
   21    HD3  PRO   3           HD3      PRO   3   0.811   2.669  -0.716
   22    H    GLY   4           H        GLY   4  -2.665   3.417   0.798
   23    HA2  GLY   4           HA2      GLY   4  -4.313   4.750   2.691
   24    HA3  GLY   4           HA3      GLY   4  -4.645   5.337   1.069
   25    H    HIS   5           H        HIS   5  -5.007   2.733   3.302
   26    HA   HIS   5           HA       HIS   5  -6.604   1.267   1.305
   27    HB2  HIS   5           HB2      HIS   5  -6.128  -0.775   2.681
   28    HB3  HIS   5           HB3      HIS   5  -4.707  -0.082   1.904
   29    HD1  HIS   5           HD1      HIS   5  -3.130   1.381   3.522
   30    HD2  HIS   5           HD2      HIS   5  -5.930  -1.058   5.387
   31    HE1  HIS   5           HE1      HIS   5  -2.364   1.180   5.909
   32    H    MK8   6           H2       MK8   6  -6.392   2.435   4.660
   33    HB   MK8   6           HB       MK8   6  -7.322   2.784   7.231
   34    HBA  MK8   6           HBA      MK8   6  -7.091   4.008   6.014
   35    HD   MK8   6           HD       MK8   6 -10.590   3.000   7.159
   36    HDA  MK8   6           HDA      MK8   6  -9.646   2.920   8.630
   37    HE   MK8   6           HE       MK8   6 -10.864   4.727   9.582
   38    HG   MK8   6           HG       MK8   6  -8.322   4.905   7.906
   39    HGA  MK8   6           HGA      MK8   6  -9.253   5.029   6.436
   40    HB1  MK8   6           HB1      MK8   6  -9.591   1.169   6.795
   41   HB1A  MK8   6          HB1A      MK8   6  -9.247   0.351   5.292
   42   HB1B  MK8   6          HB1B      MK8   6  -7.975   0.556   6.489
   43    H    LYS   7           H        LYS   7  -8.181   4.275   3.811
   44    HA   LYS   7           HA       LYS   7 -10.864   5.128   3.419
   45    HB2  LYS   7           HB2      LYS   7  -8.826   6.589   3.254
   46    HB3  LYS   7           HB3      LYS   7  -8.457   5.805   1.724
   47    HG2  LYS   7           HG2      LYS   7 -10.122   6.875   0.612
   48    HG3  LYS   7           HG3      LYS   7 -11.159   6.980   2.036
   49    HD2  LYS   7           HD2      LYS   7  -9.211   8.587   2.862
   50    HD3  LYS   7           HD3      LYS   7  -8.985   8.789   1.122
   51    HE2  LYS   7           HE2      LYS   7 -10.761  10.121   0.991
   52    HE3  LYS   7           HE3      LYS   7 -11.778   8.924   1.791
   53    HZ1  LYS   7           HZ1      LYS   7 -11.880  10.686   3.237
   54    HZ2  LYS   7           HZ2      LYS   7 -10.282  11.166   2.963
   55    HZ3  LYS   7           HZ3      LYS   7 -10.604   9.802   3.909
   56    H    ARG   8           H        ARG   8  -8.755   2.913   1.767
   57    HA   ARG   8           HA       ARG   8 -10.196   2.819  -0.686
   58    HB2  ARG   8           HB2      ARG   8  -7.779   2.049  -0.195
   59    HB3  ARG   8           HB3      ARG   8  -8.521   0.564   0.386
   60    HG2  ARG   8           HG2      ARG   8  -9.730   0.864  -2.032
   61    HG3  ARG   8           HG3      ARG   8  -8.125   1.528  -2.345
   62    HD2  ARG   8           HD2      ARG   8  -7.303  -0.619  -1.121
   63    HD3  ARG   8           HD3      ARG   8  -8.908  -1.233  -1.514
   64    HE   ARG   8           HE       ARG   8  -6.719  -0.916  -3.303
   65   HH11  ARG   8          HH11      ARG   8 -10.438  -1.129  -4.770
   66   HH12  ARG   8          HH12      ARG   8 -10.191  -0.759  -3.096
   67   HH21  ARG   8          HH21      ARG   8  -8.640  -1.496  -6.142
   68   HH22  ARG   8          HH22      ARG   8  -7.031  -1.404  -5.510
   69    H    ILE   9           H        ILE   9 -10.364   1.044   2.344
   70    HA   ILE   9           HA       ILE   9 -12.379  -0.772   1.303
   71    HB   ILE   9           HB       ILE   9 -11.300  -0.515   4.112
   72   HG12  ILE   9          HG12      ILE   9  -9.574  -1.142   2.453
   73   HG13  ILE   9          HG13      ILE   9  -9.919  -2.449   3.581
   74   HG21  ILE   9          HG21      ILE   9 -13.283  -1.635   4.409
   75   HG22  ILE   9          HG22      ILE   9 -13.233  -2.369   2.808
   76   HG23  ILE   9          HG23      ILE   9 -12.188  -2.981   4.089
   77   HD11  ILE   9          HD11      ILE   9 -10.994  -2.226   0.780
   78   HD12  ILE   9          HD12      ILE   9  -9.662  -3.258   1.297
   79   HD13  ILE   9          HD13      ILE   9 -11.292  -3.549   1.907
   80    H    MK8  10           H2       MK8  10 -12.160   1.900   3.703
   81    HB   MK8  10           HB       MK8  10 -12.811   4.207   3.957
   82    HBA  MK8  10           HBA      MK8  10 -14.407   4.626   4.523
   83    HD   MK8  10           HD       MK8  10 -11.455   5.110   5.831
   84    HDA  MK8  10           HDA      MK8  10 -12.950   5.960   6.156
   85    HE   MK8  10           HE       MK8  10 -12.678   5.812   8.490
   86    HG   MK8  10           HG       MK8  10 -14.045   3.748   6.719
   87    HGA  MK8  10           HGA      MK8  10 -12.571   2.919   6.245
   88    HB1  MK8  10           HB1      MK8  10 -14.418   1.492   5.917
   89   HB1A  MK8  10          HB1A      MK8  10 -15.868   2.366   5.396
   90   HB1B  MK8  10          HB1B      MK8  10 -15.399   0.828   4.651
   91    H    TYR  11           H        TYR  11 -13.358   3.282   1.796
   92    HA   TYR  11           HA       TYR  11 -15.467   4.539   0.530
   93    HB2  TYR  11           HB2      TYR  11 -13.219   4.760  -0.312
   94    HB3  TYR  11           HB3      TYR  11 -13.132   3.037  -0.667
   95    HD1  TYR  11           HD1      TYR  11 -15.501   5.828  -1.464
   96    HD2  TYR  11           HD2      TYR  11 -13.201   2.555  -2.913
   97    HE1  TYR  11           HE1      TYR  11 -16.328   6.262  -3.738
   98    HE2  TYR  11           HE2      TYR  11 -14.021   2.981  -5.192
   99    HH   TYR  11           HH       TYR  11 -16.646   4.893  -5.874
  100    H    SER  12           H        SER  12 -14.682   1.125   0.670
  101    HA   SER  12           HA       SER  12 -16.484   0.283  -1.355
  102    HB2  SER  12           HB2      SER  12 -15.631  -1.438   0.964
  103    HB3  SER  12           HB3      SER  12 -15.970  -1.920  -0.699
  104    HG   SER  12           HG       SER  12 -13.971  -1.516  -1.183
  105    H    LEU  13           H        LEU  13 -16.743   0.628   2.149
  106    HA   LEU  13           HA       LEU  13 -19.371  -0.481   2.308
  107    HB2  LEU  13           HB2      LEU  13 -17.411   0.684   4.124
  108    HB3  LEU  13           HB3      LEU  13 -19.071   1.111   4.537
  109    HG   LEU  13           HG       LEU  13 -18.385  -0.831   5.795
  110   HD11  LEU  13          HD11      LEU  13 -20.110  -2.210   3.874
  111   HD12  LEU  13          HD12      LEU  13 -20.691  -0.618   4.363
  112   HD13  LEU  13          HD13      LEU  13 -20.366  -1.850   5.583
  113   HD21  LEU  13          HD21      LEU  13 -18.190  -2.892   3.941
  114   HD22  LEU  13          HD22      LEU  13 -16.881  -2.202   4.899
  115   HD23  LEU  13          HD23      LEU  13 -17.199  -1.596   3.274
  116    H    LEU  14           H        LEU  14 -18.127   2.849   2.587
  117    HA   LEU  14           HA       LEU  14 -20.731   4.014   2.586
  118    HB2  LEU  14           HB2      LEU  14 -17.992   4.899   2.829
  119    HB3  LEU  14           HB3      LEU  14 -18.918   5.975   1.784
  120    HG   LEU  14           HG       LEU  14 -20.488   6.422   3.555
  121   HD11  LEU  14          HD11      LEU  14 -20.602   4.284   4.631
  122   HD12  LEU  14          HD12      LEU  14 -20.108   5.484   5.824
  123   HD13  LEU  14          HD13      LEU  14 -18.913   4.390   5.126
  124   HD21  LEU  14          HD21      LEU  14 -18.784   7.952   3.731
  125   HD22  LEU  14          HD22      LEU  14 -17.577   6.728   4.127
  126   HD23  LEU  14          HD23      LEU  14 -18.755   7.229   5.340
  127    HN1  NH2  15           HN1      NH2  15 -21.488   5.591   0.951
  128    HN2  NH2  15           HN2      NH2  15 -21.219   5.239  -0.724
  Start of MODEL    9
    1    H1   ACE   1           H1       ACE   1   3.743   8.542  -2.778
    2    H2   ACE   1           H2       ACE   1   2.833   7.024  -2.966
    3    H3   ACE   1           H3       ACE   1   2.458   8.421  -4.003
    4    H    LEU   2           H        LEU   2   0.459   7.244  -2.693
    5    HA   LEU   2           HA       LEU   2  -0.039   8.741  -0.238
    6    HB2  LEU   2           HB2      LEU   2  -0.802  10.149  -2.132
    7    HB3  LEU   2           HB3      LEU   2  -1.905   8.858  -2.601
    8    HG   LEU   2           HG       LEU   2  -2.640   9.272  -0.015
    9   HD11  LEU   2          HD11      LEU   2  -1.625  11.866  -1.133
   10   HD12  LEU   2          HD12      LEU   2  -1.317  11.147   0.448
   11   HD13  LEU   2          HD13      LEU   2  -2.910  11.806   0.075
   12   HD21  LEU   2          HD21      LEU   2  -4.565  10.440  -0.945
   13   HD22  LEU   2          HD22      LEU   2  -4.113   9.070  -1.961
   14   HD23  LEU   2          HD23      LEU   2  -3.688  10.711  -2.450
   15    HA   PRO   3           HA       PRO   3  -1.652   4.379  -0.225
   16    HB2  PRO   3           HB2      PRO   3  -0.545   3.725   2.167
   17    HB3  PRO   3           HB3      PRO   3   0.318   3.563   0.633
   18    HG2  PRO   3           HG2      PRO   3   0.484   5.743   2.678
   19    HG3  PRO   3           HG3      PRO   3   1.791   4.948   1.782
   20    HD2  PRO   3           HD2      PRO   3   0.816   7.377   1.087
   21    HD3  PRO   3           HD3      PRO   3   1.441   6.221  -0.107
   22    H    GLY   4           H        GLY   4  -3.414   3.632   0.921
   23    HA2  GLY   4           HA2      GLY   4  -4.247   4.557   3.442
   24    HA3  GLY   4           HA3      GLY   4  -5.055   5.512   2.208
   25    H    HIS   5           H        HIS   5  -4.272   2.069   2.726
   26    HA   HIS   5           HA       HIS   5  -6.432   1.035   1.302
   27    HB2  HIS   5           HB2      HIS   5  -6.082  -1.018   2.767
   28    HB3  HIS   5           HB3      HIS   5  -4.678  -0.455   1.868
   29    HD1  HIS   5           HD1      HIS   5  -2.608  -0.172   3.200
   30    HD2  HIS   5           HD2      HIS   5  -6.014  -0.069   5.579
   31    HE1  HIS   5           HE1      HIS   5  -1.772  -0.041   5.568
   32    H    MK8   6           H2       MK8   6  -6.257   2.226   4.648
   33    HB   MK8   6           HB       MK8   6  -7.201   2.570   7.216
   34    HBA  MK8   6           HBA      MK8   6  -6.906   3.779   5.999
   35    HD   MK8   6           HD       MK8   6 -10.464   2.941   7.106
   36    HDA  MK8   6           HDA      MK8   6  -9.527   2.790   8.576
   37    HE   MK8   6           HE       MK8   6 -10.655   4.645   9.552
   38    HG   MK8   6           HG       MK8   6  -8.118   4.736   7.870
   39    HGA  MK8   6           HGA      MK8   6  -9.030   4.887   6.389
   40    HB1  MK8   6           HB1      MK8   6  -8.005   0.399   6.546
   41   HB1A  MK8   6          HB1A      MK8   6  -9.616   1.067   6.688
   42   HB1B  MK8   6          HB1B      MK8   6  -9.172   0.203   5.245
   43    H    LYS   7           H        LYS   7  -7.927   4.054   3.740
   44    HA   LYS   7           HA       LYS   7 -10.555   5.047   3.323
   45    HB2  LYS   7           HB2      LYS   7  -7.953   5.922   2.796
   46    HB3  LYS   7           HB3      LYS   7  -8.697   5.752   1.212
   47    HG2  LYS   7           HG2      LYS   7 -10.404   7.293   1.740
   48    HG3  LYS   7           HG3      LYS   7  -9.999   7.263   3.457
   49    HD2  LYS   7           HD2      LYS   7  -9.099   9.279   2.656
   50    HD3  LYS   7           HD3      LYS   7  -7.722   8.180   2.766
   51    HE2  LYS   7           HE2      LYS   7  -7.748   7.794   0.413
   52    HE3  LYS   7           HE3      LYS   7  -9.288   8.633   0.232
   53    HZ1  LYS   7           HZ1      LYS   7  -8.105  10.667   1.049
   54    HZ2  LYS   7           HZ2      LYS   7  -7.612  10.114  -0.472
   55    HZ3  LYS   7           HZ3      LYS   7  -6.650   9.817   0.888
   56    H    ARG   8           H        ARG   8  -8.574   2.681   1.710
   57    HA   ARG   8           HA       ARG   8 -10.021   2.598  -0.732
   58    HB2  ARG   8           HB2      ARG   8  -7.664   1.662  -0.165
   59    HB3  ARG   8           HB3      ARG   8  -8.539   0.244   0.395
   60    HG2  ARG   8           HG2      ARG   8  -9.630   0.182  -1.887
   61    HG3  ARG   8           HG3      ARG   8  -8.430   1.377  -2.380
   62    HD2  ARG   8           HD2      ARG   8  -6.657  -0.103  -2.103
   63    HD3  ARG   8           HD3      ARG   8  -7.588  -1.167  -1.049
   64    HE   ARG   8           HE       ARG   8  -8.293  -2.286  -2.904
   65   HH11  ARG   8          HH11      ARG   8  -7.416   0.579  -5.558
   66   HH12  ARG   8          HH12      ARG   8  -7.221   0.883  -3.864
   67   HH21  ARG   8          HH21      ARG   8  -8.175  -1.460  -6.279
   68   HH22  ARG   8          HH22      ARG   8  -8.554  -2.700  -5.131
   69    H    ILE   9           H        ILE   9 -10.318   0.919   2.345
   70    HA   ILE   9           HA       ILE   9 -12.454  -0.778   1.350
   71    HB   ILE   9           HB       ILE   9 -11.343  -0.504   4.146
   72   HG12  ILE   9          HG12      ILE   9 -10.885  -2.743   2.173
   73   HG13  ILE   9          HG13      ILE   9  -9.789  -1.375   2.329
   74   HG21  ILE   9          HG21      ILE   9 -12.457  -2.890   4.207
   75   HG22  ILE   9          HG22      ILE   9 -13.393  -1.435   4.542
   76   HG23  ILE   9          HG23      ILE   9 -13.480  -2.193   2.952
   77   HD11  ILE   9          HD11      ILE   9  -8.973  -2.083   4.322
   78   HD12  ILE   9          HD12      ILE   9 -10.481  -2.869   4.790
   79   HD13  ILE   9          HD13      ILE   9  -9.409  -3.642   3.624
   80    H    MK8  10           H2       MK8  10 -12.085   1.940   3.711
   81    HB   MK8  10           HB       MK8  10 -12.586   4.284   3.908
   82    HBA  MK8  10           HBA      MK8  10 -14.156   4.813   4.461
   83    HD   MK8  10           HD       MK8  10 -11.208   5.117   5.794
   84    HDA  MK8  10           HDA      MK8  10 -12.654   6.038   6.133
   85    HE   MK8  10           HE       MK8  10 -12.396   5.850   8.462
   86    HG   MK8  10           HG       MK8  10 -13.873   3.892   6.659
   87    HGA  MK8  10           HGA      MK8  10 -12.447   2.979   6.187
   88    HB1  MK8  10           HB1      MK8  10 -14.435   1.641   5.827
   89   HB1A  MK8  10          HB1A      MK8  10 -15.744   2.744   5.360
   90   HB1B  MK8  10          HB1B      MK8  10 -15.529   1.196   4.540
   91    H    TYR  11           H        TYR  11 -13.164   3.341   1.728
   92    HA   TYR  11           HA       TYR  11 -15.175   4.690   0.413
   93    HB2  TYR  11           HB2      TYR  11 -12.916   4.703  -0.435
   94    HB3  TYR  11           HB3      TYR  11 -12.968   2.970  -0.731
   95    HD1  TYR  11           HD1      TYR  11 -13.943   2.087  -2.720
   96    HD2  TYR  11           HD2      TYR  11 -14.248   6.242  -1.858
   97    HE1  TYR  11           HE1      TYR  11 -14.737   2.498  -5.012
   98    HE2  TYR  11           HE2      TYR  11 -15.044   6.664  -4.146
