*HEADER    SIGNALING PROTEIN                       11-DEC-17   6F7O              
*TITLE     NMR STRUCTURE OF AN ODIN-SAM1 STAPLED PEPTIDE                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANKYRIN REPEAT AND SAM DOMAIN-CONTAINING PROTEIN 1A;       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ODIN;                                                       
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: FRAGMENT 745-757 OF ANKS1A PROTEIN (UNIPROT ENTRY     
*COMPND   7 Q92625) WITH R749 AND L753 MUTATED IN MK8 (=(S)-2-(4'-PENTENYL)      
*COMPND   8 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    SAM DOMAIN, STAPLED PEPTIDE, SIGNALING PROTEIN                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.LEONE,F.A.MERCURIO                                                  
*REVDAT   2   15-NOV-23 6F7O    1
*REVDAT   1   01-AUG-18 6F7O    0                                                
# Restraints file 1: A5ST.upl
  3 PRO  HB2     3 PRO  HA      3.17            #peak     5
  3 PRO  HA      3 PRO  HB2     5.50            #peak    20
  2 ASP  H       2 ASP  HB2     4.57            #peak    34
  2 ASP  H       2 ASP  HB3     4.32            #peak    35
  2 ASP  HA      2 ASP  HB3     3.33            #peak    39
  4 GLN  H       4 GLN  QB      5.14            #peak    48
  4 GLN  HA      4 GLN  QB      4.92            #peak    51
  4 GLN  HA      4 GLN  QB      5.05            #peak    56
  3 PRO  HA      4 GLN  H       4.11            #peak    59
  5 HIS  H       5 HIS  QB      5.95            #peak    64
  5 HIS  HA      5 HIS  QB      4.12            #peak    66
  9 LEU  HA      9 LEU  HB3     3.33            #peak    93
  9 LEU  HA      9 LEU  HB2     3.61            #peak    97
  9 LEU  HA      9 LEU  HB3     3.64            #peak    98
  9 LEU  H       9 LEU  HA      3.14            #peak   102
  9 LEU  H       9 LEU  HB2     3.24            #peak   103
  9 LEU  H       9 LEU  HB3     3.30            #peak   104
  8 LYS  H       8 LYS  QB      3.68            #peak   150
  8 LYS  HA      9 LEU  H       3.86            #peak   151
  7 ARG  HA      7 ARG  HB2     3.17            #peak   159
  7 ARG  HA      7 ARG  HB2     3.14            #peak   168
  7 ARG  HA      7 ARG  HB3     3.42            #peak   171
  7 ARG  H       7 ARG  HA      3.11            #peak   177
  7 ARG  H       7 ARG  HB2     3.36            #peak   178
  7 ARG  H       7 ARG  HB3     3.21            #peak   179
 14 ARG  H      14 ARG  HA      3.52            #peak   180
 14 ARG  HA     14 ARG  HB2     3.89            #peak   193
 14 ARG  HA     14 ARG  HB2     3.64            #peak   206
 14 ARG  HA     14 ARG  HB3     4.07            #peak   208
 13 ALA  H      13 ALA  HA      4.17            #peak   225
 12 ALA  H      12 ALA  HA      3.33            #peak   230
 11 GLN  HA     11 GLN  HB3     3.36            #peak   256
 11 GLN  HA     11 GLN  HB2     3.24            #peak   257
 11 GLN  H      11 GLN  HA      3.05            #peak   260
 11 GLN  H      11 GLN  HB2     3.14            #peak   261
 11 GLN  H      11 GLN  HB3     3.17            #peak   262
 11 GLN  HA     12 ALA  H       3.42            #peak   263
 12 ALA  HA     13 ALA  H       4.14            #peak   264
  7 ARG  HA     11 GLN  H       3.73            #peak   266
  7 ARG  HA      8 LYS  H       3.95            #peak   267
  5 HIS  HA      8 LYS  H       3.55            #peak   268
  4 GLN  HA      7 ARG  H       4.51            #peak   269
  5 HIS  HA      7 ARG  H       4.45            #peak   270
  3 PRO  HA      7 ARG  H       5.22            #peak   271
  9 LEU  HA     10 MLYS H       3.52            #peak   273
  7 ARG  HA     10 MLYS H       3.52            #peak   274
  5 HIS  HA      6 MLYS H       3.52            #peak   276
  3 PRO  HA      6 MLYS H       4.14            #peak   277
  5 HIS  QB      6 MLYS H       4.40            #peak   278
  9 LEU  HB2    10 MLYS H       3.17            #peak   279
  9 LEU  HB3    10 MLYS H       3.39            #peak   280
  8 LYS  QB      9 LEU  H       4.36            #peak   282
 10 MLYS H      11 GLN  H       3.33            #peak   285
  8 LYS  H      10 MLYS H       4.04            #peak   286
  9 LEU  H      10 MLYS H       3.11            #peak   287
  6 MLYS H       7 ARG  H       3.92            #peak   288
  7 ARG  H       8 LYS  H       3.58            #peak   289
 11 GLN  H      12 ALA  H       5.50            #peak   290
  8 LYS  H       9 LEU  H       3.48            #peak   291
  8 LYS  H       9 LEU  H       5.50            #peak   292
  9 LEU  H      10 MLYS H       3.05            #peak   293
  7 ARG  H       8 LYS  H       3.05            #peak   294
 11 GLN  H      12 ALA  H       3.48            #peak   295
 10 MLYS H      11 GLN  H       3.48            #peak   296
  6 MLYS H       7 ARG  H       3.36            #peak   297
  6 MLYS H       6 MLYS HB2     3.27            #peak   298
  6 MLYS H       6 MLYS HB3     3.27            #peak   299
 11 GLN  HB3    12 ALA  H       3.73            #peak   314
 11 GLN  HB2    12 ALA  H       3.79            #peak   315
  6 MLYS HB2     7 ARG  H       3.55            #peak   319
  6 MLYS HB3     7 ARG  H       3.48            #peak   320
  4 GLN  HA      7 ARG  HB2     3.83            #peak   372
  4 GLN  HA      7 ARG  HB3     3.76            #peak   373
  5 HIS  HA      8 LYS  QB      4.36            #peak   374
 10 MLYS H      10 MLYS HB2     3.14            #peak   384
 10 MLYS H      10 MLYS HB3     3.39            #peak   395
 10 MLYS HB3    11 GLN  H       3.17            #peak   396
  9 LEU  HA     12 ALA  H       3.95            #peak   398
  8 LYS  HA     11 GLN  H       3.55            #peak   400
  7 ARG  HA     10 MLYS HB3     3.89            #peak   402
  7 ARG  HA     10 MLYS HB2     3.76            #peak   403
  8 LYS  HA     11 GLN  HB3     3.33            #peak   406
  8 LYS  HA     11 GLN  HB2     3.30            #peak   407
 10 MLYS HB2    11 GLN  H       3.33            #peak   413
  6 MLYS H       8 LYS  H       4.51            #peak   443
  9 LEU  H      11 GLN  H       4.29            #peak   444
  7 ARG  H       9 LEU  H       4.23            #peak   445
  7 ARG  H      10 MLYS H       4.88            #peak   447
  3 PRO  HB3     3 PRO  HB2     3.36            #peak    12
  3 PRO  HB2     3 PRO  HB3     3.11            #peak    13
  3 PRO  HA      3 PRO  QG      5.83            #peak    22
  4 GLN  HA      4 GLN  HG2     5.50            #peak    49
  4 GLN  QB      4 GLN  HG2     4.98            #peak    52
  4 GLN  QB      4 GLN  HG3     4.18            #peak    53
  4 GLN  QB      4 GLN  HG3     3.84            #peak    54
  4 GLN  QB      4 GLN  HG2     4.21            #peak    55
  4 GLN  HA      4 GLN  HG3     5.50            #peak    57
  4 GLN  HA      4 GLN  HG2     5.50            #peak    58
  5 HIS  HA      5 HIS  HD1     5.50            #peak    70
  5 HIS  QB      5 HIS  HD1     4.89            #peak    71
  9 LEU  HA      9 LEU  HG      4.01            #peak    99
  9 LEU  H       9 LEU  HG      3.58            #peak   105
  8 LYS  HA      8 LYS  HG2     5.34            #peak   116
  8 LYS  HA      8 LYS  HG3     5.19            #peak   117
  8 LYS  QB      8 LYS  HG2     4.86            #peak   124
  8 LYS  HG2     8 LYS  QD      3.56            #peak   144
  8 LYS  QB      8 LYS  QD      7.26            #peak   146
  8 LYS  QD      8 LYS  QE      7.26            #peak   147
  7 ARG  HA      7 ARG  QG      6.38            #peak   161
  7 ARG  HB3     7 ARG  QD      6.13            #peak   164
  7 ARG  HB2     7 ARG  QD      6.38            #peak   167
  7 ARG  HB3     7 ARG  QD      6.38            #peak   170
  7 ARG  HB3     7 ARG  QG      4.06            #peak   172
  7 ARG  HB2     7 ARG  QG      4.49            #peak   173
  7 ARG  HA      7 ARG  QG      6.32            #peak   175
 14 ARG  HB2    14 ARG  QD      6.38            #peak   205
 14 ARG  HB3    14 ARG  HG3     3.30            #peak   210
 14 ARG  HB2    14 ARG  HG2     3.30            #peak   212
 14 ARG  HA     14 ARG  HG3     5.50            #peak   217
 11 GLN  HA     11 GLN  HG2     5.50            #peak   240
 11 GLN  HA     11 GLN  HG3     5.50            #peak   241
 11 GLN  HG3    11 GLN  HG2     5.50            #peak   246
 11 GLN  HG2    11 GLN  HG3     5.50            #peak   249
 11 GLN  HB2    11 GLN  HG3     3.52            #peak   252
 11 GLN  HB2    11 GLN  HG2     5.50            #peak   253
 11 GLN  HA     11 GLN  HG3     5.50            #peak   258
 11 GLN  HA     11 GLN  HG2     5.50            #peak   259
  1 ACE  H11     2 ASP  H       5.22            #peak   281
 11 GLN  H      11 GLN  HG3     5.38            #peak   283
 11 GLN  H      11 GLN  HG2     4.38            #peak   284
  6 MLYS QG      7 ARG  H       6.38            #peak   305
  6 MLYS QG      6 MLYS HE      5.67            #peak   307
 10 MLYS HG2    10 MLYS HE      4.07            #peak   309
 10 MLYS HG3    10 MLYS HE      5.50            #peak   310
  6 MLYS HB3     6 MLYS HE      5.19            #peak   321
  6 MLYS HB2     6 MLYS HE      5.50            #peak   322
  6 MLYS HD3     6 MLYS HE      3.21            #peak   323
  6 MLYS HD2     6 MLYS HE      5.04            #peak   324
  6 MLYS HB2     6 MLYS QG      4.46            #peak   332
  6 MLYS HB3     6 MLYS QG      4.55            #peak   333
  6 MLYS HB3     6 MLYS QG      4.06            #peak   334
  6 MLYS HB2     6 MLYS QG      4.33            #peak   335
  6 MLYS QG      6 MLYS HD3     6.38            #peak   336
  6 MLYS QG      6 MLYS HD2     6.38            #peak   337
 10 MLYS HD2    10 MLYS HE      4.11            #peak   338
 10 MLYS HD3    10 MLYS HE      3.36            #peak   339
 10 MLYS HB2    10 MLYS HE      4.42            #peak   340
 10 MLYS HD3    10 MLYS HD2     3.61            #peak   348
 10 MLYS HB2    10 MLYS HD2     3.61            #peak   349
 10 MLYS HG3    10 MLYS HD2     5.50            #peak   352
 10 MLYS HB2    10 MLYS HD2     5.50            #peak   359
 10 MLYS HB3    10 MLYS HG2     3.17            #peak   361
 10 MLYS HB3    10 MLYS HD2     3.48            #peak   364
 10 MLYS HG2    10 MLYS HD2     3.48            #peak   366
 10 MLYS HG2    10 MLYS HG3     5.50            #peak   367
 10 MLYS HB3    10 MLYS HG3     3.86            #peak   368
 10 MLYS HB2    10 MLYS HG3     4.20            #peak   369
 10 MLYS HG3    10 MLYS HD2     4.04            #peak   371
 10 MLYS H      10 MLYS HD2     4.97            #peak   380
 10 MLYS H      10 MLYS HG3     3.05            #peak   382
 10 MLYS H      10 MLYS HG2     4.54            #peak   383
  6 MLYS HE     10 MLYS HE      5.50            #peak   385
  6 MLYS HE     10 MLYS HE      5.50            #peak   386
  6 MLYS QG     10 MLYS HE      6.38            #peak   387
  6 MLYS HE     10 MLYS HG3     5.50            #peak   388
  6 MLYS HE     10 MLYS HG2     5.50            #peak   389
  2 ASP  HB3     5 HIS  QB      6.38            #peak   414
  2 ASP  HB2     5 HIS  QB      6.38            #peak   415