   99    HH   TYR  11           HH       TYR  11 -14.632   5.005  -6.572
  100    H    SER  12           H        SER  12 -14.651   1.235   0.687
  101    HA   SER  12           HA       SER  12 -16.553   0.478  -1.295
  102    HB2  SER  12           HB2      SER  12 -14.590  -0.858   0.002
  103    HB3  SER  12           HB3      SER  12 -15.991  -1.410   0.919
  104    HG   SER  12           HG       SER  12 -16.801  -2.357  -0.847
  105    H    LEU  13           H        LEU  13 -16.657   0.375   2.268
  106    HA   LEU  13           HA       LEU  13 -19.277  -0.451   2.577
  107    HB2  LEU  13           HB2      LEU  13 -17.335   0.106   4.287
  108    HB3  LEU  13           HB3      LEU  13 -18.222   1.622   4.429
  109    HG   LEU  13           HG       LEU  13 -18.871   0.116   6.200
  110   HD11  LEU  13          HD11      LEU  13 -21.240  -0.076   4.438
  111   HD12  LEU  13          HD12      LEU  13 -20.567   1.532   4.707
  112   HD13  LEU  13          HD13      LEU  13 -21.090   0.554   6.079
  113   HD21  LEU  13          HD21      LEU  13 -18.696  -1.848   4.139
  114   HD22  LEU  13          HD22      LEU  13 -20.317  -1.887   4.834
  115   HD23  LEU  13          HD23      LEU  13 -18.906  -2.077   5.876
  116    H    LEU  14           H        LEU  14 -18.041   2.871   2.316
  117    HA   LEU  14           HA       LEU  14 -20.647   4.048   2.434
  118    HB2  LEU  14           HB2      LEU  14 -18.011   4.945   2.618
  119    HB3  LEU  14           HB3      LEU  14 -18.658   5.717   1.174
  120    HG   LEU  14           HG       LEU  14 -20.485   5.928   3.414
  121   HD11  LEU  14          HD11      LEU  14 -18.274   5.838   4.615
  122   HD12  LEU  14          HD12      LEU  14 -19.217   7.308   4.860
  123   HD13  LEU  14          HD13      LEU  14 -17.839   7.317   3.759
  124   HD21  LEU  14          HD21      LEU  14 -19.173   7.723   1.417
  125   HD22  LEU  14          HD22      LEU  14 -20.026   8.414   2.797
  126   HD23  LEU  14          HD23      LEU  14 -20.885   7.374   1.660
  127    HN1  NH2  15           HN1      NH2  15 -22.103   4.163   0.857
  128    HN2  NH2  15           HN2      NH2  15 -21.776   4.075  -0.841
  Start of MODEL   10
    1    H1   ACE   1           H1       ACE   1  -4.056   6.072  10.512
    2    H2   ACE   1           H2       ACE   1  -5.569   5.617   9.690
    3    H3   ACE   1           H3       ACE   1  -4.139   4.563   9.571
    4    H    LEU   2           H        LEU   2  -2.218   5.534   8.597
    5    HA   LEU   2           HA       LEU   2  -2.143   7.841   7.088
    6    HB2  LEU   2           HB2      LEU   2  -0.228   7.021   6.117
    7    HB3  LEU   2           HB3      LEU   2  -0.319   6.076   7.601
    8    HG   LEU   2           HG       LEU   2  -1.629   4.454   5.850
    9   HD11  LEU   2          HD11      LEU   2  -1.096   5.960   3.977
   10   HD12  LEU   2          HD12      LEU   2  -0.364   4.366   3.794
   11   HD13  LEU   2          HD13      LEU   2   0.622   5.734   4.306
   12   HD21  LEU   2          HD21      LEU   2   0.379   4.143   7.490
   13   HD22  LEU   2          HD22      LEU   2   1.348   4.305   6.026
   14   HD23  LEU   2          HD23      LEU   2   0.146   3.019   6.151
   15    HA   PRO   3           HA       PRO   3  -4.778   7.289   3.620
   16    HB2  PRO   3           HB2      PRO   3  -3.402   8.614   1.692
   17    HB3  PRO   3           HB3      PRO   3  -4.237   9.438   3.015
   18    HG2  PRO   3           HG2      PRO   3  -1.332   8.767   2.733
   19    HG3  PRO   3           HG3      PRO   3  -2.084  10.262   3.317
   20    HD2  PRO   3           HD2      PRO   3  -1.075   8.389   4.991
   21    HD3  PRO   3           HD3      PRO   3  -2.475   9.396   5.417
   22    H    GLY   4           H        GLY   4  -4.480   4.973   3.463
   23    HA2  GLY   4           HA2      GLY   4  -2.840   4.243   1.119
   24    HA3  GLY   4           HA3      GLY   4  -2.835   3.248   2.569
   25    H    HIS   5           H        HIS   5  -4.668   2.011   3.086
   26    HA   HIS   5           HA       HIS   5  -6.602   1.730   0.878
   27    HB2  HIS   5           HB2      HIS   5  -4.810  -0.197   1.955
   28    HB3  HIS   5           HB3      HIS   5  -6.441  -0.677   2.416
   29    HD1  HIS   5           HD1      HIS   5  -4.384   0.076  -0.665
   30    HD2  HIS   5           HD2      HIS   5  -7.932  -1.799   0.409
   31    HE1  HIS   5           HE1      HIS   5  -5.190  -1.083  -2.747
   32    H    MK8   6           H2       MK8   6  -6.255   2.635   4.143
   33    HB   MK8   6           HB       MK8   6  -6.826   3.162   6.543
   34    HBA  MK8   6           HBA      MK8   6  -7.360   4.478   5.536
   35    HD   MK8   6           HD       MK8   6  -9.687   5.637   8.101
   36    HDA  MK8   6           HDA      MK8   6  -8.213   6.040   7.261
   37    HE   MK8   6           HE       MK8   6  -9.379   6.492   5.266
   38    HG   MK8   6           HG       MK8   6  -9.687   3.387   7.018
   39    HGA  MK8   6           HGA      MK8   6  -8.353   3.661   8.107
   40    HB1  MK8   6           HB1      MK8   6  -8.940   0.444   5.037
   41   HB1A  MK8   6          HB1A      MK8   6  -7.782   0.828   6.303
   42   HB1B  MK8   6          HB1B      MK8   6  -9.456   1.368   6.418
   43    H    LYS   7           H        LYS   7  -8.074   4.415   3.386
   44    HA   LYS   7           HA       LYS   7 -10.806   5.193   3.159
   45    HB2  LYS   7           HB2      LYS   7  -8.764   6.675   2.844
   46    HB3  LYS   7           HB3      LYS   7  -8.576   5.928   1.265
   47    HG2  LYS   7           HG2      LYS   7 -10.444   6.946   0.405
   48    HG3  LYS   7           HG3      LYS   7 -11.198   7.141   1.989
   49    HD2  LYS   7           HD2      LYS   7 -10.535   9.280   1.804
   50    HD3  LYS   7           HD3      LYS   7  -8.949   8.656   2.263
   51    HE2  LYS   7           HE2      LYS   7  -8.285   8.493  -0.038
   52    HE3  LYS   7           HE3      LYS   7  -9.909   8.905  -0.584
   53    HZ1  LYS   7           HZ1      LYS   7  -8.536  10.808   1.161
   54    HZ2  LYS   7           HZ2      LYS   7  -9.615  11.093  -0.110
   55    HZ3  LYS   7           HZ3      LYS   7  -8.004  10.694  -0.442
   56    H    ARG   8           H        ARG   8  -8.753   2.988   1.442
   57    HA   ARG   8           HA       ARG   8 -10.323   2.831  -0.934
   58    HB2  ARG   8           HB2      ARG   8  -7.914   2.175  -0.772
   59    HB3  ARG   8           HB3      ARG   8  -8.404   0.774   0.171
   60    HG2  ARG   8           HG2      ARG   8  -8.917  -0.377  -1.654
   61    HG3  ARG   8           HG3      ARG   8  -9.889   0.947  -2.298
   62    HD2  ARG   8           HD2      ARG   8  -6.912   1.123  -2.392
   63    HD3  ARG   8           HD3      ARG   8  -7.760   0.124  -3.572
   64    HE   ARG   8           HE       ARG   8  -8.816   2.786  -3.344
   65   HH11  ARG   8          HH11      ARG   8  -6.232   1.824  -6.247
   66   HH12  ARG   8          HH12      ARG   8  -6.416   0.781  -4.875
   67   HH21  ARG   8          HH21      ARG   8  -7.464   3.749  -6.399
   68   HH22  ARG   8          HH22      ARG   8  -8.583   4.166  -5.145
   69    H    ILE   9           H        ILE   9 -10.276   1.114   2.130
   70    HA   ILE   9           HA       ILE   9 -12.309  -0.764   1.229
   71    HB   ILE   9           HB       ILE   9 -11.025  -0.479   3.949
   72   HG12  ILE   9          HG12      ILE   9 -10.480  -2.574   1.845
   73   HG13  ILE   9          HG13      ILE   9  -9.512  -1.114   2.011
   74   HG21  ILE   9          HG21      ILE   9 -12.793  -2.628   2.790
   75   HG22  ILE   9          HG22      ILE   9 -11.918  -2.762   4.314
   76   HG23  ILE   9          HG23      ILE   9 -13.176  -1.542   4.126
   77   HD11  ILE   9          HD11      ILE   9  -8.320  -2.738   3.167
   78   HD12  ILE   9          HD12      ILE   9  -9.166  -1.852   4.434
   79   HD13  ILE   9          HD13      ILE   9  -9.771  -3.419   3.899
   80    H    MK8  10           H2       MK8  10 -12.007   1.942   3.598
   81    HB   MK8  10           HB       MK8  10 -12.740   4.257   3.975
   82    HBA  MK8  10           HBA      MK8  10 -14.261   4.527   4.790
   83    HD   MK8  10           HD       MK8  10 -13.080   5.635   6.860
   84    HDA  MK8  10           HDA      MK8  10 -11.786   4.761   7.642
   85    HE   MK8  10           HE       MK8  10 -11.692   6.166   4.898
   86    HG   MK8  10           HG       MK8  10 -13.507   3.272   6.788
   87    HGA  MK8  10           HGA      MK8  10 -11.976   2.907   6.042
   88    HB1  MK8  10           HB1      MK8  10 -15.353   0.863   4.639
   89   HB1A  MK8  10          HB1A      MK8  10 -14.171   1.291   5.855
   90   HB1B  MK8  10          HB1B      MK8  10 -15.573   2.341   5.577
   91    H    TYR  11           H        TYR  11 -13.332   3.248   1.756
   92    HA   TYR  11           HA       TYR  11 -15.514   4.493   0.627
   93    HB2  TYR  11           HB2      TYR  11 -13.374   4.679  -0.427
   94    HB3  TYR  11           HB3      TYR  11 -13.280   2.939  -0.682
   95    HD1  TYR  11           HD1      TYR  11 -15.101   6.002  -1.714
   96    HD2  TYR  11           HD2      TYR  11 -14.158   1.956  -2.637
   97    HE1  TYR  11           HE1      TYR  11 -16.098   6.284  -3.945
   98    HE2  TYR  11           HE2      TYR  11 -15.152   2.229  -4.869
   99    HH   TYR  11           HH       TYR  11 -16.722   3.629  -6.028
  100    H    SER  12           H        SER  12 -14.762   1.066   0.754
  101    HA   SER  12           HA       SER  12 -16.665   0.158  -1.103
  102    HB2  SER  12           HB2      SER  12 -14.711  -1.058   0.288
  103    HB3  SER  12           HB3      SER  12 -16.096  -1.550   1.261
  104    HG   SER  12           HG       SER  12 -15.720  -3.044  -0.400
  105    H    LEU  13           H        LEU  13 -16.861   0.312   2.455
  106    HA   LEU  13           HA       LEU  13 -19.507  -0.528   2.701
  107    HB2  LEU  13           HB2      LEU  13 -17.514   0.760   4.376
  108    HB3  LEU  13           HB3      LEU  13 -19.151   1.291   4.754
  109    HG   LEU  13           HG       LEU  13 -18.494  -0.543   6.196
  110   HD11  LEU  13          HD11      LEU  13 -20.397  -1.937   5.902
  111   HD12  LEU  13          HD12      LEU  13 -20.488  -1.559   4.182
  112   HD13  LEU  13          HD13      LEU  13 -20.851  -0.316   5.379
  113   HD21  LEU  13          HD21      LEU  13 -17.716  -2.594   5.478
  114   HD22  LEU  13          HD22      LEU  13 -16.941  -1.492   4.338
  115   HD23  LEU  13          HD23      LEU  13 -18.377  -2.397   3.855
  116    H    LEU  14           H        LEU  14 -18.239   2.803   2.627
  117    HA   LEU  14           HA       LEU  14 -20.683   4.132   2.739
  118    HB2  LEU  14           HB2      LEU  14 -18.026   4.845   2.497
  119    HB3  LEU  14           HB3      LEU  14 -18.747   5.436   1.002
  120    HG   LEU  14           HG       LEU  14 -18.664   7.158   2.751
  121   HD11  LEU  14          HD11      LEU  14 -21.112   7.741   2.690
  122   HD12  LEU  14          HD12      LEU  14 -21.376   6.200   1.873
  123   HD13  LEU  14          HD13      LEU  14 -20.361   7.431   1.124
  124   HD21  LEU  14          HD21      LEU  14 -20.678   5.510   4.259
  125   HD22  LEU  14          HD22      LEU  14 -19.881   6.999   4.769
  126   HD23  LEU  14          HD23      LEU  14 -18.956   5.503   4.637
  127    HN1  NH2  15           HN1      NH2  15 -22.380   3.907   1.438
  128    HN2  NH2  15           HN2      NH2  15 -22.328   3.725  -0.283
  Start of MODEL   11
    1    H1   ACE   1           H1       ACE   1  -0.244   6.767  12.199
    2    H2   ACE   1           H2       ACE   1  -1.854   6.010  12.170
    3    H3   ACE   1           H3       ACE   1  -0.432   5.061  12.666
    4    H    LEU   2           H        LEU   2  -2.007   6.701  10.007
    5    HA   LEU   2           HA       LEU   2  -2.080   6.249   7.776
    6    HB2  LEU   2           HB2      LEU   2   0.087   7.341   7.869
    7    HB3  LEU   2           HB3      LEU   2   0.864   5.807   8.255
    8    HG   LEU   2           HG       LEU   2  -0.221   5.124   5.921
    9   HD11  LEU   2          HD11      LEU   2   0.257   8.088   5.661
   10   HD12  LEU   2          HD12      LEU   2  -1.307   7.279   5.570
   11   HD13  LEU   2          HD13      LEU   2  -0.083   6.973   4.338
   12   HD21  LEU   2          HD21      LEU   2   2.337   5.945   6.860
   13   HD22  LEU   2          HD22      LEU   2   2.117   6.556   5.221
   14   HD23  LEU   2          HD23      LEU   2   1.946   4.831   5.549
   15    HA   PRO   3           HA       PRO   3  -2.183   1.663   8.551
   16    HB2  PRO   3           HB2      PRO   3  -4.808   1.375   7.924
   17    HB3  PRO   3           HB3      PRO   3  -4.248   1.788   9.549
   18    HG2  PRO   3           HG2      PRO   3  -5.321   3.577   7.403
   19    HG3  PRO   3           HG3      PRO   3  -5.671   3.583   9.141
   20    HD2  PRO   3           HD2      PRO   3  -3.940   5.324   7.998
   21    HD3  PRO   3           HD3      PRO   3  -3.733   4.720   9.654
   22    H    GLY   4           H        GLY   4  -3.558   3.659   5.970
   23    HA2  GLY   4           HA2      GLY   4  -3.217   3.466   3.682
   24    HA3  GLY   4           HA3      GLY   4  -2.294   1.999   3.973
   25    H    HIS   5           H        HIS   5  -4.623   2.833   2.141
   26    HA   HIS   5           HA       HIS   5  -6.363   1.767   1.133
   27    HB2  HIS   5           HB2      HIS   5  -4.745  -0.301   2.172
   28    HB3  HIS   5           HB3      HIS   5  -6.408  -0.733   2.560
   29    HD1  HIS   5           HD1      HIS   5  -4.312   0.229  -0.454
   30    HD2  HIS   5           HD2      HIS   5  -7.791  -1.836   0.493
   31    HE1  HIS   5           HE1      HIS   5  -5.075  -0.826  -2.606
   32    H    MK8   6           H2       MK8   6  -6.360   2.682   4.323
   33    HB   MK8   6           HB       MK8   6  -7.358   2.944   6.921
   34    HBA  MK8   6           HBA      MK8   6  -7.023   4.155   5.705
   35    HD   MK8   6           HD       MK8   6 -10.531   3.204   6.881
   36    HDA  MK8   6           HDA      MK8   6  -9.559   3.188   8.334
   37    HE   MK8   6           HE       MK8   6 -10.767   5.015   9.251
   38    HG   MK8   6           HG       MK8   6  -8.266   5.145   7.510
   39    HGA  MK8   6           HGA      MK8   6  -9.219   5.214   6.051
   40    HB1  MK8   6           HB1      MK8   6  -9.461   1.392   6.567
   41   HB1A  MK8   6          HB1A      MK8   6  -9.356   0.588   5.024
   42   HB1B  MK8   6          HB1B      MK8   6  -7.940   0.682   6.065
   43    H    LYS   7           H        LYS   7  -8.130   4.480   3.460
   44    HA   LYS   7           HA       LYS   7 -10.831   5.225   2.996
   45    HB2  LYS   7           HB2      LYS   7  -8.280   6.305   2.471
   46    HB3  LYS   7           HB3      LYS   7  -9.071   6.145   0.909
   47    HG2  LYS   7           HG2      LYS   7 -11.033   7.363   1.875
   48    HG3  LYS   7           HG3      LYS   7 -10.049   7.670   3.310
   49    HD2  LYS   7           HD2      LYS   7  -8.669   9.135   2.216
   50    HD3  LYS   7           HD3      LYS   7  -8.916   8.366   0.647
   51    HE2  LYS   7           HE2      LYS   7 -10.966   9.431   0.316
   52    HE3  LYS   7           HE3      LYS   7 -11.147   9.818   2.026
   53    HZ1  LYS   7           HZ1      LYS   7 -10.531  11.719   0.539
   54    HZ2  LYS   7           HZ2      LYS   7  -9.018  10.990   0.332
   55    HZ3  LYS   7           HZ3      LYS   7  -9.512  11.490   1.872
   56    H    ARG   8           H        ARG   8  -8.784   2.859   1.611
   57    HA   ARG   8           HA       ARG   8 -10.087   2.721  -0.943
   58    HB2  ARG   8           HB2      ARG   8  -8.123   0.956   0.501
   59    HB3  ARG   8           HB3      ARG   8  -8.848   0.467  -1.025
   60    HG2  ARG   8           HG2      ARG   8  -7.224   2.964  -0.581
   61    HG3  ARG   8           HG3      ARG   8  -6.644   1.477  -1.332
   62    HD2  ARG   8           HD2      ARG   8  -8.961   2.088  -2.726
   63    HD3  ARG   8           HD3      ARG   8  -8.187   3.652  -2.468
   64    HE   ARG   8           HE       ARG   8  -6.178   2.028  -3.353
   65   HH11  ARG   8          HH11      ARG   8  -8.857   2.811  -6.223
   66   HH12  ARG   8          HH12      ARG   8  -9.309   2.957  -4.557
   67   HH21  ARG   8          HH21      ARG   8  -6.729   2.172  -6.783
   68   HH22  ARG   8          HH22      ARG   8  -5.571   1.834  -5.543
   69    H    ILE   9           H        ILE   9 -10.376   1.071   2.151
   70    HA   ILE   9           HA       ILE   9 -12.434  -0.707   1.092
   71    HB   ILE   9           HB       ILE   9 -11.261  -0.542   3.870
   72   HG12  ILE   9          HG12      ILE   9 -10.784  -2.618   1.727
   73   HG13  ILE   9          HG13      ILE   9  -9.701  -1.264   2.031
   74   HG21  ILE   9          HG21      ILE   9 -13.535  -1.980   2.769
   75   HG22  ILE   9          HG22      ILE   9 -12.357  -3.045   3.534
   76   HG23  ILE   9          HG23      ILE   9 -13.067  -1.718   4.450
   77   HD11  ILE   9          HD11      ILE   9  -8.745  -2.302   3.743
   78   HD12  ILE   9          HD12      ILE   9 -10.300  -2.756   4.440
   79   HD13  ILE   9          HD13      ILE   9  -9.571  -3.756   3.185
   80    H    MK8  10           H2       MK8  10 -12.106   1.994   3.460
   81    HB   MK8  10           HB       MK8  10 -12.755   4.317   3.667
   82    HBA  MK8  10           HBA      MK8  10 -14.345   4.751   4.240
   83    HD   MK8  10           HD       MK8  10 -11.410   5.317   5.496
   84    HDA  MK8  10           HDA      MK8  10 -12.914   6.143   5.825
   85    HE   MK8  10           HE       MK8  10 -12.591   6.079   8.151
   86    HG   MK8  10           HG       MK8  10 -13.959   3.929   6.457
   87    HGA  MK8  10           HGA      MK8  10 -12.480   3.108   5.983
   88    HB1  MK8  10           HB1      MK8  10 -15.722   2.583   5.286
   89   HB1A  MK8  10          HB1A      MK8  10 -15.456   1.036   4.478
   90   HB1B  MK8  10          HB1B      MK8  10 -14.323   1.576   5.696
   91    H    TYR  11           H        TYR  11 -13.355   3.259   1.501
   92    HA   TYR  11           HA       TYR  11 -15.454   4.553   0.278
   93    HB2  TYR  11           HB2      TYR  11 -13.211   4.507  -0.674
   94    HB3  TYR  11           HB3      TYR  11 -13.363   2.787  -1.010
   95    HD1  TYR  11           HD1      TYR  11 -14.491   2.007  -2.956
   96    HD2  TYR  11           HD2      TYR  11 -14.588   6.140  -1.952
   97    HE1  TYR  11           HE1      TYR  11 -15.424   2.518  -5.173
   98    HE2  TYR  11           HE2      TYR  11 -15.524   6.663  -4.166
   99    HH   TYR  11           HH       TYR  11 -16.028   5.859  -6.187
  100    H    SER  12           H        SER  12 -14.919   1.118   0.659
  101    HA   SER  12           HA       SER  12 -16.956   0.313  -1.185
  102    HB2  SER  12           HB2      SER  12 -14.871  -0.974   0.050
  103    HB3  SER  12           HB3      SER  12 -16.261  -1.596   0.940
  104    HG   SER  12           HG       SER  12 -15.415  -2.342  -1.437
  105    H    LEU  13           H        LEU  13 -16.748   0.173   2.374
  106    HA   LEU  13           HA       LEU  13 -19.343  -0.638   2.888
  107    HB2  LEU  13           HB2      LEU  13 -17.528  -0.493   4.557
  108    HB3  LEU  13           HB3      LEU  13 -17.687   1.263   4.541
  109    HG   LEU  13           HG       LEU  13 -20.203   0.611   5.186
  110   HD11  LEU  13          HD11      LEU  13 -19.611  -1.821   5.124
  111   HD12  LEU  13          HD12      LEU  13 -20.306  -1.266   6.645
  112   HD13  LEU  13          HD13      LEU  13 -18.568  -1.538   6.518
  113   HD21  LEU  13          HD21      LEU  13 -17.821   0.872   7.011
  114   HD22  LEU  13          HD22      LEU  13 -19.493   0.918   7.569
  115   HD23  LEU  13          HD23      LEU  13 -18.901   2.151   6.454
  116    H    LEU  14           H        LEU  14 -18.095   2.694   2.728
  117    HA   LEU  14           HA       LEU  14 -20.583   3.951   3.146
  118    HB2  LEU  14           HB2      LEU  14 -17.883   4.740   2.339
  119    HB3  LEU  14           HB3      LEU  14 -19.155   5.753   1.661
  120    HG   LEU  14           HG       LEU  14 -18.190   6.647   3.755
  121   HD11  LEU  14          HD11      LEU  14 -20.557   6.653   4.964
  122   HD12  LEU  14          HD12      LEU  14 -21.059   5.996   3.407
  123   HD13  LEU  14          HD13      LEU  14 -20.250   7.560   3.482
  124   HD21  LEU  14          HD21      LEU  14 -18.466   3.978   4.615
  125   HD22  LEU  14          HD22      LEU  14 -19.564   4.947   5.600
  126   HD23  LEU  14          HD23      LEU  14 -17.849   5.356   5.527
  127    HN1  NH2  15           HN1      NH2  15 -18.935   2.794   0.252
  128    HN2  NH2  15           HN2      NH2  15 -20.216   3.134  -0.861
  Start of MODEL   12
    1    H1   ACE   1           H1       ACE   1  -6.509  13.188   0.630
    2    H2   ACE   1           H2       ACE   1  -5.121  13.924   1.468
    3    H3   ACE   1           H3       ACE   1  -5.584  14.490  -0.155
    4    H    LEU   2           H        LEU   2  -3.647  12.433   1.628
    5    HA   LEU   2           HA       LEU   2  -2.314  11.449  -0.690
    6    HB2  LEU   2           HB2      LEU   2  -1.977  11.250   2.237
    7    HB3  LEU   2           HB3      LEU   2  -1.280   9.944   1.282
    8    HG   LEU   2           HG       LEU   2   0.032  11.615   0.017
    9   HD11  LEU   2          HD11      LEU   2  -1.280  13.575   0.187
   10   HD12  LEU   2          HD12      LEU   2   0.211  13.897   1.070
   11   HD13  LEU   2          HD13      LEU   2  -1.271  13.517   1.949
   12   HD21  LEU   2          HD21      LEU   2   1.569  11.025   1.506
   13   HD22  LEU   2          HD22      LEU   2   0.352  10.849   2.772
   14   HD23  LEU   2          HD23      LEU   2   1.095  12.421   2.474
   15    HA   PRO   3           HA       PRO   3  -4.266   7.589  -1.418
   16    HB2  PRO   3           HB2      PRO   3  -2.165   5.962  -1.972
   17    HB3  PRO   3           HB3      PRO   3  -2.719   7.225  -3.079
   18    HG2  PRO   3           HG2      PRO   3  -0.437   7.271  -1.143
   19    HG3  PRO   3           HG3      PRO   3  -0.502   7.866  -2.812
   20    HD2  PRO   3           HD2      PRO   3  -0.725   9.509  -0.671
   21    HD3  PRO   3           HD3      PRO   3  -1.556   9.825  -2.207
   22    H    GLY   4           H        GLY   4  -4.770   5.571  -0.519
   23    HA2  GLY   4           HA2      GLY   4  -3.204   4.388   1.562
   24    HA3  GLY   4           HA3      GLY   4  -4.587   5.261   2.206
   25    H    HIS   5           H        HIS   5  -4.863   2.884   2.931
   26    HA   HIS   5           HA       HIS   5  -6.516   1.508   0.913
   27    HB2  HIS   5           HB2      HIS   5  -5.949  -0.606   2.173
   28    HB3  HIS   5           HB3      HIS   5  -4.603   0.133   1.311
   29    HD1  HIS   5           HD1      HIS   5  -2.920   1.564   2.866
   30    HD2  HIS   5           HD2      HIS   5  -5.515  -1.019   4.831
   31    HE1  HIS   5           HE1      HIS   5  -1.956   1.267   5.169
   32    H    MK8   6           H2       MK8   6  -6.172   2.466   4.334
   33    HB   MK8   6           HB       MK8   6  -6.996   2.619   6.943
   34    HBA  MK8   6           HBA      MK8   6  -6.844   3.931   5.805
   35    HD   MK8   6           HD       MK8   6 -10.269   2.778   7.055
   36    HDA  MK8   6           HDA      MK8   6  -9.236   2.604   8.456
   37    HE   MK8   6           HE       MK8   6 -10.416   4.306   9.619
   38    HG   MK8   6           HG       MK8   6  -7.996   4.673   7.805
   39    HGA  MK8   6           HGA      MK8   6  -9.005   4.869   6.393
   40    HB1  MK8   6           HB1      MK8   6  -9.226   0.999   6.530
   41   HB1A  MK8   6          HB1A      MK8   6  -9.000   0.297   4.947
   42   HB1B  MK8   6          HB1B      MK8   6  -7.638   0.425   6.053
   43    H    LYS   7           H        LYS   7  -8.035   4.283   3.599
   44    HA   LYS   7           HA       LYS   7 -10.742   5.121   3.398
   45    HB2  LYS   7           HB2      LYS   7  -8.522   6.456   3.048
   46    HB3  LYS   7           HB3      LYS   7  -8.652   5.887   1.390
   47    HG2  LYS   7           HG2      LYS   7 -11.078   6.838   1.562
   48    HG3  LYS   7           HG3      LYS   7 -10.392   7.787   2.884
   49    HD2  LYS   7           HD2      LYS   7  -8.696   7.775   0.520
   50    HD3  LYS   7           HD3      LYS   7 -10.307   8.422   0.195
   51    HE2  LYS   7           HE2      LYS   7  -8.716  10.169   0.879
   52    HE3  LYS   7           HE3      LYS   7 -10.065  10.014   2.003
   53    HZ1  LYS   7           HZ1      LYS   7  -7.821   8.365   2.697
   54    HZ2  LYS   7           HZ2      LYS   7  -8.704   9.445   3.654
   55    HZ3  LYS   7           HZ3      LYS   7  -7.442  10.014   2.681
   56    H    ARG   8           H        ARG   8  -8.723   2.976   1.539
   57    HA   ARG   8           HA       ARG   8 -10.322   2.917  -0.809
   58    HB2  ARG   8           HB2      ARG   8  -7.889   2.134  -0.497
   59    HB3  ARG   8           HB3      ARG   8  -8.587   0.647   0.132
   60    HG2  ARG   8           HG2      ARG   8  -9.849   0.428  -2.015
   61    HG3  ARG   8           HG3      ARG   8  -8.919   1.798  -2.625
   62    HD2  ARG   8           HD2      ARG   8  -7.771  -0.805  -1.622
   63    HD3  ARG   8           HD3      ARG   8  -7.953  -0.348  -3.316
   64    HE   ARG   8           HE       ARG   8  -5.912   0.528  -1.494
   65   HH11  ARG   8          HH11      ARG   8  -6.444   2.329  -5.028
   66   HH12  ARG   8          HH12      ARG   8  -7.681   1.298  -4.392
   67   HH21  ARG   8          HH21      ARG   8  -4.507   2.662  -3.852
   68   HH22  ARG   8          HH22      ARG   8  -4.276   1.885  -2.322
   69    H    ILE   9           H        ILE   9 -10.307   1.071   2.186
   70    HA   ILE   9           HA       ILE   9 -12.391  -0.715   1.238
   71    HB   ILE   9           HB       ILE   9 -11.199  -0.514   4.005
   72   HG12  ILE   9          HG12      ILE   9  -9.499  -1.025   2.280
   73   HG13  ILE   9          HG13      ILE   9  -9.770  -2.380   3.369
   74   HG21  ILE   9          HG21      ILE   9 -13.030  -2.469   2.665
   75   HG22  ILE   9          HG22      ILE   9 -12.012  -2.956   4.018
   76   HG23  ILE   9          HG23      ILE   9 -13.203  -1.675   4.229
   77   HD11  ILE   9          HD11      ILE   9 -11.203  -3.427   1.674
   78   HD12  ILE   9          HD12      ILE   9 -10.860  -2.085   0.581
   79   HD13  ILE   9          HD13      ILE   9  -9.559  -3.156   1.098
   80    H    MK8  10           H2       MK8  10 -12.042   1.909   3.704
   81    HB   MK8  10           HB       MK8  10 -12.682   4.195   4.085
   82    HBA  MK8  10           HBA      MK8  10 -14.240   4.581   4.772
   83    HD   MK8  10           HD       MK8  10 -11.219   4.989   5.945
   84    HDA  MK8  10           HDA      MK8  10 -12.692   5.800   6.423
   85    HE   MK8  10           HE       MK8  10 -12.289   5.466   8.720
   86    HG   MK8  10           HG       MK8  10 -13.745   3.545   6.880
   87    HGA  MK8  10           HGA      MK8  10 -12.302   2.764   6.257
   88    HB1  MK8  10           HB1      MK8  10 -14.201   1.343   5.957
   89   HB1A  MK8  10          HB1A      MK8  10 -15.638   2.322   5.616
   90   HB1B  MK8  10          HB1B      MK8  10 -15.311   0.832   4.717
   91    H    TYR  11           H        TYR  11 -13.337   3.326   1.880
   92    HA   TYR  11           HA       TYR  11 -15.511   4.600   0.763
   93    HB2  TYR  11           HB2      TYR  11 -13.317   4.808  -0.218
   94    HB3  TYR  11           HB3      TYR  11 -13.277   3.092  -0.605
   95    HD1  TYR  11           HD1      TYR  11 -14.517   6.368  -1.601
   96    HD2  TYR  11           HD2      TYR  11 -14.639   2.200  -2.446
   97    HE1  TYR  11           HE1      TYR  11 -15.483   6.851  -3.810
   98    HE2  TYR  11           HE2      TYR  11 -15.605   2.671  -4.658
   99    HH   TYR  11           HH       TYR  11 -15.762   4.464  -6.256
  100    H    SER  12           H        SER  12 -14.748   1.179   0.818
  101    HA   SER  12           HA       SER  12 -16.664   0.357  -1.101
  102    HB2  SER  12           HB2      SER  12 -14.667  -0.973  -0.188
  103    HB3  SER  12           HB3      SER  12 -15.698  -1.347   1.192
  104    HG   SER  12           HG       SER  12 -17.183  -2.284  -0.259
  105    H    LEU  13           H        LEU  13 -16.746   0.629   2.428
  106    HA   LEU  13           HA       LEU  13 -19.240  -0.511   2.896
  107    HB2  LEU  13           HB2      LEU  13 -17.369   1.165   4.325
  108    HB3  LEU  13           HB3      LEU  13 -19.035   1.600   4.702
  109    HG   LEU  13           HG       LEU  13 -18.219   0.034   6.338
  110   HD11  LEU  13          HD11      LEU  13 -20.584  -0.136   5.207
  111   HD12  LEU  13          HD12      LEU  13 -20.048  -1.337   6.382
  112   HD13  LEU  13          HD13      LEU  13 -19.963  -1.694   4.657
  113   HD21  LEU  13          HD21      LEU  13 -17.488  -1.617   3.938
  114   HD22  LEU  13          HD22      LEU  13 -17.685  -2.327   5.540
  115   HD23  LEU  13          HD23      LEU  13 -16.459  -1.089   5.269
  116    H    LEU  14           H        LEU  14 -18.428   2.896   2.271
  117    HA   LEU  14           HA       LEU  14 -21.119   3.799   2.325
  118    HB2  LEU  14           HB2      LEU  14 -18.560   4.947   2.114
  119    HB3  LEU  14           HB3      LEU  14 -19.452   5.457   0.680
  120    HG   LEU  14           HG       LEU  14 -19.648   7.122   2.420
  121   HD11  LEU  14          HD11      LEU  14 -21.588   6.585   0.914
  122   HD12  LEU  14          HD12      LEU  14 -22.004   7.388   2.428
  123   HD13  LEU  14          HD13      LEU  14 -22.269   5.654   2.247
  124   HD21  LEU  14          HD21      LEU  14 -20.930   4.988   4.122
  125   HD22  LEU  14          HD22      LEU  14 -20.632   6.670   4.563