 10 MLYS H      10 MLYS HD3     5.38            #peak   416
  6 MLYS H       6 MLYS HD3     5.38            #peak   417
  6 MLYS HD3     7 ARG  H       4.54            #peak   418
  8 LYS  H       8 LYS  HG2     4.76            #peak   421
  8 LYS  H       8 LYS  HG3     5.07            #peak   422
  7 ARG  QG      8 LYS  H       6.38            #peak   423
  2 ASP  HB2     3 PRO  HD3     5.50            #peak   429
  2 ASP  HB3     3 PRO  HD3     5.50            #peak   430
  5 HIS  QB      8 LYS  HG3     6.38            #peak   431
  9 LEU  HB2     9 LEU  HB3     5.50            #peak   436
  7 ARG  H      10 MLYS HD2     5.31            #peak   442
  9 LEU  HB3     9 LEU  QD1     4.81            #peak    86
  9 LEU  HB2     9 LEU  QD1     5.19            #peak    87
  9 LEU  HB3     9 LEU  QD2     5.15            #peak    89
  9 LEU  HB2     9 LEU  QD2     6.52            #peak    90
  9 LEU  HA      9 LEU  QD2     4.97            #peak   101
 13 ALA  QB     13 ALA  HA      5.03            #peak   223
 13 ALA  H      13 ALA  QB      4.32            #peak   226
 12 ALA  H      12 ALA  QB      3.95            #peak   231
 12 ALA  QB     12 ALA  HA      4.53            #peak   232
  6 MLYS H       6 MLYS QB1     5.47            #peak   303
  6 MLYS QB1     7 ARG  H       6.30            #peak   304
  5 HIS  HD1     6 MLYS QB1     4.82            #peak   313
 10 MLYS QB1    11 GLN  H       5.99            #peak   318
  9 LEU  HA     12 ALA  QB      4.26            #peak   375
 10 MLYS H      10 MLYS QB1     4.57            #peak   381
  6 MLYS QB1     9 LEU  H       4.29            #peak   390
 10 MLYS QB1    13 ALA  H       5.06            #peak   391
  9 LEU  H       9 LEU  QD2     6.52            #peak   408
  9 LEU  HA      9 LEU  QD2     4.57            #peak   410
  5 HIS  HE1     9 LEU  QD2     6.08            #peak   411
  5 HIS  HE1     9 LEU  QD1     6.52            #peak   412
  5 HIS  HD1     9 LEU  QD1     6.52            #peak   426
  5 HIS  HD1     9 LEU  QD2     6.52            #peak   427
  9 LEU  H       9 LEU  QD1     6.52            #peak   428
  8 LYS  HG3     9 LEU  QD1     5.43            #peak   433
  8 LYS  HG3     9 LEU  QD2     5.53            #peak   434
  6 MLYS QB1     6 MLYS QG      6.04            #peak   438
  6 MLYS QB1     6 MLYS HB2     4.04            #peak   439
  6 MLYS QB1     6 MLYS HB3     4.23            #peak   440
  6 MLYS CE     10 MLYS CE      1.34 
# Restraints file 2: A5ST.aco
   2 ASP   PHI    -315.0   -45.0
   2 ASP   PHI    -185.0    75.0
   2 ASP   CHI1   -195.0   115.0
   2 ASP   PSI      55.0   165.0
   2 ASP   PSI    -215.0    85.0
   3 PRO   PSI    -295.0     5.0
   3 PRO   PSI     -55.0   195.0
   4 GLN   PHI    -315.0   -45.0
   4 GLN   PHI    -185.0    75.0
   4 GLN   CHI1   -335.0   -25.0
   4 GLN   CHI1   -205.0    95.0
   4 GLN   CHI2   -345.0   -15.0
   4 GLN   PSI     -85.0   195.0
   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
   7 ARG   PHI    -315.0   -45.0
   7 ARG   PHI    -185.0    65.0
   7 ARG   CHI1   -315.0   -45.0
   7 ARG   CHI1   -295.0    55.0
   7 ARG   CHI1   -205.0    85.0
   7 ARG   CHI1    -55.0   295.0
   7 ARG   CHI2   -325.0   -35.0
   7 ARG   PSI     -85.0    85.0
   8 LYS   PHI    -315.0   -45.0
   8 LYS   PHI    -185.0    75.0
   8 LYS   CHI1   -335.0   -25.0
   8 LYS   CHI1   -205.0    95.0
   8 LYS   CHI2   -325.0   -35.0
   8 LYS   PSI     -85.0   115.0
   9 LEU   PHI    -115.0   -45.0
   9 LEU   CHI1   -135.0   -85.0
   9 LEU   CHI2     85.0   195.0
   9 LEU   PSI     -85.0   -25.0
  11 GLN   PHI    -155.0   -45.0
  11 GLN   CHI1   -205.0  -105.0
  11 GLN   CHI2   -335.0   -25.0
  11 GLN   PSI     -85.0     5.0
  12 ALA   PHI    -315.0   -45.0
  12 ALA   PHI    -185.0    75.0
  12 ALA   PSI     -85.0   205.0
  13 ALA   PHI    -315.0   -45.0
  13 ALA   PHI    -185.0    75.0
  13 ALA   PSI     -85.0   205.0
  14 ARG   PHI    -315.0   -45.0
  14 ARG   PHI    -185.0    75.0
  14 ARG   CHI1   -335.0   -25.0
  14 ARG   CHI1   -205.0    95.0
  14 ARG   CHI2   -325.0   -35.0
  14 ARG   PSI     -85.0   205.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   1           H1       ACE   1  -5.219   0.425   7.780
    2    H2   ACE   1           H2       ACE   1  -6.579   1.543   7.509
    3    H3   ACE   1           H3       ACE   1  -5.334   1.332   6.253
    4    H    ASP   2           H        ASP   2  -6.404   3.254   8.687
    5    HA   ASP   2           HA       ASP   2  -5.584   5.150   9.644
    6    HB2  ASP   2           HB2      ASP   2  -3.163   3.381  10.049
    7    HB3  ASP   2           HB3      ASP   2  -3.451   4.908  10.876
    8    HA   PRO   3           HA       PRO   3  -3.255   6.243   5.763
    9    HB2  PRO   3           HB2      PRO   3  -4.966   8.205   4.997
   10    HB3  PRO   3           HB3      PRO   3  -5.195   6.509   4.561
   11    HG2  PRO   3           HG2      PRO   3  -6.488   8.092   6.749
   12    HG3  PRO   3           HG3      PRO   3  -7.218   6.929   5.626
   13    HD2  PRO   3           HD2      PRO   3  -6.570   6.284   8.175
   14    HD3  PRO   3           HD3      PRO   3  -6.500   5.110   6.845
   15    H    GLN   4           H        GLN   4  -4.549   8.011   8.475
   16    HA   GLN   4           HA       GLN   4  -3.407  10.517   8.061
   17    HB2  GLN   4           HB2      GLN   4  -3.588  10.820  10.489
   18    HB3  GLN   4           HB3      GLN   4  -5.042  10.094   9.820
   19    HG2  GLN   4           HG2      GLN   4  -3.741   7.866  10.483
   20    HG3  GLN   4           HG3      GLN   4  -3.030   8.964  11.665
   21   HE21  GLN   4          HE21      GLN   4  -5.744   7.112  10.806
   22   HE22  GLN   4          HE22      GLN   4  -6.767   7.565  12.123
   23    H    HIS   5           H        HIS   5  -2.022   7.560   9.368
   24    HA   HIS   5           HA       HIS   5   0.451   8.825  10.133
   25    HB2  HIS   5           HB2      HIS   5  -0.731   6.619  11.039
   26    HB3  HIS   5           HB3      HIS   5   0.258   5.869   9.791
   27    HD1  HIS   5           HD1      HIS   5   2.922   6.952   9.994
   28    HD2  HIS   5           HD2      HIS   5   0.569   6.543  13.394
   29    HE1  HIS   5           HE1      HIS   5   4.531   6.923  11.927
   30    H    MK8   6           H2       MK8   6  -0.774   7.029   7.289
   31    HB   MK8   6           HB       MK8   6  -0.556   5.690   5.052
   32    HBA  MK8   6           HBA      MK8   6  -1.076   7.325   4.789
   33    HD   MK8   6           HD       MK8   6  -1.202   7.666   2.246
   34    HDA  MK8   6           HDA      MK8   6  -0.058   8.750   3.002
   35    HE   MK8   6           HE       MK8   6   0.369   7.067   0.447
   36    HG   MK8   6           HG       MK8   6   1.452   6.645   3.324
   37    HGA  MK8   6           HGA      MK8   6   0.054   5.704   2.864
   38    HB1  MK8   6           HB1      MK8   6   1.503   5.074   6.056
   39   HB1A  MK8   6          HB1A      MK8   6   2.579   6.053   5.059
   40   HB1B  MK8   6          HB1B      MK8   6   2.606   6.200   6.794
   41    H    ARG   7           H        ARG   7  -0.431   9.316   5.870
   42    HA   ARG   7           HA       ARG   7   1.120  11.051   4.333
   43    HB2  ARG   7           HB2      ARG   7  -1.320  11.294   5.107
   44    HB3  ARG   7           HB3      ARG   7  -0.650  11.981   6.582
   45    HG2  ARG   7           HG2      ARG   7  -0.954  13.900   5.432
   46    HG3  ARG   7           HG3      ARG   7   0.646  13.488   4.812
   47    HD2  ARG   7           HD2      ARG   7  -1.213  12.124   3.202
   48    HD3  ARG   7           HD3      ARG   7  -1.833  13.763   3.399
   49    HE   ARG   7           HE       ARG   7   0.750  14.187   2.777
   50   HH11  ARG   7          HH11      ARG   7  -1.092  12.378  -0.283
   51   HH12  ARG   7          HH12      ARG   7  -1.732  12.228   1.319
   52   HH21  ARG   7          HH21      ARG   7   0.805  13.609  -0.652
   53   HH22  ARG   7          HH22      ARG   7   1.603  14.392   0.671
   54    H    LYS   8           H        LYS   8   0.963  10.671   7.863
   55    HA   LYS   8           HA       LYS   8   2.737  12.689   8.576
   56    HB2  LYS   8           HB2      LYS   8   1.559  11.720  10.348
   57    HB3  LYS   8           HB3      LYS   8   1.966  10.083   9.850
   58    HG2  LYS   8           HG2      LYS   8   3.125  10.778  11.902
   59    HG3  LYS   8           HG3      LYS   8   4.238  10.371  10.596
   60    HD2  LYS   8           HD2      LYS   8   5.140  12.405  10.655
   61    HD3  LYS   8           HD3      LYS   8   3.554  13.163  10.497
   62    HE2  LYS   8           HE2      LYS   8   4.475  13.947  12.534
   63    HE3  LYS   8           HE3      LYS   8   3.245  12.762  12.966
   64    HZ1  LYS   8           HZ1      LYS   8   5.722  11.463  12.651
   65    HZ2  LYS   8           HZ2      LYS   8   4.765  11.591  14.040
   66    HZ3  LYS   8           HZ3      LYS   8   5.926  12.776  13.701
   67    H    LEU   9           H        LEU   9   3.406   9.280   7.829
   68    HA   LEU   9           HA       LEU   9   6.214   9.494   8.216
   69    HB2  LEU   9           HB2      LEU   9   4.312   7.475   7.294
   70    HB3  LEU   9           HB3      LEU   9   5.886   7.377   6.507
   71    HG   LEU   9           HG       LEU   9   5.737   7.509   9.488
   72   HD11  LEU   9          HD11      LEU   9   5.406   5.188   9.707
   73   HD12  LEU   9          HD12      LEU   9   5.534   4.924   7.968
   74   HD13  LEU   9          HD13      LEU   9   4.127   5.756   8.632
   75   HD21  LEU   9          HD21      LEU   9   7.790   7.368   7.660
   76   HD22  LEU   9          HD22      LEU   9   7.603   5.693   8.184
   77   HD23  LEU   9          HD23      LEU   9   7.900   6.962   9.374
   78    H    MK8  10           H2       MK8  10   4.099   9.799   5.326
   79    HB   MK8  10           HB       MK8  10   3.301  11.258   3.586
   80    HBA  MK8  10           HBA      MK8  10   4.289  11.585   2.192
   81    HD   MK8  10           HD       MK8  10   1.415  10.166   2.399
   82    HDA  MK8  10           HDA      MK8  10   2.192  10.759   0.952
   83    HE   MK8  10           HE       MK8  10   2.058   8.595  -0.173
   84    HG   MK8  10           HG       MK8  10   4.169   9.295   1.410
   85    HGA  MK8  10           HGA      MK8  10   3.422   8.736   2.896
   86    HB1  MK8  10           HB1      MK8  10   5.946   8.692   2.879
   87   HB1A  MK8  10          HB1A      MK8  10   6.516  10.119   1.992
   88   HB1B  MK8  10          HB1B      MK8  10   7.303   9.607   3.479
   89    H    GLN  11           H        GLN  11   4.528  12.368   5.342
   90    HA   GLN  11           HA       GLN  11   5.916  14.678   4.606
   91    HB2  GLN  11           HB2      GLN  11   3.810  14.222   6.194
   92    HB3  GLN  11           HB3      GLN  11   5.044  14.400   7.435
   93    HG2  GLN  11           HG2      GLN  11   5.195  16.485   5.426
   94    HG3  GLN  11           HG3      GLN  11   3.625  16.428   6.225
   95   HE21  GLN  11          HE21      GLN  11   3.752  16.241   8.653