  126   HD23  LEU  14          HD23      LEU  14 -19.276   5.567   4.323
  127    HN1  NH2  15           HN1      NH2  15 -22.511   2.784   0.963
  128    HN2  NH2  15           HN2      NH2  15 -22.339   2.738  -0.759
  Start of MODEL   13
    1    H1   ACE   1           H1       ACE   1   2.886   8.042  -1.369
    2    H2   ACE   1           H2       ACE   1   2.065   9.069  -2.570
    3    H3   ACE   1           H3       ACE   1   1.444   8.977  -0.903
    4    H    LEU   2           H        LEU   2   1.758   6.226  -0.544
    5    HA   LEU   2           HA       LEU   2   0.713   4.554  -2.470
    6    HB2  LEU   2           HB2      LEU   2  -0.273   3.302  -0.440
    7    HB3  LEU   2           HB3      LEU   2   1.475   3.474  -0.581
    8    HG   LEU   2           HG       LEU   2   0.231   5.613   0.969
    9   HD11  LEU   2          HD11      LEU   2  -1.237   4.297   2.050
   10   HD12  LEU   2          HD12      LEU   2   0.193   3.739   2.916
   11   HD13  LEU   2          HD13      LEU   2  -0.431   2.808   1.555
   12   HD21  LEU   2          HD21      LEU   2   2.037   4.550   2.586
   13   HD22  LEU   2          HD22      LEU   2   2.497   5.566   1.219
   14   HD23  LEU   2          HD23      LEU   2   2.590   3.808   1.084
   15    HA   PRO   3           HA       PRO   3  -3.513   5.575  -3.066
   16    HB2  PRO   3           HB2      PRO   3  -4.644   3.124  -3.363
   17    HB3  PRO   3           HB3      PRO   3  -3.604   3.857  -4.589
   18    HG2  PRO   3           HG2      PRO   3  -2.931   1.806  -2.515
   19    HG3  PRO   3           HG3      PRO   3  -2.458   1.866  -4.222
   20    HD2  PRO   3           HD2      PRO   3  -0.797   2.623  -2.224
   21    HD3  PRO   3           HD3      PRO   3  -0.763   3.378  -3.830
   22    H    GLY   4           H        GLY   4  -2.615   3.507  -0.430
   23    HA2  GLY   4           HA2      GLY   4  -3.475   3.466   1.721
   24    HA3  GLY   4           HA3      GLY   4  -4.724   4.592   1.206
   25    H    HIS   5           H        HIS   5  -4.967   2.205   2.869
   26    HA   HIS   5           HA       HIS   5  -6.818   0.657   1.176
   27    HB2  HIS   5           HB2      HIS   5  -6.402  -1.206   2.881
   28    HB3  HIS   5           HB3      HIS   5  -5.098  -0.853   1.751
   29    HD1  HIS   5           HD1      HIS   5  -2.868  -0.466   2.769
   30    HD2  HIS   5           HD2      HIS   5  -5.943   0.067   5.511
   31    HE1  HIS   5           HE1      HIS   5  -1.737  -0.074   4.979
   32    H    MK8   6           H2       MK8   6  -6.285   2.261   4.316
   33    HB   MK8   6           HB       MK8   6  -6.997   2.951   6.892
   34    HBA  MK8   6           HBA      MK8   6  -6.836   4.035   5.539
   35    HD   MK8   6           HD       MK8   6 -10.285   3.288   6.994
   36    HDA  MK8   6           HDA      MK8   6  -9.242   3.247   8.403
   37    HE   MK8   6           HE       MK8   6 -10.342   5.158   9.307
   38    HG   MK8   6           HG       MK8   6  -7.902   5.134   7.453
   39    HGA  MK8   6           HGA      MK8   6  -8.922   5.175   6.034
   40    HB1  MK8   6           HB1      MK8   6  -9.037   0.345   5.407
   41   HB1A  MK8   6          HB1A      MK8   6  -7.895   0.815   6.656
   42   HB1B  MK8   6          HB1B      MK8   6  -9.544   1.400   6.685
   43    H    LYS   7           H        LYS   7  -7.967   4.086   3.389
   44    HA   LYS   7           HA       LYS   7 -10.614   5.084   3.072
   45    HB2  LYS   7           HB2      LYS   7  -8.108   5.987   2.413
   46    HB3  LYS   7           HB3      LYS   7  -8.762   5.547   0.841
   47    HG2  LYS   7           HG2      LYS   7 -10.512   7.086   1.009
   48    HG3  LYS   7           HG3      LYS   7 -10.302   7.269   2.751
   49    HD2  LYS   7           HD2      LYS   7  -8.173   8.069   0.782
   50    HD3  LYS   7           HD3      LYS   7  -9.462   9.170   1.276
   51    HE2  LYS   7           HE2      LYS   7  -8.212   9.722   3.030
   52    HE3  LYS   7           HE3      LYS   7  -8.465   8.092   3.651
   53    HZ1  LYS   7           HZ1      LYS   7  -6.493   7.543   2.070
   54    HZ2  LYS   7           HZ2      LYS   7  -6.196   8.212   3.595
   55    HZ3  LYS   7           HZ3      LYS   7  -6.151   9.194   2.218
   56    H    ARG   8           H        ARG   8  -8.687   2.659   1.438
   57    HA   ARG   8           HA       ARG   8 -10.341   2.379  -0.849
   58    HB2  ARG   8           HB2      ARG   8  -7.939   1.564  -0.538
   59    HB3  ARG   8           HB3      ARG   8  -8.628   0.204   0.339
   60    HG2  ARG   8           HG2      ARG   8  -9.839  -0.509  -1.608
   61    HG3  ARG   8           HG3      ARG   8  -9.330   0.929  -2.496
   62    HD2  ARG   8           HD2      ARG   8  -7.170   0.171  -2.748
   63    HD3  ARG   8           HD3      ARG   8  -7.261  -0.875  -1.332
   64    HE   ARG   8           HE       ARG   8  -9.020  -2.014  -3.027
   65   HH11  ARG   8          HH11      ARG   8  -5.328  -2.192  -4.567
   66   HH12  ARG   8          HH12      ARG   8  -5.712  -0.986  -3.384
   67   HH21  ARG   8          HH21      ARG   8  -6.930  -3.682  -5.250
   68   HH22  ARG   8          HH22      ARG   8  -8.526  -3.606  -4.586
   69    H    ILE   9           H        ILE   9 -10.340   0.911   2.344
   70    HA   ILE   9           HA       ILE   9 -12.480  -0.920   1.643
   71    HB   ILE   9           HB       ILE   9 -11.172  -0.399   4.316
   72   HG12  ILE   9          HG12      ILE   9 -10.804  -2.811   2.548
   73   HG13  ILE   9          HG13      ILE   9  -9.776  -1.390   2.398
   74   HG21  ILE   9          HG21      ILE   9 -13.519  -1.902   3.562
   75   HG22  ILE   9          HG22      ILE   9 -12.298  -2.942   4.291
   76   HG23  ILE   9          HG23      ILE   9 -12.889  -1.529   5.165
   77   HD11  ILE   9          HD11      ILE   9  -9.755  -1.966   5.107
   78   HD12  ILE   9          HD12      ILE   9  -9.683  -3.540   4.314
   79   HD13  ILE   9          HD13      ILE   9  -8.480  -2.308   3.938
   80    H    MK8  10           H2       MK8  10 -12.066   2.008   3.744
   81    HB   MK8  10           HB       MK8  10 -12.645   4.317   3.866
   82    HBA  MK8  10           HBA      MK8  10 -14.196   4.833   4.476
   83    HD   MK8  10           HD       MK8  10 -11.179   5.291   5.578
   84    HDA  MK8  10           HDA      MK8  10 -12.624   6.203   5.943
   85    HE   MK8  10           HE       MK8  10 -12.198   6.211   8.254
   86    HG   MK8  10           HG       MK8  10 -13.751   4.075   6.707
   87    HGA  MK8  10           HGA      MK8  10 -12.335   3.167   6.213
   88    HB1  MK8  10           HB1      MK8  10 -15.656   2.791   5.581
   89   HB1A  MK8  10          HB1A      MK8  10 -15.491   1.205   4.831
   90   HB1B  MK8  10          HB1B      MK8  10 -14.311   1.724   6.021
   91    H    TYR  11           H        TYR  11 -13.291   3.255   1.767
   92    HA   TYR  11           HA       TYR  11 -15.435   4.443   0.507
   93    HB2  TYR  11           HB2      TYR  11 -13.211   4.488  -0.457
   94    HB3  TYR  11           HB3      TYR  11 -13.242   2.745  -0.699
   95    HD1  TYR  11           HD1      TYR  11 -14.917   5.898  -1.738
   96    HD2  TYR  11           HD2      TYR  11 -14.070   1.839  -2.695
   97    HE1  TYR  11           HE1      TYR  11 -15.865   6.235  -3.983
   98    HE2  TYR  11           HE2      TYR  11 -15.014   2.166  -4.942
   99    HH   TYR  11           HH       TYR  11 -15.787   5.278  -6.177
  100    H    SER  12           H        SER  12 -14.750   1.040   0.958
  101    HA   SER  12           HA       SER  12 -16.585  -0.008  -0.898
  102    HB2  SER  12           HB2      SER  12 -14.732  -1.077   0.826
  103    HB3  SER  12           HB3      SER  12 -16.254  -1.588   1.554
  104    HG   SER  12           HG       SER  12 -15.255  -2.963  -0.165
  105    H    LEU  13           H        LEU  13 -16.927   0.802   2.535
  106    HA   LEU  13           HA       LEU  13 -19.627  -0.066   2.736
  107    HB2  LEU  13           HB2      LEU  13 -17.654   0.801   4.487
  108    HB3  LEU  13           HB3      LEU  13 -18.906   2.036   4.596
  109    HG   LEU  13           HG       LEU  13 -19.151   0.314   6.322
  110   HD11  LEU  13          HD11      LEU  13 -21.383   0.465   6.246
  111   HD12  LEU  13          HD12      LEU  13 -21.481  -0.307   4.662
  112   HD13  LEU  13          HD13      LEU  13 -21.111   1.414   4.784
  113   HD21  LEU  13          HD21      LEU  13 -19.767  -1.617   4.098
  114   HD22  LEU  13          HD22      LEU  13 -19.623  -1.951   5.824
  115   HD23  LEU  13          HD23      LEU  13 -18.192  -1.523   4.885
  116    H    LEU  14           H        LEU  14 -18.112   3.105   2.255
  117    HA   LEU  14           HA       LEU  14 -20.361   4.714   2.350
  118    HB2  LEU  14           HB2      LEU  14 -17.886   5.336   2.074
  119    HB3  LEU  14           HB3      LEU  14 -18.170   5.143   0.345
  120    HG   LEU  14           HG       LEU  14 -20.183   6.862   1.376
  121   HD11  LEU  14          HD11      LEU  14 -17.512   7.243   2.569
  122   HD12  LEU  14          HD12      LEU  14 -19.101   7.727   3.158
  123   HD13  LEU  14          HD13      LEU  14 -18.294   8.684   1.917
  124   HD21  LEU  14          HD21      LEU  14 -17.886   7.936  -0.153
  125   HD22  LEU  14          HD22      LEU  14 -19.619   8.116  -0.428
  126   HD23  LEU  14          HD23      LEU  14 -18.802   6.623  -0.892
  127    HN1  NH2  15           HN1      NH2  15 -18.973   3.005  -0.461
  128    HN2  NH2  15           HN2      NH2  15 -20.387   3.110  -1.456
  Start of MODEL   14
    1    H1   ACE   1           H1       ACE   1   4.073   4.980  -0.961
    2    H2   ACE   1           H2       ACE   1   3.832   6.605  -1.648
    3    H3   ACE   1           H3       ACE   1   5.243   6.276  -0.612
    4    H    LEU   2           H        LEU   2   1.735   6.431  -0.685
    5    HA   LEU   2           HA       LEU   2   1.781   7.196   2.158
    6    HB2  LEU   2           HB2      LEU   2  -0.567   8.157   1.409
    7    HB3  LEU   2           HB3      LEU   2   0.929   9.069   1.212
    8    HG   LEU   2           HG       LEU   2   1.018   8.360  -1.149
    9   HD11  LEU   2          HD11      LEU   2  -1.269   6.730  -0.283
   10   HD12  LEU   2          HD12      LEU   2  -0.094   6.453  -1.568
   11   HD13  LEU   2          HD13      LEU   2  -1.458   7.537  -1.840
   12   HD21  LEU   2          HD21      LEU   2  -0.615   9.877  -1.932
   13   HD22  LEU   2          HD22      LEU   2  -0.123  10.468  -0.345
   14   HD23  LEU   2          HD23      LEU   2  -1.649   9.604  -0.530
   15    HA   PRO   3           HA       PRO   3  -0.849   3.861   3.252
   16    HB2  PRO   3           HB2      PRO   3  -2.521   5.000   5.062
   17    HB3  PRO   3           HB3      PRO   3  -0.820   4.664   5.403
   18    HG2  PRO   3           HG2      PRO   3  -2.117   7.239   4.599
   19    HG3  PRO   3           HG3      PRO   3  -0.875   6.949   5.831
   20    HD2  PRO   3           HD2      PRO   3  -0.290   7.918   3.371
   21    HD3  PRO   3           HD3      PRO   3   0.828   6.877   4.279
   22    H    GLY   4           H        GLY   4  -1.781   3.871   1.026
   23    HA2  GLY   4           HA2      GLY   4  -4.509   4.978   0.936
   24    HA3  GLY   4           HA3      GLY   4  -3.558   4.504  -0.465
   25    H    HIS   5           H        HIS   5  -5.732   3.465   2.004
   26    HA   HIS   5           HA       HIS   5  -6.644   1.248   0.572
   27    HB2  HIS   5           HB2      HIS   5  -5.787  -0.553   2.164
   28    HB3  HIS   5           HB3      HIS   5  -4.628   0.086   1.003
   29    HD1  HIS   5           HD1      HIS   5  -2.468   0.860   1.947
   30    HD2  HIS   5           HD2      HIS   5  -5.453   0.678   4.831
   31    HE1  HIS   5           HE1      HIS   5  -1.328   1.377   4.128
   32    H    MK8   6           H2       MK8   6  -6.110   2.653   3.826
   33    HB   MK8   6           HB       MK8   6  -6.556   3.205   6.246
   34    HBA  MK8   6           HBA      MK8   6  -7.221   4.504   5.297
   35    HD   MK8   6           HD       MK8   6  -9.430   5.507   8.034
   36    HDA  MK8   6           HDA      MK8   6  -8.015   5.992   7.134
   37    HE   MK8   6           HE       MK8   6  -9.294   6.440   5.208
   38    HG   MK8   6           HG       MK8   6  -9.395   3.291   6.907
   39    HGA  MK8   6           HGA      MK8   6  -8.005   3.592   7.918
   40    HB1  MK8   6           HB1      MK8   6  -7.439   0.864   6.101
   41   HB1A  MK8   6          HB1A      MK8   6  -9.144   1.296   6.250
   42   HB1B  MK8   6          HB1B      MK8   6  -8.596   0.419   4.859
   43    H    LYS   7           H        LYS   7  -8.004   4.367   3.229
   44    HA   LYS   7           HA       LYS   7 -10.743   5.134   3.143
   45    HB2  LYS   7           HB2      LYS   7  -8.871   6.717   2.794
   46    HB3  LYS   7           HB3      LYS   7  -8.489   5.905   1.281
   47    HG2  LYS   7           HG2      LYS   7 -11.270   6.768   1.474
   48    HG3  LYS   7           HG3      LYS   7 -10.102   8.089   1.549
   49    HD2  LYS   7           HD2      LYS   7  -9.894   5.960  -0.552
   50    HD3  LYS   7           HD3      LYS   7 -10.976   7.338  -0.761
   51    HE2  LYS   7           HE2      LYS   7  -8.012   7.510  -0.221
   52    HE3  LYS   7           HE3      LYS   7  -8.771   7.696  -1.802
   53    HZ1  LYS   7           HZ1      LYS   7  -8.542   9.860  -1.106
   54    HZ2  LYS   7           HZ2      LYS   7  -8.851   9.504   0.517
   55    HZ3  LYS   7           HZ3      LYS   7 -10.121   9.527  -0.600
   56    H    ARG   8           H        ARG   8  -8.763   2.981   1.277
   57    HA   ARG   8           HA       ARG   8 -10.451   2.860  -1.019
   58    HB2  ARG   8           HB2      ARG   8  -7.944   2.122  -0.670
   59    HB3  ARG   8           HB3      ARG   8  -8.679   0.585  -0.237
   60    HG2  ARG   8           HG2      ARG   8  -9.071   0.075  -2.360
   61    HG3  ARG   8           HG3      ARG   8  -9.793   1.652  -2.683
   62    HD2  ARG   8           HD2      ARG   8  -6.865   1.627  -2.356
   63    HD3  ARG   8           HD3      ARG   8  -7.480   0.791  -3.782
   64    HE   ARG   8           HE       ARG   8  -7.451   3.621  -3.312
   65   HH11  ARG   8          HH11      ARG   8  -9.643   2.051  -6.272
   66   HH12  ARG   8          HH12      ARG   8  -9.044   1.030  -5.006
   67   HH21  ARG   8          HH21      ARG   8  -9.182   4.295  -6.251
   68   HH22  ARG   8          HH22      ARG   8  -8.234   4.975  -4.972
   69    H    ILE   9           H        ILE   9 -10.241   1.078   2.002
   70    HA   ILE   9           HA       ILE   9 -12.304  -0.796   1.163
   71    HB   ILE   9           HB       ILE   9 -10.870  -0.545   3.811
   72   HG12  ILE   9          HG12      ILE   9 -10.392  -2.907   2.143
   73   HG13  ILE   9          HG13      ILE   9  -9.847  -1.405   1.403
   74   HG21  ILE   9          HG21      ILE   9 -11.759  -2.842   4.193