   96   HE22  GLN  11          HE22      GLN  11   4.934  17.218   9.445
   97    H    ALA  12           H        ALA  12   6.868  12.012   6.563
   98    HA   ALA  12           HA       ALA  12   8.925  13.378   8.023
   99    HB1  ALA  12           HB1      ALA  12   8.867  10.416   7.577
  100    HB2  ALA  12           HB2      ALA  12   9.429  11.322   8.984
  101    HB3  ALA  12           HB3      ALA  12   7.702  11.196   8.646
  102    H    ALA  13           H        ALA  13   8.740  11.556   5.027
  103    HA   ALA  13           HA       ALA  13  11.565  11.370   4.638
  104    HB1  ALA  13           HB1      ALA  13  10.054  11.228   2.185
  105    HB2  ALA  13           HB2      ALA  13  10.990   9.977   3.003
  106    HB3  ALA  13           HB3      ALA  13   9.307  10.254   3.450
  107    H    ARG  14           H        ARG  14  12.906  12.600   3.355
  108    HA   ARG  14           HA       ARG  14  11.854  15.246   2.623
  109    HB2  ARG  14           HB2      ARG  14  14.122  14.483   4.096
  110    HB3  ARG  14           HB3      ARG  14  14.732  15.068   2.555
  111    HG2  ARG  14           HG2      ARG  14  13.528  17.166   2.864
  112    HG3  ARG  14           HG3      ARG  14  12.892  16.576   4.400
  113    HD2  ARG  14           HD2      ARG  14  14.677  17.676   5.241
  114    HD3  ARG  14           HD3      ARG  14  15.521  16.190   4.809
  115    HE   ARG  14           HE       ARG  14  15.453  18.133   2.695
  116   HH11  ARG  14          HH11      ARG  14  18.646  17.777   5.082
  117   HH12  ARG  14          HH12      ARG  14  17.138  17.067   5.548
  118   HH21  ARG  14          HH21      ARG  14  18.813  18.918   3.102
  119   HH22  ARG  14          HH22      ARG  14  17.434  19.073   2.068
  120    HN1  NH2  15           HN1      NH2  15  12.468  16.228   0.638
  121    HN2  NH2  15           HN2      NH2  15  12.964  15.275  -0.721
  Start of MODEL    2
    1    H1   ACE   1           H1       ACE   1  -7.041   1.725   7.588
    2    H2   ACE   1           H2       ACE   1  -5.451   0.936   7.457
    3    H3   ACE   1           H3       ACE   1  -6.412   0.761   8.943
    4    H    ASP   2           H        ASP   2  -7.217   3.153   9.576
    5    HA   ASP   2           HA       ASP   2  -6.639   5.145  10.515
    6    HB2  ASP   2           HB2      ASP   2  -5.168   3.538  11.789
    7    HB3  ASP   2           HB3      ASP   2  -3.861   3.965  10.688
    8    HA   PRO   3           HA       PRO   3  -4.800   6.619   6.496
    9    HB2  PRO   3           HB2      PRO   3  -6.855   8.283   5.883
   10    HB3  PRO   3           HB3      PRO   3  -6.837   6.574   5.436
   11    HG2  PRO   3           HG2      PRO   3  -8.211   7.914   7.733
   12    HG3  PRO   3           HG3      PRO   3  -8.821   6.654   6.645
   13    HD2  PRO   3           HD2      PRO   3  -7.898   6.110   9.132
   14    HD3  PRO   3           HD3      PRO   3  -7.732   4.970   7.781
   15    H    GLN   4           H        GLN   4  -3.271   7.616   8.006
   16    HA   GLN   4           HA       GLN   4  -3.374  10.435   7.912
   17    HB2  GLN   4           HB2      GLN   4  -4.978   9.880   9.825
   18    HB3  GLN   4           HB3      GLN   4  -3.555   9.357  10.718
   19    HG2  GLN   4           HG2      GLN   4  -3.296  12.009   9.521
   20    HG3  GLN   4           HG3      GLN   4  -4.583  11.878  10.717
   21   HE21  GLN   4          HE21      GLN   4  -1.531  12.792  10.389
   22   HE22  GLN   4          HE22      GLN   4  -0.903  12.414  11.953
   23    H    HIS   5           H        HIS   5  -2.027   7.606   9.549
   24    HA   HIS   5           HA       HIS   5   0.474   8.818  10.165
   25    HB2  HIS   5           HB2      HIS   5  -0.669   6.663  11.138
   26    HB3  HIS   5           HB3      HIS   5   0.174   5.858   9.819
   27    HD1  HIS   5           HD1      HIS   5   2.327   4.921  10.555
   28    HD2  HIS   5           HD2      HIS   5   1.387   8.401  12.620
   29    HE1  HIS   5           HE1      HIS   5   4.230   5.287  12.158
   30    H    MK8   6           H2       MK8   6  -0.787   7.020   7.368
   31    HB   MK8   6           HB       MK8   6  -0.722   5.772   5.169
   32    HBA  MK8   6           HBA      MK8   6  -1.197   7.431   4.943
   33    HD   MK8   6           HD       MK8   6  -1.268   7.901   2.328
   34    HDA  MK8   6           HDA      MK8   6   0.003   8.814   3.102
   35    HE   MK8   6           HE       MK8   6   0.285   7.083   0.559
   36    HG   MK8   6           HG       MK8   6   1.213   6.494   3.340
   37    HGA  MK8   6           HGA      MK8   6  -0.326   5.789   2.933
   38    HB1  MK8   6           HB1      MK8   6   2.561   6.184   6.743
   39   HB1A  MK8   6          HB1A      MK8   6   1.401   5.070   6.049
   40   HB1B  MK8   6          HB1B      MK8   6   2.452   6.035   5.007
   41    H    ARG   7           H        ARG   7  -0.442   9.318   5.903
   42    HA   ARG   7           HA       ARG   7   1.105  11.053   4.358
   43    HB2  ARG   7           HB2      ARG   7  -1.340  11.274   5.208
   44    HB3  ARG   7           HB3      ARG   7  -0.613  12.040   6.614
   45    HG2  ARG   7           HG2      ARG   7   0.597  13.448   4.698
   46    HG3  ARG   7           HG3      ARG   7  -0.887  13.022   3.843
   47    HD2  ARG   7           HD2      ARG   7  -1.911  13.787   6.211
   48    HD3  ARG   7           HD3      ARG   7  -0.468  14.797   6.165
   49    HE   ARG   7           HE       ARG   7  -1.731  15.031   3.697
   50   HH11  ARG   7          HH11      ARG   7  -3.370  17.148   6.672
   51   HH12  ARG   7          HH12      ARG   7  -2.359  15.789   7.037
   52   HH21  ARG   7          HH21      ARG   7  -3.770  17.731   4.495
   53   HH22  ARG   7          HH22      ARG   7  -3.061  16.818   3.205
   54    H    LYS   8           H        LYS   8   0.954  10.693   7.892
   55    HA   LYS   8           HA       LYS   8   2.739  12.699   8.595
   56    HB2  LYS   8           HB2      LYS   8   1.571  11.734  10.371
   57    HB3  LYS   8           HB3      LYS   8   1.971  10.095   9.872
   58    HG2  LYS   8           HG2      LYS   8   3.142  10.787  11.919
   59    HG3  LYS   8           HG3      LYS   8   4.246  10.377  10.607
   60    HD2  LYS   8           HD2      LYS   8   5.137  12.421  10.621
   61    HD3  LYS   8           HD3      LYS   8   3.543  13.181  10.552
   62    HE2  LYS   8           HE2      LYS   8   4.624  13.909  12.557
   63    HE3  LYS   8           HE3      LYS   8   3.334  12.792  13.008
   64    HZ1  LYS   8           HZ1      LYS   8   6.251  12.299  12.977
   65    HZ2  LYS   8           HZ2      LYS   8   5.131  11.033  13.028
   66    HZ3  LYS   8           HZ3      LYS   8   5.179  12.169  14.280
   67    H    LEU   9           H        LEU   9   3.400   9.288   7.846
   68    HA   LEU   9           HA       LEU   9   6.209   9.496   8.220
   69    HB2  LEU   9           HB2      LEU   9   4.298   7.481   7.305
   70    HB3  LEU   9           HB3      LEU   9   5.869   7.381   6.510
   71    HG   LEU   9           HG       LEU   9   5.736   7.514   9.491
   72   HD11  LEU   9          HD11      LEU   9   5.556   5.095   9.613
   73   HD12  LEU   9          HD12      LEU   9   5.357   5.003   7.864
   74   HD13  LEU   9          HD13      LEU   9   4.122   5.785   8.853
   75   HD21  LEU   9          HD21      LEU   9   7.786   6.236   9.321
   76   HD22  LEU   9          HD22      LEU   9   7.891   7.680   8.312
   77   HD23  LEU   9          HD23      LEU   9   7.590   6.107   7.572
   78    H    MK8  10           H2       MK8  10   4.087   9.807   5.325
   79    HB   MK8  10           HB       MK8  10   3.308  11.279   3.569
   80    HBA  MK8  10           HBA      MK8  10   4.306  11.569   2.170
   81    HD   MK8  10           HD       MK8  10   1.435  10.216   2.393
   82    HDA  MK8  10           HDA      MK8  10   2.226  10.723   0.926
   83    HE   MK8  10           HE       MK8  10   2.014   8.534  -0.117
   84    HG   MK8  10           HG       MK8  10   4.176   9.261   1.439
   85    HGA  MK8  10           HGA      MK8  10   3.414   8.743   2.937
   86    HB1  MK8  10           HB1      MK8  10   5.982   8.702   2.913
   87   HB1A  MK8  10          HB1A      MK8  10   6.506  10.127   1.997
   88   HB1B  MK8  10          HB1B      MK8  10   7.327   9.668   3.483
   89    H    GLN  11           H        GLN  11   4.519  12.380   5.354
   90    HA   GLN  11           HA       GLN  11   5.910  14.686   4.615
   91    HB2  GLN  11           HB2      GLN  11   3.880  14.082   6.379
   92    HB3  GLN  11           HB3      GLN  11   5.181  14.591   7.447
   93    HG2  GLN  11           HG2      GLN  11   3.675  16.429   6.800
   94    HG3  GLN  11           HG3      GLN  11   5.352  16.705   6.328
   95   HE21  GLN  11          HE21      GLN  11   2.643  14.911   4.896
   96   HE22  GLN  11          HE22      GLN  11   2.725  15.685   3.352
   97    H    ALA  12           H        ALA  12   6.879  12.011   6.550
   98    HA   ALA  12           HA       ALA  12   9.332  13.460   7.316
   99    HB1  ALA  12           HB1      ALA  12   7.547  12.424   9.069
  100    HB2  ALA  12           HB2      ALA  12   8.654  11.065   8.875
  101    HB3  ALA  12           HB3      ALA  12   9.267  12.631   9.405
  102    H    ALA  13           H        ALA  13   9.062  12.203   4.828
  103    HA   ALA  13           HA       ALA  13  10.008   9.552   4.762
  104    HB1  ALA  13           HB1      ALA  13   9.333   9.961   2.674
  105    HB2  ALA  13           HB2      ALA  13   9.560  11.701   2.850
  106    HB3  ALA  13           HB3      ALA  13  10.928  10.673   2.425
  107    H    ARG  14           H        ARG  14  11.978   8.692   4.996
  108    HA   ARG  14           HA       ARG  14  14.349  10.365   4.720
  109    HB2  ARG  14           HB2      ARG  14  13.490  10.345   7.153
  110    HB3  ARG  14           HB3      ARG  14  14.044   8.677   7.188
  111    HG2  ARG  14           HG2      ARG  14  16.211   9.258   7.284
  112    HG3  ARG  14           HG3      ARG  14  16.002  10.624   6.186
  113    HD2  ARG  14           HD2      ARG  14  14.932  10.690   8.988
  114    HD3  ARG  14           HD3      ARG  14  16.608  11.109   8.639
  115    HE   ARG  14           HE       ARG  14  15.201  12.644   6.907
  116   HH11  ARG  14          HH11      ARG  14  14.494  13.754  10.687
  117   HH12  ARG  14          HH12      ARG  14  15.057  12.150  10.350
  118   HH21  ARG  14          HH21      ARG  14  14.154  15.235   8.974
  119   HH22  ARG  14          HH22      ARG  14  14.460  14.757   7.337
  120    HN1  NH2  15           HN1      NH2  15  13.291   8.256   3.102
  121    HN2  NH2  15           HN2      NH2  15  14.413   6.937   3.147
  Start of MODEL    3
    1    H1   ACE   1           H1       ACE   1  -6.402   0.666   8.388
    2    H2   ACE   1           H2       ACE   1  -7.145   1.715   7.158
    3    H3   ACE   1           H3       ACE   1  -5.512   1.056   6.896