   75   HG22  ILE   9          HG22      ILE   9 -12.995  -1.586   4.154
   76   HG23  ILE   9          HG23      ILE   9 -12.764  -2.637   2.758
   77   HD11  ILE   9          HD11      ILE   9  -8.047  -1.393   2.682
   78   HD12  ILE   9          HD12      ILE   9  -9.036  -1.469   4.142
   79   HD13  ILE   9          HD13      ILE   9  -8.538  -2.956   3.335
   80    H    MK8  10           H2       MK8  10 -11.917   1.870   3.578
   81    HB   MK8  10           HB       MK8  10 -12.657   4.166   4.031
   82    HBA  MK8  10           HBA      MK8  10 -14.135   4.396   4.937
   83    HD   MK8  10           HD       MK8  10 -12.863   5.432   6.986
   84    HDA  MK8  10           HDA      MK8  10 -11.507   4.553   7.652
   85    HE   MK8  10           HE       MK8  10 -11.608   6.046   4.950
   86    HG   MK8  10           HG       MK8  10 -13.259   3.065   6.842
   87    HGA  MK8  10           HGA      MK8  10 -11.767   2.758   5.999
   88    HB1  MK8  10           HB1      MK8  10 -15.387   2.223   5.721
   89   HB1A  MK8  10          HB1A      MK8  10 -15.297   0.792   4.701
   90   HB1B  MK8  10          HB1B      MK8  10 -14.019   1.104   5.864
   91    H    TYR  11           H        TYR  11 -13.328   3.212   1.810
   92    HA   TYR  11           HA       TYR  11 -15.568   4.457   0.808
   93    HB2  TYR  11           HB2      TYR  11 -13.476   4.687  -0.333
   94    HB3  TYR  11           HB3      TYR  11 -13.383   2.957  -0.638
   95    HD1  TYR  11           HD1      TYR  11 -15.132   6.073  -1.568
   96    HD2  TYR  11           HD2      TYR  11 -14.476   1.977  -2.515
   97    HE1  TYR  11           HE1      TYR  11 -16.231   6.406  -3.743
   98    HE2  TYR  11           HE2      TYR  11 -15.572   2.300  -4.693
   99    HH   TYR  11           HH       TYR  11 -17.044   3.753  -5.816
  100    H    SER  12           H        SER  12 -14.779   1.037   0.827
  101    HA   SER  12           HA       SER  12 -16.689   0.105  -0.981
  102    HB2  SER  12           HB2      SER  12 -14.767  -1.142   0.298
  103    HB3  SER  12           HB3      SER  12 -16.029  -1.468   1.486
  104    HG   SER  12           HG       SER  12 -16.186  -3.134   0.104
  105    H    LEU  13           H        LEU  13 -16.931   0.404   2.562
  106    HA   LEU  13           HA       LEU  13 -19.628  -0.395   2.729
  107    HB2  LEU  13           HB2      LEU  13 -17.587   0.415   4.500
  108    HB3  LEU  13           HB3      LEU  13 -18.977   1.454   4.811
  109    HG   LEU  13           HG       LEU  13 -19.082  -0.391   6.317
  110   HD11  LEU  13          HD11      LEU  13 -21.049  -1.352   4.328
  111   HD12  LEU  13          HD12      LEU  13 -21.138   0.350   4.786
  112   HD13  LEU  13          HD13      LEU  13 -21.266  -0.904   6.020
  113   HD21  LEU  13          HD21      LEU  13 -19.307  -2.459   4.220
  114   HD22  LEU  13          HD22      LEU  13 -18.603  -2.548   5.835
  115   HD23  LEU  13          HD23      LEU  13 -17.694  -1.810   4.517
  116    H    LEU  14           H        LEU  14 -18.148   2.841   2.714
  117    HA   LEU  14           HA       LEU  14 -20.573   4.274   2.835
  118    HB2  LEU  14           HB2      LEU  14 -17.833   4.867   2.749
  119    HB3  LEU  14           HB3      LEU  14 -18.550   5.700   1.373
  120    HG   LEU  14           HG       LEU  14 -19.676   5.990   4.140
  121   HD11  LEU  14          HD11      LEU  14 -17.912   8.119   3.148
  122   HD12  LEU  14          HD12      LEU  14 -17.097   6.633   3.632
  123   HD13  LEU  14          HD13      LEU  14 -18.129   7.486   4.780
  124   HD21  LEU  14          HD21      LEU  14 -20.278   7.013   1.525
  125   HD22  LEU  14          HD22      LEU  14 -19.869   8.336   2.619
  126   HD23  LEU  14          HD23      LEU  14 -21.165   7.213   3.036
  127    HN1  NH2  15           HN1      NH2  15 -22.125   4.523   1.369
  128    HN2  NH2  15           HN2      NH2  15 -21.946   4.347  -0.344
  Start of MODEL   15
    1    H1   ACE   1           H1       ACE   1 -10.465  10.367  -1.370
    2    H2   ACE   1           H2       ACE   1 -10.147  10.308   0.381
    3    H3   ACE   1           H3       ACE   1 -10.178  11.874  -0.466
    4    H    LEU   2           H        LEU   2  -8.090  10.776   1.147
    5    HA   LEU   2           HA       LEU   2  -5.891  11.272  -0.607
    6    HB2  LEU   2           HB2      LEU   2  -6.296  10.833   2.275
    7    HB3  LEU   2           HB3      LEU   2  -4.722  10.350   1.649
    8    HG   LEU   2           HG       LEU   2  -4.917  12.829   0.596
    9   HD11  LEU   2          HD11      LEU   2  -5.982  13.332   3.319
   10   HD12  LEU   2          HD12      LEU   2  -7.127  12.911   2.046
   11   HD13  LEU   2          HD13      LEU   2  -6.081  14.319   1.861
   12   HD21  LEU   2          HD21      LEU   2  -3.816  13.337   3.060
   13   HD22  LEU   2          HD22      LEU   2  -2.963  12.669   1.669
   14   HD23  LEU   2          HD23      LEU   2  -3.625  11.591   2.898
   15    HA   PRO   3           HA       PRO   3  -4.678   7.233  -1.815
   16    HB2  PRO   3           HB2      PRO   3  -1.972   7.353  -1.634
   17    HB3  PRO   3           HB3      PRO   3  -2.889   8.193  -2.891
   18    HG2  PRO   3           HG2      PRO   3  -1.759   9.265  -0.335
   19    HG3  PRO   3           HG3      PRO   3  -1.748   9.989  -1.953
   20    HD2  PRO   3           HD2      PRO   3  -3.508  10.735  -0.036
   21    HD3  PRO   3           HD3      PRO   3  -3.914  10.753  -1.764
   22    H    GLY   4           H        GLY   4  -5.267   5.636  -0.443
   23    HA2  GLY   4           HA2      GLY   4  -3.321   4.616   1.401
   24    HA3  GLY   4           HA3      GLY   4  -4.708   5.319   2.218
   25    H    HIS   5           H        HIS   5  -4.822   3.029   3.005
   26    HA   HIS   5           HA       HIS   5  -6.295   1.353   1.080
   27    HB2  HIS   5           HB2      HIS   5  -5.544  -0.599   2.310
   28    HB3  HIS   5           HB3      HIS   5  -4.149   0.370   1.844
   29    HD1  HIS   5           HD1      HIS   5  -2.805   1.495   3.731
   30    HD2  HIS   5           HD2      HIS   5  -6.044  -0.735   5.068
   31    HE1  HIS   5           HE1      HIS   5  -2.484   1.269   6.214
   32    H    MK8   6           H2       MK8   6  -6.210   2.663   4.380
   33    HB   MK8   6           HB       MK8   6  -7.068   2.805   6.978
   34    HBA  MK8   6           HBA      MK8   6  -6.926   4.076   5.798
   35    HD   MK8   6           HD       MK8   6 -10.322   2.873   7.037
   36    HDA  MK8   6           HDA      MK8   6  -9.312   2.793   8.466
   37    HE   MK8   6           HE       MK8   6 -10.576   4.507   9.528
   38    HG   MK8   6           HG       MK8   6  -8.126   4.864   7.748
   39    HGA  MK8   6           HGA      MK8   6  -9.124   4.980   6.320
   40    HB1  MK8   6           HB1      MK8   6  -7.668   0.581   6.217
   41   HB1A  MK8   6          HB1A      MK8   6  -9.297   1.118   6.558
   42   HB1B  MK8   6          HB1B      MK8   6  -8.955   0.345   5.038
   43    H    LYS   7           H        LYS   7  -8.097   4.427   3.742
   44    HA   LYS   7           HA       LYS   7 -10.829   5.085   3.330
   45    HB2  LYS   7           HB2      LYS   7  -8.206   6.153   2.485
   46    HB3  LYS   7           HB3      LYS   7  -9.553   6.515   1.413
   47    HG2  LYS   7           HG2      LYS   7  -9.861   6.994   4.337
   48    HG3  LYS   7           HG3      LYS   7  -8.920   8.131   3.368
   49    HD2  LYS   7           HD2      LYS   7 -10.750   8.966   2.367
   50    HD3  LYS   7           HD3      LYS   7 -11.484   7.374   2.170
   51    HE2  LYS   7           HE2      LYS   7 -12.783   7.675   3.954
   52    HE3  LYS   7           HE3      LYS   7 -11.408   8.148   4.950
   53    HZ1  LYS   7           HZ1      LYS   7 -13.120   9.872   3.263
   54    HZ2  LYS   7           HZ2      LYS   7 -11.611  10.386   3.822
   55    HZ3  LYS   7           HZ3      LYS   7 -12.830   9.989   4.925
   56    H    ARG   8           H        ARG   8  -8.791   2.835   1.854
   57    HA   ARG   8           HA       ARG   8 -10.006   2.928  -0.763
   58    HB2  ARG   8           HB2      ARG   8  -7.644   2.224  -0.401
   59    HB3  ARG   8           HB3      ARG   8  -8.234   0.798   0.443
   60    HG2  ARG   8           HG2      ARG   8  -9.161  -0.108  -1.518
   61    HG3  ARG   8           HG3      ARG   8  -9.016   1.422  -2.386
   62    HD2  ARG   8           HD2      ARG   8  -6.668   1.227  -2.533
   63    HD3  ARG   8           HD3      ARG   8  -6.626  -0.071  -1.339
   64    HE   ARG   8           HE       ARG   8  -8.137  -1.080  -3.367
   65   HH11  ARG   8          HH11      ARG   8  -4.316  -0.611  -4.467
   66   HH12  ARG   8          HH12      ARG   8  -4.955   0.318  -3.150
   67   HH21  ARG   8          HH21      ARG   8  -5.654  -2.102  -5.575
   68   HH22  ARG   8          HH22      ARG   8  -7.306  -2.308  -5.100
   69    H    ILE   9           H        ILE   9 -10.307   1.012   2.170
   70    HA   ILE   9           HA       ILE   9 -12.340  -0.676   0.920
   71    HB   ILE   9           HB       ILE   9 -11.282  -0.874   3.737
   72   HG12  ILE   9          HG12      ILE   9  -9.412  -1.099   2.196
   73   HG13  ILE   9          HG13      ILE   9  -9.815  -2.673   2.874
   74   HG21  ILE   9          HG21      ILE   9 -13.009  -2.291   3.878
   75   HG22  ILE   9          HG22      ILE   9 -13.217  -2.359   2.129
   76   HG23  ILE   9          HG23      ILE   9 -12.009  -3.376   2.914
   77   HD11  ILE   9          HD11      ILE   9  -9.425  -3.079   0.615
   78   HD12  ILE   9          HD12      ILE   9 -11.184  -3.033   0.751
   79   HD13  ILE   9          HD13      ILE   9 -10.312  -1.641   0.109
   80    H    MK8  10           H2       MK8  10 -12.007   1.778   3.543
   81    HB   MK8  10           HB       MK8  10 -12.692   4.036   3.966
   82    HBA  MK8  10           HBA      MK8  10 -14.269   4.399   4.619
   83    HD   MK8  10           HD       MK8  10 -11.343   4.974   5.813
   84    HDA  MK8  10           HDA      MK8  10 -12.873   5.710   6.228
   85    HE   MK8  10           HE       MK8  10 -12.491   5.524   8.539
   86    HG   MK8  10           HG       MK8  10 -13.796   3.408   6.754
   87    HGA  MK8  10           HGA      MK8  10 -12.298   2.692   6.175
   88    HB1  MK8  10           HB1      MK8  10 -15.308   0.644   4.586
   89   HB1A  MK8  10          HB1A      MK8  10 -14.148   1.113   5.811
   90   HB1B  MK8  10          HB1B      MK8  10 -15.584   2.111   5.528
   91    H    TYR  11           H        TYR  11 -13.355   3.159   1.752
   92    HA   TYR  11           HA       TYR  11 -15.540   4.491   0.733
   93    HB2  TYR  11           HB2      TYR  11 -13.227   4.466  -0.236
   94    HB3  TYR  11           HB3      TYR  11 -13.582   2.882  -0.917
   95    HD1  TYR  11           HD1      TYR  11 -14.112   2.890  -3.153
   96    HD2  TYR  11           HD2      TYR  11 -15.251   6.232  -0.781
   97    HE1  TYR  11           HE1      TYR  11 -15.089   3.960  -5.141
   98    HE2  TYR  11           HE2      TYR  11 -16.233   7.311  -2.760
   99    HH   TYR  11           HH       TYR  11 -16.414   5.641  -5.862
  100    H    SER  12           H        SER  12 -14.917   1.061   0.836
  101    HA   SER  12           HA       SER  12 -16.853   0.259  -1.068
  102    HB2  SER  12           HB2      SER  12 -14.913  -1.106  -0.023
  103    HB3  SER  12           HB3      SER  12 -16.049  -1.434   1.286
  104    HG   SER  12           HG       SER  12 -16.522  -3.033  -0.048
  105    H    LEU  13           H        LEU  13 -16.951   0.465   2.481
  106    HA   LEU  13           HA       LEU  13 -19.570  -0.432   2.835
  107    HB2  LEU  13           HB2      LEU  13 -17.517   0.725   4.425
  108    HB3  LEU  13           HB3      LEU  13 -19.021   1.581   4.761
  109    HG   LEU  13           HG       LEU  13 -19.000  -1.403   4.822
  110   HD11  LEU  13          HD11      LEU  13 -18.555  -0.971   7.377
  111   HD12  LEU  13          HD12      LEU  13 -17.667   0.421   6.760
  112   HD13  LEU  13          HD13      LEU  13 -17.223  -1.207   6.246
  113   HD21  LEU  13          HD21      LEU  13 -20.490  -0.483   6.903
  114   HD22  LEU  13          HD22      LEU  13 -21.121  -0.843   5.295
  115   HD23  LEU  13          HD23      LEU  13 -20.693   0.814   5.725
  116    H    LEU  14           H        LEU  14 -18.318   2.829   2.263
  117    HA   LEU  14           HA       LEU  14 -20.877   4.088   2.459
  118    HB2  LEU  14           HB2      LEU  14 -18.120   4.884   1.864
  119    HB3  LEU  14           HB3      LEU  14 -19.346   5.825   1.016
  120    HG   LEU  14           HG       LEU  14 -19.614   5.451   3.961
  121   HD11  LEU  14          HD11      LEU  14 -17.866   6.708   4.546
  122   HD12  LEU  14          HD12      LEU  14 -18.116   7.834   3.213
  123   HD13  LEU  14          HD13      LEU  14 -17.222   6.336   2.947
  124   HD21  LEU  14          HD21      LEU  14 -20.033   8.039   2.617
  125   HD22  LEU  14          HD22      LEU  14 -21.017   7.210   3.824
  126   HD23  LEU  14          HD23      LEU  14 -21.114   6.734   2.127
  127    HN1  NH2  15           HN1      NH2  15 -22.213   4.878   0.824
  128    HN2  NH2  15           HN2      NH2  15 -22.123   4.313  -0.810
  Start of MODEL   16
    1    H1   ACE   1           H1       ACE   1  -8.075   8.619   8.149
    2    H2   ACE   1           H2       ACE   1  -8.041  10.398   8.199
    3    H3   ACE   1           H3       ACE   1  -8.802   9.561   6.824
    4    H    LEU   2           H        LEU   2  -5.843   8.583   8.381
    5    HA   LEU   2           HA       LEU   2  -3.947   9.874   6.849
    6    HB2  LEU   2           HB2      LEU   2  -2.413   8.366   7.662
    7    HB3  LEU   2           HB3      LEU   2  -3.707   8.247   8.849
    8    HG   LEU   2           HG       LEU   2  -4.389   6.270   7.101
    9   HD11  LEU   2          HD11      LEU   2  -1.994   6.871   6.120
   10   HD12  LEU   2          HD12      LEU   2  -2.605   5.218   6.174
   11   HD13  LEU   2          HD13      LEU   2  -1.483   5.783   7.411
   12   HD21  LEU   2          HD21      LEU   2  -3.139   6.482   9.734
   13   HD22  LEU   2          HD22      LEU   2  -2.819   4.954   8.914
   14   HD23  LEU   2          HD23      LEU   2  -4.482   5.477   9.191
   15    HA   PRO   3           HA       PRO   3  -4.166   8.270   2.769
   16    HB2  PRO   3           HB2      PRO   3  -1.547   8.279   2.054
   17    HB3  PRO   3           HB3      PRO   3  -2.503   9.757   2.220
   18    HG2  PRO   3           HG2      PRO   3  -0.577   8.516   4.150
   19    HG3  PRO   3           HG3      PRO   3  -0.772  10.221   3.705
   20    HD2  PRO   3           HD2      PRO   3  -1.797   9.186   5.987
   21    HD3  PRO   3           HD3      PRO   3  -2.582  10.511   5.102
   22    H    GLY   4           H        GLY   4  -4.563   6.239   2.170
   23    HA2  GLY   4           HA2      GLY   4  -2.716   4.215   1.874