    4    H    ASP   2           H        ASP   2  -7.423   3.114   9.017
    5    HA   ASP   2           HA       ASP   2  -6.942   5.072  10.078
    6    HB2  ASP   2           HB2      ASP   2  -4.572   3.339  10.613
    7    HB3  ASP   2           HB3      ASP   2  -4.474   5.040  11.064
    8    HA   PRO   3           HA       PRO   3  -4.748   6.700   6.317
    9    HB2  PRO   3           HB2      PRO   3  -6.710   8.452   5.642
   10    HB3  PRO   3           HB3      PRO   3  -6.701   6.765   5.109
   11    HG2  PRO   3           HG2      PRO   3  -8.208   8.033   7.365
   12    HG3  PRO   3           HG3      PRO   3  -8.768   6.846   6.173
   13    HD2  PRO   3           HD2      PRO   3  -8.045   6.154   8.689
   14    HD3  PRO   3           HD3      PRO   3  -7.810   5.076   7.298
   15    H    GLN   4           H        GLN   4  -3.241   7.652   7.782
   16    HA   GLN   4           HA       GLN   4  -3.368  10.461   7.924
   17    HB2  GLN   4           HB2      GLN   4  -4.944   9.626   9.828
   18    HB3  GLN   4           HB3      GLN   4  -3.444   9.263  10.671
   19    HG2  GLN   4           HG2      GLN   4  -3.678  11.353  11.439
   20    HG3  GLN   4           HG3      GLN   4  -2.942  11.785   9.897
   21   HE21  GLN   4          HE21      GLN   4  -6.012  11.386  11.564
   22   HE22  GLN   4          HE22      GLN   4  -6.898  12.507  10.593
   23    H    HIS   5           H        HIS   5  -2.028   7.647   9.643
   24    HA   HIS   5           HA       HIS   5   0.484   8.826  10.181
   25    HB2  HIS   5           HB2      HIS   5  -0.664   6.666  11.151
   26    HB3  HIS   5           HB3      HIS   5   0.193   5.866   9.838
   27    HD1  HIS   5           HD1      HIS   5   2.287   4.880  10.675
   28    HD2  HIS   5           HD2      HIS   5   1.430   8.480  12.563
   29    HE1  HIS   5           HE1      HIS   5   4.189   5.271  12.271
   30    H    MK8   6           H2       MK8   6  -0.788   7.030   7.387
   31    HB   MK8   6           HB       MK8   6  -0.751   5.797   5.189
   32    HBA  MK8   6           HBA      MK8   6  -1.226   7.459   4.990
   33    HD   MK8   6           HD       MK8   6  -1.296   8.036   2.407
   34    HDA  MK8   6           HDA      MK8   6   0.042   8.862   3.162
   35    HE   MK8   6           HE       MK8   6   0.206   7.145   0.599
   36    HG   MK8   6           HG       MK8   6   1.131   6.468   3.324
   37    HGA  MK8   6           HGA      MK8   6  -0.458   5.869   2.935
   38    HB1  MK8   6           HB1      MK8   6   1.373   5.079   6.064
   39   HB1A  MK8   6          HB1A      MK8   6   2.404   6.026   4.983
   40   HB1B  MK8   6          HB1B      MK8   6   2.558   6.191   6.715
   41    H    ARG   7           H        ARG   7  -0.445   9.328   5.924
   42    HA   ARG   7           HA       ARG   7   1.099  11.061   4.375
   43    HB2  ARG   7           HB2      ARG   7  -1.316  11.356   5.093
   44    HB3  ARG   7           HB3      ARG   7  -0.702  11.916   6.641
   45    HG2  ARG   7           HG2      ARG   7  -0.939  13.922   5.625
   46    HG3  ARG   7           HG3      ARG   7   0.687  13.539   5.059
   47    HD2  ARG   7           HD2      ARG   7  -0.048  13.721   2.970
   48    HD3  ARG   7           HD3      ARG   7  -1.081  12.321   3.249
   49    HE   ARG   7           HE       ARG   7  -2.468  14.454   4.271
   50   HH11  ARG   7          HH11      ARG   7  -2.311  14.468   0.271
   51   HH12  ARG   7          HH12      ARG   7  -1.123  13.593   1.179
   52   HH21  ARG   7          HH21      ARG   7  -3.969  15.615   1.360
   53   HH22  ARG   7          HH22      ARG   7  -4.039  15.608   3.090
   54    H    LYS   8           H        LYS   8   0.958  10.700   7.909
   55    HA   LYS   8           HA       LYS   8   2.752  12.703   8.606
   56    HB2  LYS   8           HB2      LYS   8   1.587  11.739  10.387
   57    HB3  LYS   8           HB3      LYS   8   1.982  10.099   9.886
   58    HG2  LYS   8           HG2      LYS   8   3.162  10.790  11.930
   59    HG3  LYS   8           HG3      LYS   8   4.263  10.380  10.612
   60    HD2  LYS   8           HD2      LYS   8   5.119  12.444  10.550
   61    HD3  LYS   8           HD3      LYS   8   3.524  13.196  10.631
   62    HE2  LYS   8           HE2      LYS   8   4.730  11.945  13.066
   63    HE3  LYS   8           HE3      LYS   8   5.222  13.562  12.565
   64    HZ1  LYS   8           HZ1      LYS   8   2.755  12.679  13.769
   65    HZ2  LYS   8           HZ2      LYS   8   2.540  13.716  12.450
   66    HZ3  LYS   8           HZ3      LYS   8   3.474  14.211  13.770
   67    H    LEU   9           H        LEU   9   3.403   9.292   7.854
   68    HA   LEU   9           HA       LEU   9   6.215   9.494   8.217
   69    HB2  LEU   9           HB2      LEU   9   4.298   7.484   7.311
   70    HB3  LEU   9           HB3      LEU   9   5.863   7.381   6.510
   71    HG   LEU   9           HG       LEU   9   5.742   7.513   9.493
   72   HD11  LEU   9          HD11      LEU   9   5.424   5.178   9.703
   73   HD12  LEU   9          HD12      LEU   9   5.495   4.939   7.957
   74   HD13  LEU   9          HD13      LEU   9   4.116   5.769   8.676
   75   HD21  LEU   9          HD21      LEU   9   7.863   7.633   8.076
   76   HD22  LEU   9          HD22      LEU   9   7.576   5.929   7.718
   77   HD23  LEU   9          HD23      LEU   9   7.830   6.449   9.385
   78    H    MK8  10           H2       MK8  10   4.078   9.820   5.338
   79    HB   MK8  10           HB       MK8  10   3.287  11.301   3.586
   80    HBA  MK8  10           HBA      MK8  10   4.277  11.593   2.187
   81    HD   MK8  10           HD       MK8  10   1.403  10.297   2.376
   82    HDA  MK8  10           HDA      MK8  10   2.209  10.764   0.906
   83    HE   MK8  10           HE       MK8  10   1.932   8.581  -0.119
   84    HG   MK8  10           HG       MK8  10   4.129   9.283   1.445
   85    HGA  MK8  10           HGA      MK8  10   3.350   8.775   2.936
   86    HB1  MK8  10           HB1      MK8  10   7.290   9.642   3.461
   87   HB1A  MK8  10          HB1A      MK8  10   5.928   8.708   2.894
   88   HB1B  MK8  10          HB1B      MK8  10   6.471  10.130   1.985
   89    H    GLN  11           H        GLN  11   4.519  12.382   5.358
   90    HA   GLN  11           HA       GLN  11   5.911  14.685   4.614
   91    HB2  GLN  11           HB2      GLN  11   3.885  14.087   6.386
   92    HB3  GLN  11           HB3      GLN  11   5.190  14.591   7.450
   93    HG2  GLN  11           HG2      GLN  11   3.686  16.431   6.809
   94    HG3  GLN  11           HG3      GLN  11   5.360  16.705   6.330
   95   HE21  GLN  11          HE21      GLN  11   4.944  18.097   4.678
   96   HE22  GLN  11          HE22      GLN  11   4.132  17.638   3.223
   97    H    ALA  12           H        ALA  12   6.883  12.008   6.546
   98    HA   ALA  12           HA       ALA  12   9.154  13.478   7.665
   99    HB1  ALA  12           HB1      ALA  12   9.557  11.296   8.887
  100    HB2  ALA  12           HB2      ALA  12   8.078  12.167   9.301
  101    HB3  ALA  12           HB3      ALA  12   8.005  10.761   8.238
  102    H    ALA  13           H        ALA  13   9.126  13.055   4.861
  103    HA   ALA  13           HA       ALA  13  11.428  11.239   4.589
  104    HB1  ALA  13           HB1      ALA  13  10.680  10.504   2.458
  105    HB2  ALA  13           HB2      ALA  13   9.314  10.345   3.565
  106    HB3  ALA  13           HB3      ALA  13   9.380  11.697   2.433
  107    H    ARG  14           H        ARG  14  12.886  11.779   2.806
  108    HA   ARG  14           HA       ARG  14  13.579  14.518   2.819
  109    HB2  ARG  14           HB2      ARG  14  15.103  12.491   2.460
  110    HB3  ARG  14           HB3      ARG  14  14.549  12.513   0.792
  111    HG2  ARG  14           HG2      ARG  14  16.667  13.659   0.992
  112    HG3  ARG  14           HG3      ARG  14  15.396  14.797   0.548
  113    HD2  ARG  14           HD2      ARG  14  15.859  14.469   3.439
  114    HD3  ARG  14           HD3      ARG  14  17.180  15.209   2.536
  115    HE   ARG  14           HE       ARG  14  14.792  16.463   1.789
  116   HH11  ARG  14          HH11      ARG  14  16.442  17.693   5.223
  117   HH12  ARG  14          HH12      ARG  14  16.866  16.146   4.569
  118   HH21  ARG  14          HH21      ARG  14  14.942  19.032   4.125
  119   HH22  ARG  14          HH22      ARG  14  14.228  18.502   2.640
  120    HN1  NH2  15           HN1      NH2  15  12.437  12.436   0.133
  121    HN2  NH2  15           HN2      NH2  15  11.748  13.719  -0.804
  Start of MODEL    4
    1    H1   ACE   1           H1       ACE   1  -7.467   1.404   8.125
    2    H2   ACE   1           H2       ACE   1  -5.963   1.279   7.180
    3    H3   ACE   1           H3       ACE   1  -6.161   0.323   8.669
    4    H    ASP   2           H        ASP   2  -4.527   2.768   7.479
    5    HA   ASP   2           HA       ASP   2  -4.852   4.692   9.614
    6    HB2  ASP   2           HB2      ASP   2  -3.370   2.755  10.460
    7    HB3  ASP   2           HB3      ASP   2  -2.152   3.389   9.359
    8    HA   PRO   3           HA       PRO   3  -3.356   6.330   5.519
    9    HB2  PRO   3           HB2      PRO   3  -5.283   8.229   5.298
   10    HB3  PRO   3           HB3      PRO   3  -5.498   6.571   4.724
   11    HG2  PRO   3           HG2      PRO   3  -6.441   7.831   7.269
   12    HG3  PRO   3           HG3      PRO   3  -7.305   6.735   6.177
   13    HD2  PRO   3           HD2      PRO   3  -6.155   5.890   8.478
   14    HD3  PRO   3           HD3      PRO   3  -6.273   4.861   7.038
   15    H    GLN   4           H        GLN   4  -4.582   8.036   8.379
   16    HA   GLN   4           HA       GLN   4  -3.389  10.504   7.998
   17    HB2  GLN   4           HB2      GLN   4  -4.498   9.016  10.247
   18    HB3  GLN   4           HB3      GLN   4  -3.195  10.093  10.732
   19    HG2  GLN   4           HG2      GLN   4  -4.403  11.923   9.492
   20    HG3  GLN   4           HG3      GLN   4  -5.763  10.810   9.350
   21   HE21  GLN   4          HE21      GLN   4  -7.263  11.134  10.812
   22   HE22  GLN   4          HE22      GLN   4  -7.015  11.682  12.431
   23    H    HIS   5           H        HIS   5  -2.039   7.610   9.545
   24    HA   HIS   5           HA       HIS   5   0.463   8.818  10.166
   25    HB2  HIS   5           HB2      HIS   5  -0.780   6.534  10.959
   26    HB3  HIS   5           HB3      HIS   5   0.401   5.888   9.823
   27    HD1  HIS   5           HD1      HIS   5   2.868   7.461  10.385
   28    HD2  HIS   5           HD2      HIS   5   0.306   6.209  13.406
   29    HE1  HIS   5           HE1      HIS   5   4.259   7.440  12.480
   30    H    MK8   6           H2       MK8   6  -0.780   7.006   7.323
   31    HB   MK8   6           HB       MK8   6  -0.576   5.715   5.056
   32    HBA  MK8   6           HBA      MK8   6  -1.030   7.359   4.723
   33    HD   MK8   6           HD       MK8   6  -1.145   7.367   2.122