   24    HA3  GLY   4           HA3      GLY   4  -3.378   4.000   3.487
   25    H    HIS   5           H        HIS   5  -4.345   2.032   2.974
   26    HA   HIS   5           HA       HIS   5  -6.415   2.053   0.902
   27    HB2  HIS   5           HB2      HIS   5  -4.574   0.102   1.786
   28    HB3  HIS   5           HB3      HIS   5  -6.172  -0.477   2.249
   29    HD1  HIS   5           HD1      HIS   5  -4.343   0.747  -0.843
   30    HD2  HIS   5           HD2      HIS   5  -7.564  -1.646   0.228
   31    HE1  HIS   5           HE1      HIS   5  -5.134  -0.312  -2.983
   32    H    MK8   6           H2       MK8   6  -6.210   2.792   4.143
   33    HB   MK8   6           HB       MK8   6  -6.968   2.975   6.782
   34    HBA  MK8   6           HBA      MK8   6  -6.922   4.229   5.575
   35    HD   MK8   6           HD       MK8   6 -10.248   2.945   6.943
   36    HDA  MK8   6           HDA      MK8   6  -9.186   2.889   8.333
   37    HE   MK8   6           HE       MK8   6 -10.450   4.569   9.446
   38    HG   MK8   6           HG       MK8   6  -8.079   5.001   7.565
   39    HGA  MK8   6           HGA      MK8   6  -9.121   5.065   6.166
   40    HB1  MK8   6           HB1      MK8   6  -9.135   1.209   6.494
   41   HB1A  MK8   6          HB1A      MK8   6  -8.891   0.440   4.946
   42   HB1B  MK8   6          HB1B      MK8   6  -7.526   0.687   6.030
   43    H    LYS   7           H        LYS   7  -8.159   4.456   3.467
   44    HA   LYS   7           HA       LYS   7 -10.917   5.077   3.222
   45    HB2  LYS   7           HB2      LYS   7  -8.777   6.559   2.868
   46    HB3  LYS   7           HB3      LYS   7  -8.895   5.985   1.208
   47    HG2  LYS   7           HG2      LYS   7 -10.006   8.080   1.332
   48    HG3  LYS   7           HG3      LYS   7 -11.243   6.832   1.164
   49    HD2  LYS   7           HD2      LYS   7 -11.815   6.968   3.466
   50    HD3  LYS   7           HD3      LYS   7 -10.398   7.958   3.826
   51    HE2  LYS   7           HE2      LYS   7 -11.446   9.621   2.135
   52    HE3  LYS   7           HE3      LYS   7 -12.930   8.712   2.415
   53    HZ1  LYS   7           HZ1      LYS   7 -12.533  10.731   3.862
   54    HZ2  LYS   7           HZ2      LYS   7 -11.335   9.827   4.641
   55    HZ3  LYS   7           HZ3      LYS   7 -12.940   9.300   4.665
   56    H    ARG   8           H        ARG   8  -8.763   2.995   1.483
   57    HA   ARG   8           HA       ARG   8 -10.267   2.815  -0.923
   58    HB2  ARG   8           HB2      ARG   8  -8.136   1.104   0.333
   59    HB3  ARG   8           HB3      ARG   8  -8.939   0.618  -1.153
   60    HG2  ARG   8           HG2      ARG   8  -7.865   3.360  -1.109
   61    HG3  ARG   8           HG3      ARG   8  -6.678   2.056  -1.080
   62    HD2  ARG   8           HD2      ARG   8  -7.430   1.180  -3.126
   63    HD3  ARG   8           HD3      ARG   8  -8.934   2.096  -3.058
   64    HE   ARG   8           HE       ARG   8  -6.817   3.915  -3.126
   65   HH11  ARG   8          HH11      ARG   8  -7.856   2.305  -6.641
   66   HH12  ARG   8          HH12      ARG   8  -8.294   1.509  -5.165
   67   HH21  ARG   8          HH21      ARG   8  -6.684   4.272  -6.582
   68   HH22  ARG   8          HH22      ARG   8  -6.235   4.970  -5.062
   69    H    ILE   9           H        ILE   9 -10.264   1.024   2.109
   70    HA   ILE   9           HA       ILE   9 -12.287  -0.823   1.129
   71    HB   ILE   9           HB       ILE   9 -11.023  -0.623   3.864
   72   HG12  ILE   9          HG12      ILE   9 -10.472  -2.589   1.631
   73   HG13  ILE   9          HG13      ILE   9  -9.454  -1.204   2.007
   74   HG21  ILE   9          HG21      ILE   9 -11.979  -3.200   3.449
   75   HG22  ILE   9          HG22      ILE   9 -12.673  -1.969   4.505
   76   HG23  ILE   9          HG23      ILE   9 -13.258  -2.144   2.850
   77   HD11  ILE   9          HD11      ILE   9  -9.954  -2.842   4.338
   78   HD12  ILE   9          HD12      ILE   9  -9.209  -3.752   3.024
   79   HD13  ILE   9          HD13      ILE   9  -8.429  -2.297   3.640
   80    H    MK8  10           H2       MK8  10 -12.010   1.786   3.632
   81    HB   MK8  10           HB       MK8  10 -12.752   4.066   3.963
   82    HBA  MK8  10           HBA      MK8  10 -14.322   4.397   4.649
   83    HD   MK8  10           HD       MK8  10 -11.356   5.008   5.768
   84    HDA  MK8  10           HDA      MK8  10 -12.877   5.734   6.230
   85    HE   MK8  10           HE       MK8  10 -12.431   5.531   8.534
   86    HG   MK8  10           HG       MK8  10 -13.772   3.425   6.778
   87    HGA  MK8  10           HGA      MK8  10 -12.282   2.723   6.163
   88    HB1  MK8  10           HB1      MK8  10 -15.621   2.136   5.538
   89   HB1A  MK8  10          HB1A      MK8  10 -15.329   0.654   4.625
   90   HB1B  MK8  10          HB1B      MK8  10 -14.186   1.147   5.860
   91    H    TYR  11           H        TYR  11 -13.351   3.085   1.756
   92    HA   TYR  11           HA       TYR  11 -15.535   4.340   0.646
   93    HB2  TYR  11           HB2      TYR  11 -13.409   4.521  -0.430
   94    HB3  TYR  11           HB3      TYR  11 -13.315   2.781  -0.678
   95    HD1  TYR  11           HD1      TYR  11 -15.267   5.791  -1.662
   96    HD2  TYR  11           HD2      TYR  11 -14.083   1.831  -2.671
   97    HE1  TYR  11           HE1      TYR  11 -16.281   6.062  -3.886
   98    HE2  TYR  11           HE2      TYR  11 -15.094   2.090  -4.898
   99    HH   TYR  11           HH       TYR  11 -16.856   3.471  -5.970
  100    H    SER  12           H        SER  12 -14.794   0.908   0.758
  101    HA   SER  12           HA       SER  12 -16.708   0.004  -1.084
  102    HB2  SER  12           HB2      SER  12 -14.827  -1.351  -0.078
  103    HB3  SER  12           HB3      SER  12 -15.801  -1.488   1.386
  104    HG   SER  12           HG       SER  12 -17.467  -2.249  -0.304
  105    H    LEU  13           H        LEU  13 -16.921   0.647   2.384
  106    HA   LEU  13           HA       LEU  13 -19.577  -0.325   2.682
  107    HB2  LEU  13           HB2      LEU  13 -17.543   0.666   4.353
  108    HB3  LEU  13           HB3      LEU  13 -18.943   1.708   4.601
  109    HG   LEU  13           HG       LEU  13 -18.919  -0.059   6.247
  110   HD11  LEU  13          HD11      LEU  13 -21.129   0.045   6.119
  111   HD12  LEU  13          HD12      LEU  13 -21.099  -1.270   4.945
  112   HD13  LEU  13          HD13      LEU  13 -21.048   0.405   4.394
  113   HD21  LEU  13          HD21      LEU  13 -19.391  -2.208   4.276
  114   HD22  LEU  13          HD22      LEU  13 -18.558  -2.251   5.831
  115   HD23  LEU  13          HD23      LEU  13 -17.736  -1.612   4.406
  116    H    LEU  14           H        LEU  14 -18.335   3.021   2.784
  117    HA   LEU  14           HA       LEU  14 -20.793   4.307   2.695
  118    HB2  LEU  14           HB2      LEU  14 -18.249   5.130   2.903
  119    HB3  LEU  14           HB3      LEU  14 -18.558   5.568   1.224
  120    HG   LEU  14           HG       LEU  14 -18.930   7.473   2.663
  121   HD11  LEU  14          HD11      LEU  14 -21.662   6.519   1.884
  122   HD12  LEU  14          HD12      LEU  14 -20.449   6.925   0.670
  123   HD13  LEU  14          HD13      LEU  14 -20.993   8.149   1.817
  124   HD21  LEU  14          HD21      LEU  14 -19.561   5.908   4.639
  125   HD22  LEU  14          HD22      LEU  14 -21.203   6.077   4.015
  126   HD23  LEU  14          HD23      LEU  14 -20.300   7.505   4.523
  127    HN1  NH2  15           HN1      NH2  15 -22.349   4.327   1.216
  128    HN2  NH2  15           HN2      NH2  15 -22.138   4.129  -0.491
  Start of MODEL   17
    1    H1   ACE   1           H1       ACE   1   4.493   2.645   3.614
    2    H2   ACE   1           H2       ACE   1   5.202   4.255   3.348
    3    H3   ACE   1           H3       ACE   1   3.962   4.026   4.603
    4    H    LEU   2           H        LEU   2   3.498   5.975   2.939
    5    HA   LEU   2           HA       LEU   2   1.816   6.829   1.658
    6    HB2  LEU   2           HB2      LEU   2   3.516   5.743   0.029
    7    HB3  LEU   2           HB3      LEU   2   2.254   4.538  -0.218
    8    HG   LEU   2           HG       LEU   2   2.274   6.270  -1.966
    9   HD11  LEU   2          HD11      LEU   2  -0.084   6.684  -1.982
   10   HD12  LEU   2          HD12      LEU   2  -0.189   6.442  -0.239
   11   HD13  LEU   2          HD13      LEU   2   0.194   5.084  -1.296
   12   HD21  LEU   2          HD21      LEU   2   2.107   8.499  -1.578
   13   HD22  LEU   2          HD22      LEU   2   2.913   8.036  -0.078
   14   HD23  LEU   2          HD23      LEU   2   1.167   8.287  -0.101
   15    HA   PRO   3           HA       PRO   3  -1.284   3.738   3.183
   16    HB2  PRO   3           HB2      PRO   3  -2.733   5.551   4.593
   17    HB3  PRO   3           HB3      PRO   3  -1.326   4.717   5.262
   18    HG2  PRO   3           HG2      PRO   3  -1.523   7.470   4.106
   19    HG3  PRO   3           HG3      PRO   3  -0.667   6.926   5.561
   20    HD2  PRO   3           HD2      PRO   3   0.598   7.379   3.211
   21    HD3  PRO   3           HD3      PRO   3   1.133   6.135   4.358
   22    H    GLY   4           H        GLY   4  -2.976   3.261   1.930
   23    HA2  GLY   4           HA2      GLY   4  -4.817   5.270   1.015
   24    HA3  GLY   4           HA3      GLY   4  -3.807   4.642  -0.278
   25    H    HIS   5           H        HIS   5  -4.772   2.644   2.411
   26    HA   HIS   5           HA       HIS   5  -6.589   1.184   0.605
   27    HB2  HIS   5           HB2      HIS   5  -5.979  -0.826   2.073
   28    HB3  HIS   5           HB3      HIS   5  -4.750  -0.250   0.950
   29    HD1  HIS   5           HD1      HIS   5  -2.515   0.211   1.929
   30    HD2  HIS   5           HD2      HIS   5  -5.502   0.148   4.816
   31    HE1  HIS   5           HE1      HIS   5  -1.325   0.427   4.133
   32    H    MK8   6           H2       MK8   6  -6.050   2.397   3.931
   33    HB   MK8   6           HB       MK8   6  -6.543   2.756   6.386
   34    HBA  MK8   6           HBA      MK8   6  -7.042   4.148   5.457
   35    HD   MK8   6           HD       MK8   6  -7.832   5.551   7.666
   36    HDA  MK8   6           HDA      MK8   6  -8.830   5.555   6.226
   37    HE   MK8   6           HE       MK8   6  -9.726   5.411   9.128
   38    HG   MK8   6           HG       MK8   6  -9.411   3.107   6.824
   39    HGA  MK8   6           HGA      MK8   6  -8.106   3.155   7.984
   40    HB1  MK8   6           HB1      MK8   6  -7.552   0.489   6.026
   41   HB1A  MK8   6          HB1A      MK8   6  -9.208   1.059   6.228
   42   HB1B  MK8   6          HB1B      MK8   6  -8.759   0.198   4.778
   43    H    LYS   7           H        LYS   7  -7.838   4.186   3.265
   44    HA   LYS   7           HA       LYS   7 -10.531   5.102   3.170
   45    HB2  LYS   7           HB2      LYS   7  -7.951   5.917   2.102
   46    HB3  LYS   7           HB3      LYS   7  -9.245   6.148   0.934
   47    HG2  LYS   7           HG2      LYS   7  -9.705   7.093   3.707
   48    HG3  LYS   7           HG3      LYS   7  -8.587   8.008   2.692
   49    HD2  LYS   7           HD2      LYS   7 -10.605   7.707   0.956
   50    HD3  LYS   7           HD3      LYS   7 -11.519   7.659   2.465
   51    HE2  LYS   7           HE2      LYS   7 -10.128   9.773   3.062
   52    HE3  LYS   7           HE3      LYS   7  -9.854   9.867   1.324
   53    HZ1  LYS   7           HZ1      LYS   7 -12.115  10.157   0.909
   54    HZ2  LYS   7           HZ2      LYS   7 -11.828  11.127   2.264
   55    HZ3  LYS   7           HZ3      LYS   7 -12.576   9.620   2.446
   56    H    ARG   8           H        ARG   8  -8.645   2.866   1.285
   57    HA   ARG   8           HA       ARG   8 -10.336   2.814  -1.003
   58    HB2  ARG   8           HB2      ARG   8  -7.903   1.981  -0.762
   59    HB3  ARG   8           HB3      ARG   8  -8.618   0.513  -0.111
   60    HG2  ARG   8           HG2      ARG   8  -9.650  -0.027  -2.133
   61    HG3  ARG   8           HG3      ARG   8  -9.468   1.612  -2.764
   62    HD2  ARG   8           HD2      ARG   8  -7.480   1.122  -3.633
   63    HD3  ARG   8           HD3      ARG   8  -6.902   0.497  -2.089
   64    HE   ARG   8           HE       ARG   8  -7.875  -1.029  -4.323
   65   HH11  ARG   8          HH11      ARG   8  -7.314  -2.722  -0.739
   66   HH12  ARG   8          HH12      ARG   8  -7.373  -0.996  -0.878
   67   HH21  ARG   8          HH21      ARG   8  -7.554  -4.032  -2.603
   68   HH22  ARG   8          HH22      ARG   8  -7.798  -3.301  -4.154
   69    H    ILE   9           H        ILE   9 -10.240   1.025   2.022
   70    HA   ILE   9           HA       ILE   9 -12.401  -0.729   1.184
   71    HB   ILE   9           HB       ILE   9 -10.993  -0.527   3.850
   72   HG12  ILE   9          HG12      ILE   9 -10.688  -2.679   1.757
   73   HG13  ILE   9          HG13      ILE   9  -9.641  -1.265   1.814
   74   HG21  ILE   9          HG21      ILE   9 -13.273  -2.121   2.885
   75   HG22  ILE   9          HG22      ILE   9 -12.041  -3.009   3.780
   76   HG23  ILE   9          HG23      ILE   9 -12.844  -1.625   4.522
   77   HD11  ILE   9          HD11      ILE   9  -9.453  -3.691   3.279
   78   HD12  ILE   9          HD12      ILE   9  -8.355  -2.311   3.269
   79   HD13  ILE   9          HD13      ILE   9  -9.700  -2.361   4.410
   80    H    MK8  10           H2       MK8  10 -11.871   1.904   3.590
   81    HB   MK8  10           HB       MK8  10 -12.429   4.246   3.836
   82    HBA  MK8  10           HBA      MK8  10 -13.917   4.714   4.611
   83    HD   MK8  10           HD       MK8  10 -10.865   5.237   5.507
   84    HDA  MK8  10           HDA      MK8  10 -12.332   6.051   6.004
   85    HE   MK8  10           HE       MK8  10 -11.977   5.479   8.389
   86    HG   MK8  10           HG       MK8  10 -13.268   3.815   6.749
   87    HGA  MK8  10           HGA      MK8  10 -11.840   3.030   6.090
   88    HB1  MK8  10           HB1      MK8  10 -15.099   1.022   4.878
   89   HB1A  MK8  10          HB1A      MK8  10 -13.872   1.560   6.000
   90   HB1B  MK8  10          HB1B      MK8  10 -15.298   2.571   5.705
   91    H    TYR  11           H        TYR  11 -13.221   3.332   1.811
   92    HA   TYR  11           HA       TYR  11 -15.404   4.657   0.780
   93    HB2  TYR  11           HB2      TYR  11 -13.267   4.783  -0.320
   94    HB3  TYR  11           HB3      TYR  11 -13.282   3.057  -0.659
   95    HD1  TYR  11           HD1      TYR  11 -14.594   2.158  -2.482
   96    HD2  TYR  11           HD2      TYR  11 -14.649   6.324  -1.615
   97    HE1  TYR  11           HE1      TYR  11 -15.654   2.590  -4.659
   98    HE2  TYR  11           HE2      TYR  11 -15.710   6.767  -3.790
   99    HH   TYR  11           HH       TYR  11 -15.875   4.464  -6.259
  100    H    SER  12           H        SER  12 -14.753   1.213   0.852
  101    HA   SER  12           HA       SER  12 -16.804   0.440  -0.948
  102    HB2  SER  12           HB2      SER  12 -14.728  -0.859   0.284
  103    HB3  SER  12           HB3      SER  12 -16.120  -1.499   1.157
  104    HG   SER  12           HG       SER  12 -15.822  -1.462  -1.668
  105    H    LEU  13           H        LEU  13 -16.643   0.621   2.594
  106    HA   LEU  13           HA       LEU  13 -19.142  -0.405   3.209
  107    HB2  LEU  13           HB2      LEU  13 -17.253   1.461   4.514
  108    HB3  LEU  13           HB3      LEU  13 -18.909   1.457   5.121
  109    HG   LEU  13           HG       LEU  13 -17.352   0.001   6.398
  110   HD11  LEU  13          HD11      LEU  13 -19.946  -0.611   5.388
  111   HD12  LEU  13          HD12      LEU  13 -19.231  -1.034   6.945
  112   HD13  LEU  13          HD13      LEU  13 -19.027  -2.107   5.560
  113   HD21  LEU  13          HD21      LEU  13 -16.207  -1.732   5.493
  114   HD22  LEU  13          HD22      LEU  13 -16.276  -0.705   4.060
  115   HD23  LEU  13          HD23      LEU  13 -17.421  -2.034   4.250
  116    H    LEU  14           H        LEU  14 -18.244   2.844   2.183
  117    HA   LEU  14           HA       LEU  14 -20.904   3.889   2.537
  118    HB2  LEU  14           HB2      LEU  14 -18.313   4.943   2.111
  119    HB3  LEU  14           HB3      LEU  14 -19.334   5.505   0.789
  120    HG   LEU  14           HG       LEU  14 -20.940   6.091   2.849
  121   HD11  LEU  14          HD11      LEU  14 -19.789   5.589   4.737
  122   HD12  LEU  14          HD12      LEU  14 -19.153   7.213   4.469
  123   HD13  LEU  14          HD13      LEU  14 -18.215   5.805   3.971
  124   HD21  LEU  14          HD21      LEU  14 -20.320   7.681   1.178
  125   HD22  LEU  14          HD22      LEU  14 -18.656   7.726   1.759
  126   HD23  LEU  14          HD23      LEU  14 -19.954   8.386   2.754
  127    HN1  NH2  15           HN1      NH2  15 -18.826   3.052  -0.247
  128    HN2  NH2  15           HN2      NH2  15 -20.110   2.925  -1.401
  Start of MODEL   18
    1    H1   ACE   1           H1       ACE   1   0.597   5.976  -5.243
    2    H2   ACE   1           H2       ACE   1   0.385   7.707  -4.887
    3    H3   ACE   1           H3       ACE   1   1.948   7.108  -5.495
    4    H    LEU   2           H        LEU   2  -0.211   7.327  -2.795
    5    HA   LEU   2           HA       LEU   2   1.991   6.506  -1.020
    6    HB2  LEU   2           HB2      LEU   2   0.471   7.881   0.654
    7    HB3  LEU   2           HB3      LEU   2   1.679   8.655  -0.371
    8    HG   LEU   2           HG       LEU   2  -0.116   9.243  -1.974
    9   HD11  LEU   2          HD11      LEU   2  -2.470   9.127  -0.983
   10   HD12  LEU   2          HD12      LEU   2  -1.818   7.898   0.099
   11   HD13  LEU   2          HD13      LEU   2  -1.786   7.643  -1.646
   12   HD21  LEU   2          HD21      LEU   2   0.270  10.290   0.696
   13   HD22  LEU   2          HD22      LEU   2  -1.356  10.615   0.096
   14   HD23  LEU   2          HD23      LEU   2   0.049  11.145  -0.831
   15    HA   PRO   3           HA       PRO   3  -0.420   3.283   0.725
   16    HB2  PRO   3           HB2      PRO   3   0.211   3.439   3.361
   17    HB3  PRO   3           HB3      PRO   3   1.342   2.855   2.136
   18    HG2  PRO   3           HG2      PRO   3   1.156   5.560   3.404
   19    HG3  PRO   3           HG3      PRO   3   2.596   4.588   3.050
   20    HD2  PRO   3           HD2      PRO   3   1.805   6.644   1.476
   21    HD3  PRO   3           HD3      PRO   3   2.623   5.208   0.830
   22    H    GLY   4           H        GLY   4  -2.582   3.634   0.609
   23    HA2  GLY   4           HA2      GLY   4  -3.888   4.708   2.965
   24    HA3  GLY   4           HA3      GLY   4  -4.156   5.628   1.491
   25    H    HIS   5           H        HIS   5  -4.408   2.346   2.823
   26    HA   HIS   5           HA       HIS   5  -6.458   1.702   0.842
   27    HB2  HIS   5           HB2      HIS   5  -4.431   0.194   1.850
   28    HB3  HIS   5           HB3      HIS   5  -5.761  -0.308   2.889
   29    HD1  HIS   5           HD1      HIS   5  -5.287   0.185  -0.864
   30    HD2  HIS   5           HD2      HIS   5  -7.044  -2.431   1.842
   31    HE1  HIS   5           HE1      HIS   5  -6.301  -1.644  -2.260
   32    H    MK8   6           H2       MK8   6  -6.221   2.730   4.193
   33    HB   MK8   6           HB       MK8   6  -6.973   2.985   6.736
   34    HBA  MK8   6           HBA      MK8   6  -7.223   4.339   5.670
   35    HD   MK8   6           HD       MK8   6  -9.469   2.099   7.829
   36    HDA  MK8   6           HDA      MK8   6  -8.544   3.039   8.941
   37    HE   MK8   6           HE       MK8   6 -10.503   3.940   9.848
   38    HG   MK8   6           HG       MK8   6  -8.428   4.954   7.562
   39    HGA  MK8   6           HGA      MK8   6  -9.683   4.437   6.485
   40    HB1  MK8   6           HB1      MK8   6  -9.608   1.151   5.992
   41   HB1A  MK8   6          HB1A      MK8   6  -8.598   0.345   4.840
   42   HB1B  MK8   6          HB1B      MK8   6  -7.898   0.848   6.362
   43    H    LYS   7           H        LYS   7  -8.306   4.805   3.886
   44    HA   LYS   7           HA       LYS   7 -10.985   5.311   3.461
   45    HB2  LYS   7           HB2      LYS   7  -8.499   6.257   2.068
   46    HB3  LYS   7           HB3      LYS   7 -10.084   6.772   1.507
   47    HG2  LYS   7           HG2      LYS   7 -10.052   8.385   3.017
   48    HG3  LYS   7           HG3      LYS   7 -10.070   7.159   4.289
   49    HD2  LYS   7           HD2      LYS   7  -7.451   7.133   3.562
   50    HD3  LYS   7           HD3      LYS   7  -7.863   8.829   3.296
   51    HE2  LYS   7           HE2      LYS   7  -8.790   8.906   5.598
   52    HE3  LYS   7           HE3      LYS   7  -8.229   7.253   5.843
   53    HZ1  LYS   7           HZ1      LYS   7  -6.429   8.313   6.644
   54    HZ2  LYS   7           HZ2      LYS   7  -6.715   9.732   5.767
   55    HZ3  LYS   7           HZ3      LYS   7  -5.988   8.403   5.013
   56    H    ARG   8           H        ARG   8  -8.862   3.222   1.707
   57    HA   ARG   8           HA       ARG   8 -10.399   3.089  -0.695
   58    HB2  ARG   8           HB2      ARG   8  -7.926   2.454  -0.335
   59    HB3  ARG   8           HB3      ARG   8  -8.547   0.927   0.277
   60    HG2  ARG   8           HG2      ARG   8  -9.173   0.200  -1.770
   61    HG3  ARG   8           HG3      ARG   8  -9.576   1.820  -2.344
   62    HD2  ARG   8           HD2      ARG   8  -6.738   1.491  -1.790
   63    HD3  ARG   8           HD3      ARG   8  -7.330   0.363  -3.011
   64    HE   ARG   8           HE       ARG   8  -7.058   3.219  -3.268
   65   HH11  ARG   8          HH11      ARG   8  -8.998   1.043  -6.013
   66   HH12  ARG   8          HH12      ARG   8  -8.653   0.361  -4.457
   67   HH21  ARG   8          HH21      ARG   8  -8.345   3.185  -6.497
   68   HH22  ARG   8          HH22      ARG   8  -7.508   4.128  -5.310
   69    H    ILE   9           H        ILE   9 -10.327   1.283   2.319
   70    HA   ILE   9           HA       ILE   9 -12.276  -0.644   1.353
   71    HB   ILE   9           HB       ILE   9 -11.057  -0.320   4.099
   72   HG12  ILE   9          HG12      ILE   9  -9.437  -0.936   2.332
   73   HG13  ILE   9          HG13      ILE   9  -9.672  -2.232   3.500
   74   HG21  ILE   9          HG21      ILE   9 -12.887  -2.401   2.937
   75   HG22  ILE   9          HG22      ILE   9 -11.897  -2.695   4.365
   76   HG23  ILE   9          HG23      ILE   9 -13.121  -1.425   4.386
   77   HD11  ILE   9          HD11      ILE   9 -11.520  -2.563   1.356
   78   HD12  ILE   9          HD12      ILE   9  -9.893  -2.353   0.705
   79   HD13  ILE   9          HD13      ILE   9 -10.216  -3.628   1.882
   80    H    MK8  10           H2       MK8  10 -12.146   1.934   3.900
   81    HB   MK8  10           HB       MK8  10 -12.723   4.090   4.337
   82    HBA  MK8  10           HBA      MK8  10 -14.353   4.585   4.664
   83    HD   MK8  10           HD       MK8  10 -12.571   1.911   7.013
   84    HDA  MK8  10           HDA      MK8  10 -11.386   2.977   6.288
   85    HE   MK8  10           HE       MK8  10 -12.683   3.747   8.965
   86    HG   MK8  10           HG       MK8  10 -13.138   4.870   6.633
   87    HGA  MK8  10           HGA      MK8  10 -14.307   3.617   6.936
   88    HB1  MK8  10           HB1      MK8  10 -14.421   1.249   6.016
   89   HB1A  MK8  10          HB1A      MK8  10 -15.834   2.248   5.645
   90   HB1B  MK8  10          HB1B      MK8  10 -15.493   0.789   4.716
   91    H    TYR  11           H        TYR  11 -13.459   3.299   1.976
   92    HA   TYR  11           HA       TYR  11 -15.654   4.472   0.798
   93    HB2  TYR  11           HB2      TYR  11 -13.510   4.799  -0.190
   94    HB3  TYR  11           HB3      TYR  11 -13.287   3.072  -0.444
   95    HD1  TYR  11           HD1      TYR  11 -16.181   5.287  -1.244
   96    HD2  TYR  11           HD2      TYR  11 -13.102   2.757  -2.735
   97    HE1  TYR  11           HE1      TYR  11 -17.105   5.509  -3.513
   98    HE2  TYR  11           HE2      TYR  11 -14.017   2.973  -5.007
   99    HH   TYR  11           HH       TYR  11 -16.882   3.784  -5.766
  100    H    SER  12           H        SER  12 -14.683   1.082   0.751
  101    HA   SER  12           HA       SER  12 -16.490   0.138  -1.155
  102    HB2  SER  12           HB2      SER  12 -15.639  -1.884  -0.623
  103    HB3  SER  12           HB3      SER  12 -14.562  -0.996   0.453
  104    HG   SER  12           HG       SER  12 -15.590  -2.600   1.627
  105    H    LEU  13           H        LEU  13 -16.856   0.498   2.354
  106    HA   LEU  13           HA       LEU  13 -19.408  -0.624   2.587
  107    HB2  LEU  13           HB2      LEU  13 -17.623   0.314   4.340
  108    HB3  LEU  13           HB3      LEU  13 -18.727   1.687   4.309
  109    HG   LEU  13           HG       LEU  13 -19.299   0.270   6.156
  110   HD11  LEU  13          HD11      LEU  13 -21.134   1.314   4.874
  111   HD12  LEU  13          HD12      LEU  13 -21.615  -0.182   5.675
  112   HD13  LEU  13          HD13      LEU  13 -21.295  -0.174   3.942
  113   HD21  LEU  13          HD21      LEU  13 -20.239  -2.085   4.885
  114   HD22  LEU  13          HD22      LEU  13 -18.965  -1.921   6.093
  115   HD23  LEU  13          HD23      LEU  13 -18.570  -1.819   4.377
  116    H    LEU  14           H        LEU  14 -18.560   2.844   2.482
  117    HA   LEU  14           HA       LEU  14 -21.120   3.865   2.313
  118    HB2  LEU  14           HB2      LEU  14 -18.456   4.817   1.932
  119    HB3  LEU  14           HB3      LEU  14 -19.481   5.455   0.649
  120    HG   LEU  14           HG       LEU  14 -20.994   6.391   2.354
  121   HD11  LEU  14          HD11      LEU  14 -19.280   6.320   4.615
  122   HD12  LEU  14          HD12      LEU  14 -19.548   4.664   4.073
  123   HD13  LEU  14          HD13      LEU  14 -20.923   5.698   4.455
  124   HD21  LEU  14          HD21      LEU  14 -18.689   7.426   1.448
  125   HD22  LEU  14          HD22      LEU  14 -18.360   7.440   3.180
  126   HD23  LEU  14          HD23      LEU  14 -19.773   8.283   2.543
  127    HN1  NH2  15           HN1      NH2  15 -18.947   2.891  -0.344
  128    HN2  NH2  15           HN2      NH2  15 -20.174   2.812  -1.565
  Start of MODEL   19
    1    H1   ACE   1           H1       ACE   1   3.187   7.761  -1.853
    2    H2   ACE   1           H2       ACE   1   2.714   9.359  -1.228
    3    H3   ACE   1           H3       ACE   1   4.307   8.678  -0.816
    4    H    LEU   2           H        LEU   2   1.631   9.460   0.575
    5    HA   LEU   2           HA       LEU   2   1.929   7.757   2.789
    6    HB2  LEU   2           HB2      LEU   2   0.089   9.890   1.955
    7    HB3  LEU   2           HB3      LEU   2  -0.591   8.730   3.093
    8    HG   LEU   2           HG       LEU   2   1.718   9.292   4.348
    9   HD11  LEU   2          HD11      LEU   2   1.046  11.691   2.674
   10   HD12  LEU   2          HD12      LEU   2   2.604  10.894   2.887
   11   HD13  LEU   2          HD13      LEU   2   1.904  11.830   4.209
   12   HD21  LEU   2          HD21      LEU   2  -0.017   9.576   5.745
   13   HD22  LEU   2          HD22      LEU   2  -1.045  10.274   4.493
   14   HD23  LEU   2          HD23      LEU   2   0.146  11.281   5.319
   15    HA   PRO   3           HA       PRO   3  -0.518   4.219   1.930
   16    HB2  PRO   3           HB2      PRO   3  -1.760   3.771   4.303
   17    HB3  PRO   3           HB3      PRO   3  -0.034   3.483   4.053
   18    HG2  PRO   3           HG2      PRO   3  -1.397   5.827   5.319
   19    HG3  PRO   3           HG3      PRO   3   0.059   4.964   5.844
   20    HD2  PRO   3           HD2      PRO   3   0.163   7.322   4.518
   21    HD3  PRO   3           HD3      PRO   3   1.411   6.072   4.341
   22    H    GLY   4           H        GLY   4  -2.481   3.688   1.105
   23    HA2  GLY   4           HA2      GLY   4  -4.811   5.315   1.856
   24    HA3  GLY   4           HA3      GLY   4  -4.358   5.216   0.161
   25    H    HIS   5           H        HIS   5  -4.801   2.947   2.881
   26    HA   HIS   5           HA       HIS   5  -6.301   1.207   1.035
   27    HB2  HIS   5           HB2      HIS   5  -5.693  -0.614   2.728
   28    HB3  HIS   5           HB3      HIS   5  -4.389   0.000   1.713
   29    HD1  HIS   5           HD1      HIS   5  -2.321   0.506   2.956
   30    HD2  HIS   5           HD2      HIS   5  -5.687   0.856   5.368
   31    HE1  HIS   5           HE1      HIS   5  -1.451   1.069   5.248
   32    H    MK8   6           H2       MK8   6  -6.308   2.838   4.156
   33    HB   MK8   6           HB       MK8   6  -7.174   3.162   6.756
   34    HBA  MK8   6           HBA      MK8   6  -7.029   4.323   5.468
   35    HD   MK8   6           HD       MK8   6 -10.430   3.205   6.781
   36    HDA  MK8   6           HDA      MK8   6  -9.436   3.270   8.222
   37    HE   MK8   6           HE       MK8   6 -10.728   5.067   9.103
   38    HG   MK8   6           HG       MK8   6  -8.261   5.279   7.318
   39    HGA  MK8   6           HGA      MK8   6  -9.245   5.244   5.877
   40    HB1  MK8   6           HB1      MK8   6  -9.127   0.577   5.038
   41   HB1A  MK8   6          HB1A      MK8   6  -7.751   0.810   6.111
   42   HB1B  MK8   6          HB1B      MK8   6  -9.320   1.449   6.528
   43    H    LYS   7           H        LYS   7  -8.162   4.449   3.367
   44    HA   LYS   7           HA       LYS   7 -10.890   5.051   2.851
   45    HB2  LYS   7           HB2      LYS   7  -8.282   6.122   2.118
   46    HB3  LYS   7           HB3      LYS   7  -9.432   6.208   0.791
   47    HG2  LYS   7           HG2      LYS   7 -10.969   7.472   2.129
   48    HG3  LYS   7           HG3      LYS   7  -9.958   7.263   3.561
   49    HD2  LYS   7           HD2      LYS   7  -9.488   9.434   2.774
   50    HD3  LYS   7           HD3      LYS   7  -8.125   8.442   2.251