   34    HDA  MK8   6           HDA      MK8   6  -0.172   8.623   2.857
   35    HE   MK8   6           HE       MK8   6   0.504   6.906   0.399
   36    HG   MK8   6           HG       MK8   6   1.538   6.744   3.392
   37    HGA  MK8   6           HGA      MK8   6   0.285   5.604   2.956
   38    HB1  MK8   6           HB1      MK8   6   1.495   5.080   6.022
   39   HB1A  MK8   6          HB1A      MK8   6   2.615   6.105   5.121
   40   HB1B  MK8   6          HB1B      MK8   6   2.552   6.176   6.859
   41    H    ARG   7           H        ARG   7  -0.457   9.328   5.906
   42    HA   ARG   7           HA       ARG   7   1.090  11.062   4.363
   43    HB2  ARG   7           HB2      ARG   7  -1.360  11.263   5.279
   44    HB3  ARG   7           HB3      ARG   7  -0.587  12.101   6.616
   45    HG2  ARG   7           HG2      ARG   7   0.037  13.887   5.320
   46    HG3  ARG   7           HG3      ARG   7   0.037  12.943   3.830
   47    HD2  ARG   7           HD2      ARG   7  -2.112  13.398   3.419
   48    HD3  ARG   7           HD3      ARG   7  -2.583  13.071   5.086
   49    HE   ARG   7           HE       ARG   7  -2.000  15.635   3.916
   50   HH11  ARG   7          HH11      ARG   7  -2.422  15.190   7.873
   51   HH12  ARG   7          HH12      ARG   7  -2.187  13.797   6.866
   52   HH21  ARG   7          HH21      ARG   7  -2.495  17.279   6.939
   53   HH22  ARG   7          HH22      ARG   7  -2.312  17.476   5.231
   54    H    LYS   8           H        LYS   8   0.945  10.695   7.897
   55    HA   LYS   8           HA       LYS   8   2.736  12.696   8.600
   56    HB2  LYS   8           HB2      LYS   8   1.567  11.731  10.377
   57    HB3  LYS   8           HB3      LYS   8   1.963  10.093   9.876
   58    HG2  LYS   8           HG2      LYS   8   3.138  10.778  11.920
   59    HG3  LYS   8           HG3      LYS   8   4.241  10.368  10.604
   60    HD2  LYS   8           HD2      LYS   8   5.135  12.411  10.615
   61    HD3  LYS   8           HD3      LYS   8   3.544  13.174  10.560
   62    HE2  LYS   8           HE2      LYS   8   3.513  13.552  12.773
   63    HE3  LYS   8           HE3      LYS   8   4.229  11.985  13.150
   64    HZ1  LYS   8           HZ1      LYS   8   5.480  14.382  13.352
   65    HZ2  LYS   8           HZ2      LYS   8   6.064  13.789  11.880
   66    HZ3  LYS   8           HZ3      LYS   8   6.250  12.878  13.292
   67    H    LEU   9           H        LEU   9   3.386   9.288   7.841
   68    HA   LEU   9           HA       LEU   9   6.198   9.488   8.212
   69    HB2  LEU   9           HB2      LEU   9   4.283   7.479   7.298
   70    HB3  LEU   9           HB3      LEU   9   5.850   7.378   6.500
   71    HG   LEU   9           HG       LEU   9   5.725   7.505   9.482
   72   HD11  LEU   9          HD11      LEU   9   4.320   5.575   8.060
   73   HD12  LEU   9          HD12      LEU   9   4.825   5.490   9.747
   74   HD13  LEU   9          HD13      LEU   9   5.843   4.797   8.487
   75   HD21  LEU   9          HD21      LEU   9   7.558   5.882   7.757
   76   HD22  LEU   9          HD22      LEU   9   7.820   6.500   9.388
   77   HD23  LEU   9          HD23      LEU   9   7.838   7.605   8.013
   78    H    MK8  10           H2       MK8  10   4.082   9.828   5.301
   79    HB   MK8  10           HB       MK8  10   3.310  11.225   3.553
   80    HBA  MK8  10           HBA      MK8  10   4.299  11.530   2.151
   81    HD   MK8  10           HD       MK8  10   1.460   9.951   2.478
   82    HDA  MK8  10           HDA      MK8  10   2.172  10.631   1.032
   83    HE   MK8  10           HE       MK8  10   2.206   8.456  -0.125
   84    HG   MK8  10           HG       MK8  10   4.234   9.224   1.434
   85    HGA  MK8  10           HGA      MK8  10   3.537   8.675   2.948
   86    HB1  MK8  10           HB1      MK8  10   7.412   9.800   3.447
   87   HB1A  MK8  10          HB1A      MK8  10   6.110   8.713   2.969
   88   HB1B  MK8  10          HB1B      MK8  10   6.508  10.127   1.979
   89    H    GLN  11           H        GLN  11   4.510  12.381   5.355
   90    HA   GLN  11           HA       GLN  11   5.902  14.684   4.618
   91    HB2  GLN  11           HB2      GLN  11   3.877  14.083   6.386
   92    HB3  GLN  11           HB3      GLN  11   5.181  14.587   7.452
   93    HG2  GLN  11           HG2      GLN  11   3.678  16.427   6.815
   94    HG3  GLN  11           HG3      GLN  11   5.352  16.702   6.337
   95   HE21  GLN  11          HE21      GLN  11   5.130  17.979   4.609
   96   HE22  GLN  11          HE22      GLN  11   4.245  17.569   3.183
   97    H    ALA  12           H        ALA  12   6.874  12.004   6.547
   98    HA   ALA  12           HA       ALA  12   9.134  13.470   7.684
   99    HB1  ALA  12           HB1      ALA  12   7.634  11.801   8.977
  100    HB2  ALA  12           HB2      ALA  12   8.604  10.566   8.172
  101    HB3  ALA  12           HB3      ALA  12   9.381  11.753   9.218
  102    H    ALA  13           H        ALA  13   9.273  13.255   4.942
  103    HA   ALA  13           HA       ALA  13  10.541  11.045   3.860
  104    HB1  ALA  13           HB1      ALA  13  11.718  13.285   2.645
  105    HB2  ALA  13           HB2      ALA  13  10.331  12.354   2.081
  106    HB3  ALA  13           HB3      ALA  13  10.087  13.771   3.103
  107    H    ARG  14           H        ARG  14  12.280  10.039   4.625
  108    HA   ARG  14           HA       ARG  14  14.404  11.595   5.904
  109    HB2  ARG  14           HB2      ARG  14  13.541   9.676   7.148
  110    HB3  ARG  14           HB3      ARG  14  13.930   8.610   5.802
  111    HG2  ARG  14           HG2      ARG  14  16.284   8.992   6.114
  112    HG3  ARG  14           HG3      ARG  14  15.959  10.195   7.362
  113    HD2  ARG  14           HD2      ARG  14  14.640   7.692   7.946
  114    HD3  ARG  14           HD3      ARG  14  16.375   7.461   7.719
  115    HE   ARG  14           HE       ARG  14  15.984   9.668   9.394
  116   HH11  ARG  14          HH11      ARG  14  15.738   6.066  11.121
  117   HH12  ARG  14          HH12      ARG  14  15.535   6.216   9.408
  118   HH21  ARG  14          HH21      ARG  14  16.146   7.923  12.397
  119   HH22  ARG  14          HH22      ARG  14  16.254   9.483  11.652
  120    HN1  NH2  15           HN1      NH2  15  13.791   9.432   3.184
  121    HN2  NH2  15           HN2      NH2  15  15.328   9.641   2.410
  Start of MODEL    5
    1    H1   ACE   1           H1       ACE   1  -7.098   1.421   7.413
    2    H2   ACE   1           H2       ACE   1  -6.061   1.819   6.023
    3    H3   ACE   1           H3       ACE   1  -5.461   0.733   7.301
    4    H    ASP   2           H        ASP   2  -7.380   3.239   8.444
    5    HA   ASP   2           HA       ASP   2  -6.970   5.161   9.594
    6    HB2  ASP   2           HB2      ASP   2  -5.729   3.466  10.988
    7    HB3  ASP   2           HB3      ASP   2  -4.258   3.946  10.145
    8    HA   PRO   3           HA       PRO   3  -4.529   6.908   6.045
    9    HB2  PRO   3           HB2      PRO   3  -6.441   8.682   5.295
   10    HB3  PRO   3           HB3      PRO   3  -6.395   7.015   4.710
   11    HG2  PRO   3           HG2      PRO   3  -8.053   8.210   6.898
   12    HG3  PRO   3           HG3      PRO   3  -8.528   7.061   5.632
   13    HD2  PRO   3           HD2      PRO   3  -7.979   6.290   8.168
   14    HD3  PRO   3           HD3      PRO   3  -7.649   5.257   6.762
   15    H    GLN   4           H        GLN   4  -3.281   7.678   7.960
   16    HA   GLN   4           HA       GLN   4  -3.410  10.542   8.106
   17    HB2  GLN   4           HB2      GLN   4  -4.612   8.946  10.200
   18    HB3  GLN   4           HB3      GLN   4  -3.276   9.904  10.830
   19    HG2  GLN   4           HG2      GLN   4  -4.483  11.757  10.776
   20    HG3  GLN   4           HG3      GLN   4  -4.935  11.489   9.095
   21   HE21  GLN   4          HE21      GLN   4  -6.333  12.287  11.733
   22   HE22  GLN   4          HE22      GLN   4  -7.779  11.340  11.704
   23    H    HIS   5           H        HIS   5  -2.016   7.557   9.384
   24    HA   HIS   5           HA       HIS   5   0.457   8.823  10.132
   25    HB2  HIS   5           HB2      HIS   5  -0.783   6.514  10.900
   26    HB3  HIS   5           HB3      HIS   5   0.453   5.896   9.809
   27    HD1  HIS   5           HD1      HIS   5   2.977   6.677  10.426
   28    HD2  HIS   5           HD2      HIS   5   0.110   7.086  13.405
   29    HE1  HIS   5           HE1      HIS   5   4.267   6.915  12.572
   30    H    MK8   6           H2       MK8   6  -0.785   7.031   7.329
   31    HB   MK8   6           HB       MK8   6  -0.726   5.775   5.147
   32    HBA  MK8   6           HBA      MK8   6  -1.183   7.438   4.901
   33    HD   MK8   6           HD       MK8   6  -1.252   7.858   2.268
   34    HDA  MK8   6           HDA      MK8   6  -0.003   8.783   3.056
   35    HE   MK8   6           HE       MK8   6   0.325   7.044   0.520
   36    HG   MK8   6           HG       MK8   6   1.227   6.477   3.320
   37    HGA  MK8   6           HGA      MK8   6  -0.306   5.756   2.913
   38    HB1  MK8   6           HB1      MK8   6   2.460   6.017   4.984
   39   HB1A  MK8   6          HB1A      MK8   6   2.567   6.188   6.717
   40   HB1B  MK8   6          HB1B      MK8   6   1.406   5.065   6.039
   41    H    ARG   7           H        ARG   7  -0.430   9.312   5.880
   42    HA   ARG   7           HA       ARG   7   1.117  11.052   4.338
   43    HB2  ARG   7           HB2      ARG   7  -1.320  11.300   5.091
   44    HB3  ARG   7           HB3      ARG   7  -0.670  11.956   6.587
   45    HG2  ARG   7           HG2      ARG   7  -0.264  13.938   5.660
   46    HG3  ARG   7           HG3      ARG   7   0.470  13.212   4.230
   47    HD2  ARG   7           HD2      ARG   7  -1.800  12.731   3.366
   48    HD3  ARG   7           HD3      ARG   7  -2.475  13.579   4.756
   49    HE   ARG   7           HE       ARG   7  -0.605  15.144   3.230
   50   HH11  ARG   7          HH11      ARG   7  -4.560  15.544   2.732
   51   HH12  ARG   7          HH12      ARG   7  -3.928  14.160   3.563
   52   HH21  ARG   7          HH21      ARG   7  -3.133  17.142   1.921
   53   HH22  ARG   7          HH22      ARG   7  -1.422  16.971   2.135
   54    H    LYS   8           H        LYS   8   0.963  10.666   7.866
   55    HA   LYS   8           HA       LYS   8   2.733  12.689   8.581
   56    HB2  LYS   8           HB2      LYS   8   1.550  11.711  10.347
   57    HB3  LYS   8           HB3      LYS   8   1.974  10.077   9.855
   58    HG2  LYS   8           HG2      LYS   8   3.130  10.741  11.899
   59    HG3  LYS   8           HG3      LYS   8   4.263  10.426  10.582
   60    HD2  LYS   8           HD2      LYS   8   4.344  12.874  10.147
   61    HD3  LYS   8           HD3      LYS   8   3.333  13.121  11.573
   62    HE2  LYS   8           HE2      LYS   8   5.712  11.453  12.012
   63    HE3  LYS   8           HE3      LYS   8   6.051  13.127  11.579
   64    HZ1  LYS   8           HZ1      LYS   8   4.083  12.516  13.681
   65    HZ2  LYS   8           HZ2      LYS   8   5.003  13.917  13.456
   66    HZ3  LYS   8           HZ3      LYS   8   5.736  12.509  14.041
   67    H    LEU   9           H        LEU   9   3.411   9.276   7.848
   68    HA   LEU   9           HA       LEU   9   6.217   9.498   8.231
   69    HB2  LEU   9           HB2      LEU   9   4.320   7.473   7.295
   70    HB3  LEU   9           HB3      LEU   9   5.906   7.378   6.533
   71    HG   LEU   9           HG       LEU   9   5.732   7.529   9.508
   72   HD11  LEU   9          HD11      LEU   9   5.730   4.836   8.302
   73   HD12  LEU   9          HD12      LEU   9   4.191   5.696   8.304
   74   HD13  LEU   9          HD13      LEU   9   5.040   5.402   9.822
   75   HD21  LEU   9          HD21      LEU   9   7.817   6.496   9.450
   76   HD22  LEU   9          HD22      LEU   9   7.865   7.592   8.071
   77   HD23  LEU   9          HD23      LEU   9   7.572   5.870   7.820
   78    H    MK8  10           H2       MK8  10   4.112   9.797   5.313
   79    HB   MK8  10           HB       MK8  10   3.343  11.230   3.569
   80    HBA  MK8  10           HBA      MK8  10   4.333  11.545   2.171
   81    HD   MK8  10           HD       MK8  10   1.487  10.138   2.415
   82    HDA  MK8  10           HDA      MK8  10   2.253  10.673   0.948
   83    HE   MK8  10           HE       MK8  10   2.097   8.474  -0.108
   84    HG   MK8  10           HG       MK8  10   4.237   9.237   1.433
   85    HGA  MK8  10           HGA      MK8  10   3.493   8.699   2.931
   86    HB1  MK8  10           HB1      MK8  10   6.534  10.111   1.988
   87   HB1A  MK8  10          HB1A      MK8  10   7.423   9.759   3.459
   88   HB1B  MK8  10          HB1B      MK8  10   6.109   8.694   2.961
   89    H    GLN  11           H        GLN  11   4.523  12.361   5.350
   90    HA   GLN  11           HA       GLN  11   5.894  14.676   4.611
   91    HB2  GLN  11           HB2      GLN  11   3.808  14.199   6.224
   92    HB3  GLN  11           HB3      GLN  11   5.056  14.400   7.448
   93    HG2  GLN  11           HG2      GLN  11   4.859  16.439   5.301
   94    HG3  GLN  11           HG3      GLN  11   3.629  16.429   6.562
   95   HE21  GLN  11          HE21      GLN  11   5.930  18.255   5.845
   96   HE22  GLN  11          HE22      GLN  11   6.769  18.486   7.338
   97    H    ALA  12           H        ALA  12   6.881  12.014   6.555
   98    HA   ALA  12           HA       ALA  12   8.998  13.441   7.907
   99    HB1  ALA  12           HB1      ALA  12   7.780  11.503   8.914
  100    HB2  ALA  12           HB2      ALA  12   8.595  10.461   7.747
  101    HB3  ALA  12           HB3      ALA  12   9.539  11.358   8.937
  102    H    ALA  13           H        ALA  13   8.847  10.848   5.464
  103    HA   ALA  13           HA       ALA  13  10.324  10.168   3.868
  104    HB1  ALA  13           HB1      ALA  13  10.814  11.815   2.449
  105    HB2  ALA  13           HB2      ALA  13  10.079  12.905   3.628
  106    HB3  ALA  13           HB3      ALA  13  11.825  12.643   3.634
  107    H    ARG  14           H        ARG  14  12.919  10.667   3.286
  108    HA   ARG  14           HA       ARG  14  14.267   9.444   5.518
  109    HB2  ARG  14           HB2      ARG  14  15.384  10.321   2.848
  110    HB3  ARG  14           HB3      ARG  14  16.175   9.261   4.007
  111    HG2  ARG  14           HG2      ARG  14  14.085   7.768   3.701
  112    HG3  ARG  14           HG3      ARG  14  13.837   8.710   2.230
  113    HD2  ARG  14           HD2      ARG  14  16.583   7.789   2.553
  114    HD3  ARG  14           HD3      ARG  14  15.418   6.469   2.474
  115    HE   ARG  14           HE       ARG  14  16.178   8.245   0.344
  116   HH11  ARG  14          HH11      ARG  14  13.025   5.803  -0.006
  117   HH12  ARG  14          HH12      ARG  14  13.709   6.111   1.557
  118   HH21  ARG  14          HH21      ARG  14  13.923   6.789  -1.867
  119   HH22  ARG  14          HH22      ARG  14  15.286   7.848  -1.717
  120    HN1  NH2  15           HN1      NH2  15  15.225  10.513   7.114
  121    HN2  NH2  15           HN2      NH2  15  15.901  12.105   7.016
  Start of MODEL    6
    1    H1   ACE   1           H1       ACE   1  -7.072   1.138   7.886
    2    H2   ACE   1           H2       ACE   1  -5.968   1.516   6.542
    3    H3   ACE   1           H3       ACE   1  -5.491   0.328   7.782
    4    H    ASP   2           H        ASP   2  -4.357   2.926   6.814
    5    HA   ASP   2           HA       ASP   2  -4.531   4.642   9.145
    6    HB2  ASP   2           HB2      ASP   2  -1.989   4.575   9.391
    7    HB3  ASP   2           HB3      ASP   2  -2.883   3.193  10.014
    8    HA   PRO   3           HA       PRO   3  -3.762   6.747   5.058
    9    HB2  PRO   3           HB2      PRO   3  -5.848   8.471   5.276
   10    HB3  PRO   3           HB3      PRO   3  -6.007   6.855   4.579
   11    HG2  PRO   3           HG2      PRO   3  -6.686   7.803   7.335
   12    HG3  PRO   3           HG3      PRO   3  -7.602   6.728   6.265
   13    HD2  PRO   3           HD2      PRO   3  -6.080   5.802   8.305
   14    HD3  PRO   3           HD3      PRO   3  -6.313   4.891   6.798
   15    H    GLN   4           H        GLN   4  -4.295   7.791   8.343
   16    HA   GLN   4           HA       GLN   4  -3.365  10.475   7.932
   17    HB2  GLN   4           HB2      GLN   4  -3.602   8.961  10.535
   18    HB3  GLN   4           HB3      GLN   4  -3.515  10.706  10.332
   19    HG2  GLN   4           HG2      GLN   4  -5.680  10.018   8.792
   20    HG3  GLN   4           HG3      GLN   4  -5.797   8.914  10.159
   21   HE21  GLN   4          HE21      GLN   4  -6.103  12.150   9.075
   22   HE22  GLN   4          HE22      GLN   4  -6.642  12.834  10.565
   23    H    HIS   5           H        HIS   5  -2.020   7.722   9.762
   24    HA   HIS   5           HA       HIS   5   0.503   8.851  10.198
   25    HB2  HIS   5           HB2      HIS   5  -0.740   6.556  10.990
   26    HB3  HIS   5           HB3      HIS   5   0.455   5.921   9.864
   27    HD1  HIS   5           HD1      HIS   5   2.938   6.119  10.533
   28    HD2  HIS   5           HD2      HIS   5   0.300   7.654  13.351
   29    HE1  HIS   5           HE1      HIS   5   4.307   6.468  12.613
   30    H    MK8   6           H2       MK8   6  -0.767   6.978   7.399
   31    HB   MK8   6           HB       MK8   6  -0.690   5.777   5.147
   32    HBA  MK8   6           HBA      MK8   6  -1.179   7.438   4.939
   33    HD   MK8   6           HD       MK8   6  -1.355   7.747   2.329
   34    HDA  MK8   6           HDA      MK8   6  -0.181   8.810   3.068
   35    HE   MK8   6           HE       MK8   6   0.186   7.101   0.522
   36    HG   MK8   6           HG       MK8   6   1.283   6.681   3.378
   37    HGA  MK8   6           HGA      MK8   6  -0.142   5.760   2.966
   38    HB1  MK8   6           HB1      MK8   6   2.558   6.207   6.776
   39   HB1A  MK8   6          HB1A      MK8   6   1.406   5.096   6.078
   40   HB1B  MK8   6          HB1B      MK8   6   2.459   6.059   5.041
   41    H    ARG   7           H        ARG   7  -0.458   9.362   5.964
   42    HA   ARG   7           HA       ARG   7   1.074  11.092   4.399
   43    HB2  ARG   7           HB2      ARG   7  -1.345  11.360   5.199
   44    HB3  ARG   7           HB3      ARG   7  -0.660  12.006   6.684
   45    HG2  ARG   7           HG2      ARG   7  -1.203  13.864   5.349
   46    HG3  ARG   7           HG3      ARG   7   0.552  13.690   5.246
   47    HD2  ARG   7           HD2      ARG   7   0.409  13.559   3.037
   48    HD3  ARG   7           HD3      ARG   7  -0.602  12.122   3.184
   49    HE   ARG   7           HE       ARG   7  -2.443  13.404   2.710
   50   HH11  ARG   7          HH11      ARG   7  -0.568  16.931   2.978
   51   HH12  ARG   7          HH12      ARG   7   0.249  15.481   3.461
   52   HH21  ARG   7          HH21      ARG   7  -2.717  16.831   2.191
   53   HH22  ARG   7          HH22      ARG   7  -3.529  15.305   2.073
   54    H    LYS   8           H        LYS   8   0.983  10.695   7.929
   55    HA   LYS   8           HA       LYS   8   2.785  12.701   8.617
   56    HB2  LYS   8           HB2      LYS   8   1.625  11.727  10.402
   57    HB3  LYS   8           HB3      LYS   8   2.024  10.092   9.896
   58    HG2  LYS   8           HG2      LYS   8   3.226  10.735  11.919
   59    HG3  LYS   8           HG3      LYS   8   4.331  10.415  10.580
   60    HD2  LYS   8           HD2      LYS   8   4.427  12.864  10.154
   61    HD3  LYS   8           HD3      LYS   8   3.446  13.115  11.598
   62    HE2  LYS   8           HE2      LYS   8   5.929  11.491  11.823
   63    HE3  LYS   8           HE3      LYS   8   6.078  13.241  11.685
   64    HZ1  LYS   8           HZ1      LYS   8   5.891  13.062  13.920
   65    HZ2  LYS   8           HZ2      LYS   8   4.989  11.634  13.864
   66    HZ3  LYS   8           HZ3      LYS   8   4.241  13.119  13.559
   67    H    LEU   9           H        LEU   9   3.416   9.286   7.860
   68    HA   LEU   9           HA       LEU   9   6.231   9.478   8.191
   69    HB2  LEU   9           HB2      LEU   9   4.299   7.476   7.285
   70    HB3  LEU   9           HB3      LEU   9   5.869   7.366   6.493
   71    HG   LEU   9           HG       LEU   9   5.751   7.508   9.472
   72   HD11  LEU   9          HD11      LEU   9   4.096   5.775   8.588
   73   HD12  LEU   9          HD12      LEU   9   5.317   5.228   9.734
   74   HD13  LEU   9          HD13      LEU   9   5.514   4.897   8.015
   75   HD21  LEU   9          HD21      LEU   9   7.817   6.407   9.362
   76   HD22  LEU   9          HD22      LEU   9   7.867   7.576   8.043
   77   HD23  LEU   9          HD23      LEU   9   7.546   5.875   7.704
   78    H    MK8  10           H2       MK8  10   4.077   9.809   5.319
   79    HB   MK8  10           HB       MK8  10   3.267  11.233   3.595
   80    HBA  MK8  10           HBA      MK8  10   4.226  11.545   2.174
   81    HD   MK8  10           HD       MK8  10   1.382  10.128   2.492
   82    HDA  MK8  10           HDA      MK8  10   2.121  10.713   1.023
   83    HE   MK8  10           HE       MK8  10   1.953   8.542  -0.089
   84    HG   MK8  10           HG       MK8  10   4.111   9.249   1.428
   85    HGA  MK8  10           HGA      MK8  10   3.404   8.698   2.941
   86    HB1  MK8  10           HB1      MK8  10   6.043   8.706   2.936
   87   HB1A  MK8  10          HB1A      MK8  10   6.416  10.119   1.936
   88   HB1B  MK8  10          HB1B      MK8  10   7.355   9.800   3.384
   89    H    GLN  11           H        GLN  11   4.510  12.369   5.353
   90    HA   GLN  11           HA       GLN  11   5.914  14.667   4.595
   91    HB2  GLN  11           HB2      GLN  11   3.814  14.234   6.198
   92    HB3  GLN  11           HB3      GLN  11   5.058  14.410   7.429
   93    HG2  GLN  11           HG2      GLN  11   5.137  16.476   5.365