   51    HE2  LYS   7           HE2      LYS   7  -9.937   8.234   0.170
   52    HE3  LYS   7           HE3      LYS   7 -10.073   9.918   0.678
   53    HZ1  LYS   7           HZ1      LYS   7  -8.379   9.914  -0.897
   54    HZ2  LYS   7           HZ2      LYS   7  -7.686   8.486  -0.312
   55    HZ3  LYS   7           HZ3      LYS   7  -7.544   9.920   0.575
   56    H    ARG   8           H        ARG   8  -8.822   2.679   1.634
   57    HA   ARG   8           HA       ARG   8  -9.992   2.515  -1.001
   58    HB2  ARG   8           HB2      ARG   8  -7.633   1.861  -0.529
   59    HB3  ARG   8           HB3      ARG   8  -8.235   0.515   0.430
   60    HG2  ARG   8           HG2      ARG   8  -9.390  -0.331  -1.607
   61    HG3  ARG   8           HG3      ARG   8  -8.587   0.943  -2.526
   62    HD2  ARG   8           HD2      ARG   8  -6.732  -0.556  -0.874
   63    HD3  ARG   8           HD3      ARG   8  -7.603  -1.595  -2.004
   64    HE   ARG   8           HE       ARG   8  -6.557   0.764  -3.244
   65   HH11  ARG   8          HH11      ARG   8  -4.490  -2.663  -3.329
   66   HH12  ARG   8          HH12      ARG   8  -5.786  -2.464  -2.197
   67   HH21  ARG   8          HH21      ARG   8  -3.959  -0.965  -4.775
   68   HH22  ARG   8          HH22      ARG   8  -4.853   0.517  -4.740
   69    H    ILE   9           H        ILE   9 -10.335   0.888   2.098
   70    HA   ILE   9           HA       ILE   9 -12.342  -0.923   0.982
   71    HB   ILE   9           HB       ILE   9 -11.177  -0.823   3.767
   72   HG12  ILE   9          HG12      ILE   9 -10.594  -3.174   2.159
   73   HG13  ILE   9          HG13      ILE   9  -9.998  -1.703   1.399
   74   HG21  ILE   9          HG21      ILE   9 -13.348  -1.789   3.879
   75   HG22  ILE   9          HG22      ILE   9 -13.057  -2.761   2.438
   76   HG23  ILE   9          HG23      ILE   9 -12.187  -3.115   3.930
   77   HD11  ILE   9          HD11      ILE   9  -9.100  -3.073   3.835
   78   HD12  ILE   9          HD12      ILE   9  -8.195  -2.109   2.667
   79   HD13  ILE   9          HD13      ILE   9  -9.148  -1.312   3.919
   80    H    MK8  10           H2       MK8  10 -12.058   1.764   3.374
   81    HB   MK8  10           HB       MK8  10 -12.750   4.050   3.580
   82    HBA  MK8  10           HBA      MK8  10 -14.336   4.466   4.170
   83    HD   MK8  10           HD       MK8  10 -11.452   5.170   5.357
   84    HDA  MK8  10           HDA      MK8  10 -12.995   5.916   5.679
   85    HE   MK8  10           HE       MK8  10 -12.647   5.955   8.000
   86    HG   MK8  10           HG       MK8  10 -13.899   3.655   6.394
   87    HGA  MK8  10           HGA      MK8  10 -12.384   2.912   5.901
   88    HB1  MK8  10           HB1      MK8  10 -15.461   0.773   4.420
   89   HB1A  MK8  10          HB1A      MK8  10 -14.266   1.252   5.621
   90   HB1B  MK8  10          HB1B      MK8  10 -15.649   2.301   5.273
   91    H    TYR  11           H        TYR  11 -13.383   2.968   1.428
   92    HA   TYR  11           HA       TYR  11 -15.555   4.188   0.253
   93    HB2  TYR  11           HB2      TYR  11 -13.227   4.079  -0.674
   94    HB3  TYR  11           HB3      TYR  11 -13.567   2.436  -1.204
   95    HD1  TYR  11           HD1      TYR  11 -13.732   2.417  -3.508
   96    HD2  TYR  11           HD2      TYR  11 -15.578   5.585  -1.350
   97    HE1  TYR  11           HE1      TYR  11 -14.680   3.286  -5.604
   98    HE2  TYR  11           HE2      TYR  11 -16.531   6.461  -3.440
   99    HH   TYR  11           HH       TYR  11 -15.535   5.365  -6.515
  100    H    SER  12           H        SER  12 -14.925   0.786   0.693
  101    HA   SER  12           HA       SER  12 -16.774  -0.243  -1.163
  102    HB2  SER  12           HB2      SER  12 -14.970  -1.545   0.030
  103    HB3  SER  12           HB3      SER  12 -15.996  -1.524   1.464
  104    HG   SER  12           HG       SER  12 -16.128  -3.396  -0.078
  105    H    LEU  13           H        LEU  13 -17.106   0.730   2.215
  106    HA   LEU  13           HA       LEU  13 -19.965   0.105   2.135
  107    HB2  LEU  13           HB2      LEU  13 -17.933   0.293   4.209
  108    HB3  LEU  13           HB3      LEU  13 -19.414   1.150   4.630
  109    HG   LEU  13           HG       LEU  13 -19.417  -1.114   5.524
  110   HD11  LEU  13          HD11      LEU  13 -21.611  -1.432   5.122
  111   HD12  LEU  13          HD12      LEU  13 -21.410  -1.385   3.371
  112   HD13  LEU  13          HD13      LEU  13 -21.466   0.118   4.292
  113   HD21  LEU  13          HD21      LEU  13 -19.826  -2.638   3.164
  114   HD22  LEU  13          HD22      LEU  13 -18.564  -2.814   4.384
  115   HD23  LEU  13          HD23      LEU  13 -18.306  -1.759   2.993
  116    H    LEU  14           H        LEU  14 -18.178   2.755   3.697
  117    HA   LEU  14           HA       LEU  14 -18.543   4.998   3.780
  118    HB2  LEU  14           HB2      LEU  14 -18.126   4.777   1.349
  119    HB3  LEU  14           HB3      LEU  14 -19.860   4.581   1.102
  120    HG   LEU  14           HG       LEU  14 -18.826   6.872   0.626
  121   HD11  LEU  14          HD11      LEU  14 -20.839   7.913   1.081
  122   HD12  LEU  14          HD12      LEU  14 -21.075   7.031   2.589
  123   HD13  LEU  14          HD13      LEU  14 -21.295   6.210   1.044
  124   HD21  LEU  14          HD21      LEU  14 -19.126   7.323   3.566
  125   HD22  LEU  14          HD22      LEU  14 -18.266   8.287   2.366
  126   HD23  LEU  14          HD23      LEU  14 -17.594   6.749   2.908
  127    HN1  NH2  15           HN1      NH2  15 -19.928   5.280   5.460
  128    HN2  NH2  15           HN2      NH2  15 -21.654   5.338   5.307
  Start of MODEL   20
    1    H1   ACE   1           H1       ACE   1   3.500   4.784  -3.088
    2    H2   ACE   1           H2       ACE   1   4.382   6.313  -2.850
    3    H3   ACE   1           H3       ACE   1   5.168   4.763  -2.465
    4    H    LEU   2           H        LEU   2   2.453   6.843  -1.632
    5    HA   LEU   2           HA       LEU   2   2.887   6.291   1.183
    6    HB2  LEU   2           HB2      LEU   2   1.459   8.330  -0.405
    7    HB3  LEU   2           HB3      LEU   2   0.772   7.948   1.173
    8    HG   LEU   2           HG       LEU   2   3.076   8.439   2.128
    9   HD11  LEU   2          HD11      LEU   2   4.372  10.066   0.670
   10   HD12  LEU   2          HD12      LEU   2   3.438   9.430  -0.682
   11   HD13  LEU   2          HD13      LEU   2   4.482   8.357   0.251
   12   HD21  LEU   2          HD21      LEU   2   0.902  10.035   1.667
   13   HD22  LEU   2          HD22      LEU   2   2.218  10.982   0.972
   14   HD23  LEU   2          HD23      LEU   2   2.295  10.467   2.658
   15    HA   PRO   3           HA       PRO   3  -0.426   3.489   1.836
   16    HB2  PRO   3           HB2      PRO   3  -1.449   4.330   4.205
   17    HB3  PRO   3           HB3      PRO   3   0.113   3.516   4.070
   18    HG2  PRO   3           HG2      PRO   3  -0.483   6.439   4.313
   19    HG3  PRO   3           HG3      PRO   3   0.772   5.483   5.121
   20    HD2  PRO   3           HD2      PRO   3   1.286   7.039   2.965
   21    HD3  PRO   3           HD3      PRO   3   2.165   5.529   3.285
   22    H    GLY   4           H        GLY   4  -2.683   3.215   1.738
   23    HA2  GLY   4           HA2      GLY   4  -4.606   5.224   1.999
   24    HA3  GLY   4           HA3      GLY   4  -4.095   5.206   0.319
   25    H    HIS   5           H        HIS   5  -4.887   2.773   2.808
   26    HA   HIS   5           HA       HIS   5  -6.633   1.477   0.818
   27    HB2  HIS   5           HB2      HIS   5  -6.117  -0.653   2.149
   28    HB3  HIS   5           HB3      HIS   5  -4.842  -0.025   1.109
   29    HD1  HIS   5           HD1      HIS   5  -2.716   0.849   2.241
   30    HD2  HIS   5           HD2      HIS   5  -5.619  -0.442   4.918
   31    HE1  HIS   5           HE1      HIS   5  -1.568   0.735   4.475
   32    H    MK8   6           H2       MK8   6  -6.179   2.453   4.204
   33    HB   MK8   6           HB       MK8   6  -6.931   2.749   6.839
   34    HBA  MK8   6           HBA      MK8   6  -6.805   4.008   5.638
   35    HD   MK8   6           HD       MK8   6 -10.210   2.922   7.015
   36    HDA  MK8   6           HDA      MK8   6  -9.148   2.807   8.400
   37    HE   MK8   6           HE       MK8   6 -10.305   4.553   9.513
   38    HG   MK8   6           HG       MK8   6  -7.913   4.838   7.638
   39    HGA  MK8   6           HGA      MK8   6  -8.949   4.979   6.241
   40    HB1  MK8   6           HB1      MK8   6  -9.106   1.143   6.615
   41   HB1A  MK8   6          HB1A      MK8   6  -9.108   0.431   5.027
   42   HB1B  MK8   6          HB1B      MK8   6  -7.624   0.466   5.976
   43    H    LYS   7           H        LYS   7  -8.020   4.201   3.415
   44    HA   LYS   7           HA       LYS   7 -10.692   5.157   3.302
   45    HB2  LYS   7           HB2      LYS   7  -9.864   6.558   1.428
   46    HB3  LYS   7           HB3      LYS   7  -8.853   6.661   2.862
   47    HG2  LYS   7           HG2      LYS   7  -7.303   5.026   1.822
   48    HG3  LYS   7           HG3      LYS   7  -8.285   5.091   0.356
   49    HD2  LYS   7           HD2      LYS   7  -7.746   7.758   1.069
   50    HD3  LYS   7           HD3      LYS   7  -6.224   6.880   1.244
   51    HE2  LYS   7           HE2      LYS   7  -6.018   7.238  -0.962
   52    HE3  LYS   7           HE3      LYS   7  -7.147   5.891  -1.114
   53    HZ1  LYS   7           HZ1      LYS   7  -7.799   7.850  -2.421
   54    HZ2  LYS   7           HZ2      LYS   7  -7.941   8.750  -0.996
   55    HZ3  LYS   7           HZ3      LYS   7  -8.965   7.431  -1.268
   56    H    ARG   8           H        ARG   8  -8.730   3.144   1.146
   57    HA   ARG   8           HA       ARG   8 -10.548   2.933  -0.965
   58    HB2  ARG   8           HB2      ARG   8  -8.414   1.050   0.032
   59    HB3  ARG   8           HB3      ARG   8  -9.347   0.741  -1.426
   60    HG2  ARG   8           HG2      ARG   8  -7.832   3.298  -1.060
   61    HG3  ARG   8           HG3      ARG   8  -7.051   1.837  -1.670
   62    HD2  ARG   8           HD2      ARG   8  -9.606   2.690  -2.927
   63    HD3  ARG   8           HD3      ARG   8  -8.154   3.624  -3.287
   64    HE   ARG   8           HE       ARG   8  -7.389   1.046  -3.689
   65   HH11  ARG   8          HH11      ARG   8 -10.083   2.211  -6.412
   66   HH12  ARG   8          HH12      ARG   8  -9.988   3.029  -4.887
   67   HH21  ARG   8          HH21      ARG   8  -8.670   0.466  -6.867
   68   HH22  ARG   8          HH22      ARG   8  -7.504  -0.038  -5.692
   69    H    ILE   9           H        ILE   9 -10.276   1.119   2.040
   70    HA   ILE   9           HA       ILE   9 -12.382  -0.719   1.306
   71    HB   ILE   9           HB       ILE   9 -11.024  -0.315   3.974
   72   HG12  ILE   9          HG12      ILE   9 -10.548  -2.519   1.968
   73   HG13  ILE   9          HG13      ILE   9  -9.582  -1.048   2.006
   74   HG21  ILE   9          HG21      ILE   9 -12.793  -1.509   4.680
   75   HG22  ILE   9          HG22      ILE   9 -13.199  -2.062   3.056
   76   HG23  ILE   9          HG23      ILE   9 -11.924  -2.868   3.968
   77   HD11  ILE   9          HD11      ILE   9  -8.471  -2.858   3.172
   78   HD12  ILE   9          HD12      ILE   9  -8.899  -1.565   4.293
   79   HD13  ILE   9          HD13      ILE   9  -9.861  -3.043   4.242
   80    H    MK8  10           H2       MK8  10 -12.027   2.003   3.691
   81    HB   MK8  10           HB       MK8  10 -12.682   4.277   4.036
   82    HBA  MK8  10           HBA      MK8  10 -14.238   4.664   4.728
   83    HD   MK8  10           HD       MK8  10 -11.188   5.078   5.839
   84    HDA  MK8  10           HDA      MK8  10 -12.643   5.921   6.313
   85    HE   MK8  10           HE       MK8  10 -12.205   5.664   8.611
   86    HG   MK8  10           HG       MK8  10 -13.720   3.692   6.855
   87    HGA  MK8  10           HGA      MK8  10 -12.291   2.875   6.240
   88    HB1  MK8  10           HB1      MK8  10 -15.617   2.456   5.622
   89   HB1A  MK8  10          HB1A      MK8  10 -15.376   0.962   4.717
   90   HB1B  MK8  10          HB1B      MK8  10 -14.215   1.420   5.944
   91    H    TYR  11           H        TYR  11 -13.334   3.386   1.843
   92    HA   TYR  11           HA       TYR  11 -15.540   4.617   0.734
   93    HB2  TYR  11           HB2      TYR  11 -13.287   4.769  -0.224
   94    HB3  TYR  11           HB3      TYR  11 -13.373   3.082  -0.717
   95    HD1  TYR  11           HD1      TYR  11 -14.970   6.396  -1.240
   96    HD2  TYR  11           HD2      TYR  11 -14.294   2.493  -2.790
   97    HE1  TYR  11           HE1      TYR  11 -15.968   7.080  -3.381
   98    HE2  TYR  11           HE2      TYR  11 -15.290   3.166  -4.936
   99    HH   TYR  11           HH       TYR  11 -15.562   5.588  -6.158
  100    H    SER  12           H        SER  12 -14.763   1.212   0.895
  101    HA   SER  12           HA       SER  12 -16.622   0.297  -1.027
  102    HB2  SER  12           HB2      SER  12 -14.641  -0.932   0.210
  103    HB3  SER  12           HB3      SER  12 -15.911  -1.380   1.349
  104    HG   SER  12           HG       SER  12 -16.978  -2.444  -0.255
  105    H    LEU  13           H        LEU  13 -16.817   0.270   2.537
  106    HA   LEU  13           HA       LEU  13 -19.435  -0.606   2.770
  107    HB2  LEU  13           HB2      LEU  13 -17.443   0.326   4.483
  108    HB3  LEU  13           HB3      LEU  13 -18.817   1.394   4.760
  109    HG   LEU  13           HG       LEU  13 -18.768  -0.475   6.341
  110   HD11  LEU  13          HD11      LEU  13 -21.059  -1.117   6.138
  111   HD12  LEU  13          HD12      LEU  13 -21.061  -0.764   4.410
  112   HD13  LEU  13          HD13      LEU  13 -20.908   0.549   5.577
  113   HD21  LEU  13          HD21      LEU  13 -19.416  -2.364   4.116
  114   HD22  LEU  13          HD22      LEU  13 -18.814  -2.705   5.739
  115   HD23  LEU  13          HD23      LEU  13 -17.735  -2.022   4.524
  116    H    LEU  14           H        LEU  14 -18.195   2.630   2.181
  117    HA   LEU  14           HA       LEU  14 -20.717   3.938   2.496
  118    HB2  LEU  14           HB2      LEU  14 -18.256   4.862   2.570
  119    HB3  LEU  14           HB3      LEU  14 -18.522   5.092   0.844
  120    HG   LEU  14           HG       LEU  14 -20.585   6.185   2.665
  121   HD11  LEU  14          HD11      LEU  14 -19.372   7.879   3.565
  122   HD12  LEU  14          HD12      LEU  14 -18.193   7.886   2.254
  123   HD13  LEU  14          HD13      LEU  14 -18.109   6.649   3.509
  124   HD21  LEU  14          HD21      LEU  14 -21.095   6.780   0.540
  125   HD22  LEU  14          HD22      LEU  14 -19.417   6.723   0.000
  126   HD23  LEU  14          HD23      LEU  14 -20.005   8.115   0.911
  127    HN1  NH2  15           HN1      NH2  15 -18.959   2.475  -0.173
  128    HN2  NH2  15           HN2      NH2  15 -20.170   2.730  -1.384