   94    HG3  GLN  11           HG3      GLN  11   3.643  16.448   6.301
   95   HE21  GLN  11          HE21      GLN  11   3.636  17.392   8.226
   96   HE22  GLN  11          HE22      GLN  11   5.034  17.934   9.085
   97    H    ALA  12           H        ALA  12   6.844  12.000   6.565
   98    HA   ALA  12           HA       ALA  12   8.978  13.394   7.920
   99    HB1  ALA  12           HB1      ALA  12   9.573  11.150   8.772
  100    HB2  ALA  12           HB2      ALA  12   7.888  11.578   9.069
  101    HB3  ALA  12           HB3      ALA  12   8.296  10.461   7.768
  102    H    ALA  13           H        ALA  13   8.925  10.640   5.646
  103    HA   ALA  13           HA       ALA  13  11.706  10.985   5.008
  104    HB1  ALA  13           HB1      ALA  13  11.122   8.769   4.886
  105    HB2  ALA  13           HB2      ALA  13   9.553   9.107   4.157
  106    HB3  ALA  13           HB3      ALA  13  11.019   9.232   3.186
  107    H    ARG  14           H        ARG  14  12.292  10.951   2.569
  108    HA   ARG  14           HA       ARG  14  11.397  13.426   1.468
  109    HB2  ARG  14           HB2      ARG  14  13.253  11.268   0.477
  110    HB3  ARG  14           HB3      ARG  14  12.862  12.681  -0.496
  111    HG2  ARG  14           HG2      ARG  14  14.726  13.486   0.483
  112    HG3  ARG  14           HG3      ARG  14  13.585  13.912   1.761
  113    HD2  ARG  14           HD2      ARG  14  14.492  12.454   3.199
  114    HD3  ARG  14           HD3      ARG  14  14.602  11.187   1.979
  115    HE   ARG  14           HE       ARG  14  16.574  13.076   1.425
  116   HH11  ARG  14          HH11      ARG  14  17.416  10.501   4.375
  117   HH12  ARG  14          HH12      ARG  14  15.768  10.773   3.907
  118   HH21  ARG  14          HH21      ARG  14  19.107  11.619   3.308
  119   HH22  ARG  14          HH22      ARG  14  18.747  12.731   2.032
  120    HN1  NH2  15           HN1      NH2  15  11.171  10.035   0.335
  121    HN2  NH2  15           HN2      NH2  15   9.793  10.279  -0.686
  Start of MODEL    7
    1    H1   ACE   1           H1       ACE   1  -3.502   0.661  10.222
    2    H2   ACE   1           H2       ACE   1  -2.610   0.998   8.719
    3    H3   ACE   1           H3       ACE   1  -2.434   2.083  10.117
    4    H    ASP   2           H        ASP   2  -3.769   3.714  10.359
    5    HA   ASP   2           HA       ASP   2  -6.225   3.811   8.759
    6    HB2  ASP   2           HB2      ASP   2  -5.349   5.055  11.315
    7    HB3  ASP   2           HB3      ASP   2  -6.448   5.987  10.302
    8    HA   PRO   3           HA       PRO   3  -4.758   6.897   6.010
    9    HB2  PRO   3           HB2      PRO   3  -6.912   8.531   5.756
   10    HB3  PRO   3           HB3      PRO   3  -6.849   6.907   5.057
   11    HG2  PRO   3           HG2      PRO   3  -8.145   7.828   7.593
   12    HG3  PRO   3           HG3      PRO   3  -8.764   6.713   6.359
   13    HD2  PRO   3           HD2      PRO   3  -7.681   5.855   8.689
   14    HD3  PRO   3           HD3      PRO   3  -7.545   4.935   7.176
   15    H    GLN   4           H        GLN   4  -3.227   7.678   7.694
   16    HA   GLN   4           HA       GLN   4  -3.379  10.487   7.959
   17    HB2  GLN   4           HB2      GLN   4  -4.983   9.729   9.767
   18    HB3  GLN   4           HB3      GLN   4  -3.600   9.017  10.587
   19    HG2  GLN   4           HG2      GLN   4  -3.645  11.016  11.643
   20    HG3  GLN   4           HG3      GLN   4  -2.626  11.455  10.273
   21   HE21  GLN   4          HE21      GLN   4  -3.185  13.604  10.305
   22   HE22  GLN   4          HE22      GLN   4  -4.751  14.173   9.853
   23    H    HIS   5           H        HIS   5  -2.027   7.652   9.649
   24    HA   HIS   5           HA       HIS   5   0.479   8.836  10.182
   25    HB2  HIS   5           HB2      HIS   5  -0.739   6.576  11.020
   26    HB3  HIS   5           HB3      HIS   5   0.381   5.896   9.844
   27    HD1  HIS   5           HD1      HIS   5   2.952   6.287  10.318
   28    HD2  HIS   5           HD2      HIS   5   0.390   7.379  13.402
   29    HE1  HIS   5           HE1      HIS   5   4.414   6.537  12.349
   30    H    MK8   6           H2       MK8   6  -0.792   7.041   7.388
   31    HB   MK8   6           HB       MK8   6  -0.749   5.805   5.178
   32    HBA  MK8   6           HBA      MK8   6  -1.208   7.472   4.961
   33    HD   MK8   6           HD       MK8   6  -1.345   7.839   2.318
   34    HDA  MK8   6           HDA      MK8   6  -0.128   8.832   3.084
   35    HE   MK8   6           HE       MK8   6   0.214   7.118   0.537
   36    HG   MK8   6           HG       MK8   6   1.217   6.607   3.366
   37    HGA  MK8   6           HGA      MK8   6  -0.269   5.788   2.960
   38    HB1  MK8   6           HB1      MK8   6   2.427   6.037   5.013
   39   HB1A  MK8   6          HB1A      MK8   6   2.545   6.198   6.747
   40   HB1B  MK8   6          HB1B      MK8   6   1.380   5.082   6.068
   41    H    ARG   7           H        ARG   7  -0.443   9.336   5.932
   42    HA   ARG   7           HA       ARG   7   1.097  11.070   4.380
   43    HB2  ARG   7           HB2      ARG   7  -1.328  11.333   5.154
   44    HB3  ARG   7           HB3      ARG   7  -0.665  11.975   6.650
   45    HG2  ARG   7           HG2      ARG   7   0.453  13.232   4.273
   46    HG3  ARG   7           HG3      ARG   7  -1.296  13.427   4.414
   47    HD2  ARG   7           HD2      ARG   7  -1.142  14.673   6.317
   48    HD3  ARG   7           HD3      ARG   7   0.341  13.879   6.847
   49    HE   ARG   7           HE       ARG   7   1.519  15.537   5.825
   50   HH11  ARG   7          HH11      ARG   7  -1.413  16.808   3.418
   51   HH12  ARG   7          HH12      ARG   7  -1.660  15.413   4.414
   52   HH21  ARG   7          HH21      ARG   7   0.586  17.923   3.475
   53   HH22  ARG   7          HH22      ARG   7   1.857  17.375   4.517
   54    H    LYS   8           H        LYS   8   0.974  10.684   7.912
   55    HA   LYS   8           HA       LYS   8   2.762  12.695   8.611
   56    HB2  LYS   8           HB2      LYS   8   1.599  11.727  10.391
   57    HB3  LYS   8           HB3      LYS   8   1.997  10.090   9.888
   58    HG2  LYS   8           HG2      LYS   8   3.177  10.778  11.931
   59    HG3  LYS   8           HG3      LYS   8   4.276  10.368  10.611
   60    HD2  LYS   8           HD2      LYS   8   5.163  12.416  10.616
   61    HD3  LYS   8           HD3      LYS   8   3.570  13.175  10.569
   62    HE2  LYS   8           HE2      LYS   8   4.878  13.803  12.568
   63    HE3  LYS   8           HE3      LYS   8   3.366  12.988  12.967
   64    HZ1  LYS   8           HZ1      LYS   8   5.372  12.245  14.244
   65    HZ2  LYS   8           HZ2      LYS   8   5.961  11.567  12.809
   66    HZ3  LYS   8           HZ3      LYS   8   4.512  11.008  13.476
   67    H    LEU   9           H        LEU   9   3.412   9.286   7.852
   68    HA   LEU   9           HA       LEU   9   6.223   9.488   8.212
   69    HB2  LEU   9           HB2      LEU   9   4.306   7.478   7.305
   70    HB3  LEU   9           HB3      LEU   9   5.872   7.377   6.503
   71    HG   LEU   9           HG       LEU   9   5.755   7.505   9.486
   72   HD11  LEU   9          HD11      LEU   9   4.909   5.464   9.766
   73   HD12  LEU   9          HD12      LEU   9   5.851   4.801   8.432
   74   HD13  LEU   9          HD13      LEU   9   4.311   5.599   8.113
   75   HD21  LEU   9          HD21      LEU   9   7.585   5.890   7.746
   76   HD22  LEU   9          HD22      LEU   9   7.848   6.488   9.382
   77   HD23  LEU   9          HD23      LEU   9   7.866   7.610   8.020
   78    H    MK8  10           H2       MK8  10   4.085   9.799   5.334
   79    HB   MK8  10           HB       MK8  10   3.278  11.275   3.598
   80    HBA  MK8  10           HBA      MK8  10   4.256  11.568   2.187
   81    HD   MK8  10           HD       MK8  10   1.379  10.184   2.462
   82    HDA  MK8  10           HDA      MK8  10   2.142  10.745   0.999
   83    HE   MK8  10           HE       MK8  10   1.958   8.569  -0.093
   84    HG   MK8  10           HG       MK8  10   4.108   9.270   1.445
   85    HGA  MK8  10           HGA      MK8  10   3.379   8.736   2.950
   86    HB1  MK8  10           HB1      MK8  10   6.448  10.126   1.974
   87   HB1A  MK8  10          HB1A      MK8  10   7.289   9.654   3.442
   88   HB1B  MK8  10          HB1B      MK8  10   5.933   8.699   2.892
   89    H    GLN  11           H        GLN  11   4.518  12.374   5.357
   90    HA   GLN  11           HA       GLN  11   5.901  14.681   4.614
   91    HB2  GLN  11           HB2      GLN  11   3.821  14.223   6.231
   92    HB3  GLN  11           HB3      GLN  11   5.072  14.396   7.454
   93    HG2  GLN  11           HG2      GLN  11   5.276  16.497   5.504
   94    HG3  GLN  11           HG3      GLN  11   3.645  16.423   6.172
   95   HE21  GLN  11          HE21      GLN  11   3.471  16.415   8.529
   96   HE22  GLN  11          HE22      GLN  11   4.623  17.314   9.451
   97    H    ALA  12           H        ALA  12   6.880  12.009   6.548
   98    HA   ALA  12           HA       ALA  12   9.333  13.460   7.305
   99    HB1  ALA  12           HB1      ALA  12   8.251  13.010   9.333
  100    HB2  ALA  12           HB2      ALA  12   7.772  11.392   8.820
  101    HB3  ALA  12           HB3      ALA  12   9.462  11.737   9.182
  102    H    ALA  13           H        ALA  13   9.866  12.669   5.032
  103    HA   ALA  13           HA       ALA  13  11.279  10.116   5.287
  104    HB1  ALA  13           HB1      ALA  13  10.585   9.733   2.805
  105    HB2  ALA  13           HB2      ALA  13   9.476   9.293   4.106
  106    HB3  ALA  13           HB3      ALA  13   9.238  10.797   3.213
  107    H    ARG  14           H        ARG  14  13.242  10.055   4.287
  108    HA   ARG  14           HA       ARG  14  14.099  12.543   2.974
  109    HB2  ARG  14           HB2      ARG  14  15.299  11.994   5.045
  110    HB3  ARG  14           HB3      ARG  14  15.756  10.436   4.371
  111    HG2  ARG  14           HG2      ARG  14  17.061  11.549   2.642
  112    HG3  ARG  14           HG3      ARG  14  16.585  13.121   3.290
  113    HD2  ARG  14           HD2      ARG  14  18.167  11.009   4.750
  114    HD3  ARG  14           HD3      ARG  14  18.821  12.484   4.042
  115    HE   ARG  14           HE       ARG  14  16.769  13.134   5.858
  116   HH11  ARG  14          HH11      ARG  14  20.444  12.573   7.340
  117   HH12  ARG  14          HH12      ARG  14  20.037  11.937   5.781
  118   HH21  ARG  14          HH21      ARG  14  18.882  13.732   8.552
  119   HH22  ARG  14          HH22      ARG  14  17.293  13.975   7.913
  120    HN1  NH2  15           HN1      NH2  15  15.109  12.521   0.996
  121    HN2  NH2  15           HN2      NH2  15  15.255  11.106   0.007
  Start of MODEL    8
    1    H1   ACE   1           H1       ACE   1  -4.041   0.988  11.641
    2    H2   ACE   1           H2       ACE   1  -3.375   2.448  12.410
    3    H3   ACE   1           H3       ACE   1  -4.848   1.691  13.063
    4    H    ASP   2           H        ASP   2  -3.668   4.132  11.215
    5    HA   ASP   2           HA       ASP   2  -6.064   4.330   9.534
    6    HB2  ASP   2           HB2      ASP   2  -5.206   6.177  11.700
    7    HB3  ASP   2           HB3      ASP   2  -5.819   6.911  10.222
    8    HA   PRO   3           HA       PRO   3  -3.404   5.761   6.359
    9    HB2  PRO   3           HB2      PRO   3  -4.922   7.641   5.120
   10    HB3  PRO   3           HB3      PRO   3  -5.253   5.907   5.003
   11    HG2  PRO   3           HG2      PRO   3  -6.536   7.970   6.755
   12    HG3  PRO   3           HG3      PRO   3  -7.292   6.656   5.834
   13    HD2  PRO   3           HD2      PRO   3  -6.825   6.486   8.496
   14    HD3  PRO   3           HD3      PRO   3  -6.773   5.070   7.423
   15    H    GLN   4           H        GLN   4  -4.613   8.032   8.676
   16    HA   GLN   4           HA       GLN   4  -3.392  10.392   7.879
   17    HB2  GLN   4           HB2      GLN   4  -4.616   9.360  10.263
   18    HB3  GLN   4           HB3      GLN   4  -3.170  10.265  10.691
   19    HG2  GLN   4           HG2      GLN   4  -4.446  11.857   8.814
   20    HG3  GLN   4           HG3      GLN   4  -5.750  11.212   9.813
   21   HE21  GLN   4          HE21      GLN   4  -4.932  11.150  12.261
   22   HE22  GLN   4          HE22      GLN   4  -4.371  12.683  12.827
   23    H    HIS   5           H        HIS   5  -2.040   7.599   9.517
   24    HA   HIS   5           HA       HIS   5   0.455   8.824  10.161
   25    HB2  HIS   5           HB2      HIS   5  -0.716   6.634  11.088
   26    HB3  HIS   5           HB3      HIS   5   0.226   5.869   9.814
   27    HD1  HIS   5           HD1      HIS   5   2.698   7.905  10.241
   28    HD2  HIS   5           HD2      HIS   5   0.861   5.530  13.110
   29    HE1  HIS   5           HE1      HIS   5   4.412   7.596  12.054
   30    H    MK8   6           H2       MK8   6  -0.802   7.107   7.288
   31    HB   MK8   6           HB       MK8   6  -0.629   5.799   5.021
   32    HBA  MK8   6           HBA      MK8   6  -0.988   7.472   4.693
   33    HD   MK8   6           HD       MK8   6  -1.130   7.196   2.041
   34    HDA  MK8   6           HDA      MK8   6  -0.290   8.571   2.728
   35    HE   MK8   6           HE       MK8   6   0.542   6.860   0.337
   36    HG   MK8   6           HG       MK8   6   1.557   6.888   3.403
   37    HGA  MK8   6           HGA      MK8   6   0.432   5.608   3.012
   38    HB1  MK8   6           HB1      MK8   6   2.549   6.168   6.844
   39   HB1A  MK8   6          HB1A      MK8   6   1.473   5.087   6.003
   40   HB1B  MK8   6          HB1B      MK8   6   2.601   6.101   5.103
   41    H    ARG   7           H        ARG   7  -0.454   9.328   5.908
   42    HA   ARG   7           HA       ARG   7   1.094  11.065   4.362
   43    HB2  ARG   7           HB2      ARG   7  -1.313  11.378   5.033
   44    HB3  ARG   7           HB3      ARG   7  -0.740  11.877   6.620
   45    HG2  ARG   7           HG2      ARG   7  -1.050  13.896   5.576
   46    HG3  ARG   7           HG3      ARG   7   0.665  13.602   5.277
   47    HD2  ARG   7           HD2      ARG   7  -0.323  12.415   3.115
   48    HD3  ARG   7           HD3      ARG   7  -1.636  13.551   3.402
   49    HE   ARG   7           HE       ARG   7   0.939  14.154   2.366
   50   HH11  ARG   7          HH11      ARG   7  -1.219  17.076   4.048
   51   HH12  ARG   7          HH12      ARG   7  -1.613  15.419   4.366
   52   HH21  ARG   7          HH21      ARG   7   0.537  17.594   2.668
   53   HH22  ARG   7          HH22      ARG   7   1.470  16.331   1.939
   54    H    LYS   8           H        LYS   8   0.958  10.676   7.892
   55    HA   LYS   8           HA       LYS   8   2.741  12.687   8.601
   56    HB2  LYS   8           HB2      LYS   8   1.572  11.716  10.376
   57    HB3  LYS   8           HB3      LYS   8   1.970  10.079   9.872
   58    HG2  LYS   8           HG2      LYS   8   3.144  10.766  11.920
   59    HG3  LYS   8           HG3      LYS   8   4.248  10.360  10.605
   60    HD2  LYS   8           HD2      LYS   8   5.147  12.397  10.643
   61    HD3  LYS   8           HD3      LYS   8   3.558  13.158  10.537
   62    HE2  LYS   8           HE2      LYS   8   3.286  12.869  12.967
   63    HE3  LYS   8           HE3      LYS   8   4.900  12.167  13.051
   64    HZ1  LYS   8           HZ1      LYS   8   5.009  14.465  13.657
   65    HZ2  LYS   8           HZ2      LYS   8   4.215  14.941  12.241
   66    HZ3  LYS   8           HZ3      LYS   8   5.769  14.279  12.158
   67    H    LEU   9           H        LEU   9   3.397   9.277   7.840
   68    HA   LEU   9           HA       LEU   9   6.208   9.483   8.212
   69    HB2  LEU   9           HB2      LEU   9   4.294   7.472   7.296
   70    HB3  LEU   9           HB3      LEU   9   5.862   7.373   6.499
   71    HG   LEU   9           HG       LEU   9   5.734   7.497   9.482
   72   HD11  LEU   9          HD11      LEU   9   5.878   4.790   8.565
   73   HD12  LEU   9          HD12      LEU   9   4.384   5.534   7.997
   74   HD13  LEU   9          HD13      LEU   9   4.762   5.521   9.721
   75   HD21  LEU   9          HD21      LEU   9   7.598   6.254   7.464
   76   HD22  LEU   9          HD22      LEU   9   7.752   6.064   9.211
   77   HD23  LEU   9          HD23      LEU   9   7.905   7.662   8.480
   78    H    MK8  10           H2       MK8  10   4.092   9.805   5.301
   79    HB   MK8  10           HB       MK8  10   3.306  11.191   3.559
   80    HBA  MK8  10           HBA      MK8  10   4.287  11.501   2.150
   81    HD   MK8  10           HD       MK8  10   1.459   9.835   2.526
   82    HDA  MK8  10           HDA      MK8  10   2.132  10.586   1.094
   83    HE   MK8  10           HE       MK8  10   2.257   8.422  -0.113
   84    HG   MK8  10           HG       MK8  10   4.238   9.201   1.436
   85    HGA  MK8  10           HGA      MK8  10   3.571   8.638   2.960
   86    HB1  MK8  10           HB1      MK8  10   7.420   9.805   3.446
   87   HB1A  MK8  10          HB1A      MK8  10   6.128   8.705   2.975
   88   HB1B  MK8  10          HB1B      MK8  10   6.513  10.119   1.977
   89    H    GLN  11           H        GLN  11   4.510  12.370   5.355
   90    HA   GLN  11           HA       GLN  11   5.890  14.682   4.617
   91    HB2  GLN  11           HB2      GLN  11   3.808  14.213   6.233
   92    HB3  GLN  11           HB3      GLN  11   5.061  14.394   7.457
   93    HG2  GLN  11           HG2      GLN  11   4.658  16.433   5.298
   94    HG3  GLN  11           HG3      GLN  11   3.732  16.463   6.798
   95   HE21  GLN  11          HE21      GLN  11   6.245  17.833   5.345
   96   HE22  GLN  11          HE22      GLN  11   7.247  18.202   6.703
   97    H    ALA  12           H        ALA  12   6.873  12.004   6.544
   98    HA   ALA  12           HA       ALA  12   8.862  13.260   8.110
   99    HB1  ALA  12           HB1      ALA  12   7.823  10.913   8.351
  100    HB2  ALA  12           HB2      ALA  12   9.063  10.416   7.199
  101    HB3  ALA  12           HB3      ALA  12   9.531  11.126   8.744
  102    H    ALA  13           H        ALA  13   8.963  11.667   4.945
  103    HA   ALA  13           HA       ALA  13  11.766  11.912   4.585
  104    HB1  ALA  13           HB1      ALA  13  10.282  10.327   3.355
  105    HB2  ALA  13           HB2      ALA  13   9.681  11.697   2.422
  106    HB3  ALA  13           HB3      ALA  13  11.381  11.243   2.324
  107    H    ARG  14           H        ARG  14  12.636  13.905   4.772
  108    HA   ARG  14           HA       ARG  14  11.982  15.847   2.719
  109    HB2  ARG  14           HB2      ARG  14  11.689  17.698   4.292
  110    HB3  ARG  14           HB3      ARG  14  10.462  16.464   4.540
  111    HG2  ARG  14           HG2      ARG  14  11.032  16.882   6.700
  112    HG3  ARG  14           HG3      ARG  14  12.185  15.597   6.336
  113    HD2  ARG  14           HD2      ARG  14  13.963  17.093   6.109
  114    HD3  ARG  14           HD3      ARG  14  12.890  18.479   5.906
  115    HE   ARG  14           HE       ARG  14  12.478  17.378   8.453
  116   HH11  ARG  14          HH11      ARG  14  15.584  19.872   8.044
  117   HH12  ARG  14          HH12      ARG  14  14.900  19.109   6.647
  118   HH21  ARG  14          HH21      ARG  14  14.713  19.453  10.122
  119   HH22  ARG  14          HH22      ARG  14  13.370  18.376  10.301
  120    HN1  NH2  15           HN1      NH2  15  13.447  17.963   3.335
  121    HN2  NH2  15           HN2      NH2  15  15.107  17.554   3.616
  Start of MODEL    9
    1    H1   ACE   1           H1       ACE   1  -3.337   0.912  12.045
    2    H2   ACE   1           H2       ACE   1  -2.243   2.315  12.074
    3    H3   ACE   1           H3       ACE   1  -3.512   2.150  13.311
    4    H    ASP   2           H        ASP   2  -3.319   4.439  11.932
    5    HA   ASP   2           HA       ASP   2  -5.758   4.369  10.301
    6    HB2  ASP   2           HB2      ASP   2  -4.577   6.322  12.184
    7    HB3  ASP   2           HB3      ASP   2  -5.355   7.007  10.759
    8    HA   PRO   3           HA       PRO   3  -3.730   5.566   6.601
    9    HB2  PRO   3           HB2      PRO   3  -5.469   7.356   5.529
   10    HB3  PRO   3           HB3      PRO   3  -5.796   5.620   5.596
   11    HG2  PRO   3           HG2      PRO   3  -6.765   7.802   7.403
   12    HG3  PRO   3           HG3      PRO   3  -7.661   6.427   6.729
   13    HD2  PRO   3           HD2      PRO   3  -6.718   6.446   9.266
   14    HD3  PRO   3           HD3      PRO   3  -6.845   4.959   8.305
   15    H    GLN   4           H        GLN   4  -4.529   7.998   8.934
   16    HA   GLN   4           HA       GLN   4  -3.366  10.241   7.687
   17    HB2  GLN   4           HB2      GLN   4  -4.446   9.571  10.289
   18    HB3  GLN   4           HB3      GLN   4  -3.012  10.580  10.439
   19    HG2  GLN   4           HG2      GLN   4  -5.361  11.254   8.684
   20    HG3  GLN   4           HG3      GLN   4  -5.171  11.821  10.343
   21   HE21  GLN   4          HE21      GLN   4  -2.839  12.746  10.693
   22   HE22  GLN   4          HE22      GLN   4  -2.347  13.906   9.511
   23    H    HIS   5           H        HIS   5  -2.034   7.688   9.709
   24    HA   HIS   5           HA       HIS   5   0.487   8.828  10.195
   25    HB2  HIS   5           HB2      HIS   5  -0.695   6.642  11.120
   26    HB3  HIS   5           HB3      HIS   5   0.240   5.876   9.840
   27    HD1  HIS   5           HD1      HIS   5   2.919   7.063   9.984
   28    HD2  HIS   5           HD2      HIS   5   0.685   6.367  13.416
   29    HE1  HIS   5           HE1      HIS   5   4.589   6.953  11.862
   30    H    MK8   6           H2       MK8   6  -0.811   7.107   7.341
   31    HB   MK8   6           HB       MK8   6  -0.703   5.841   5.056
   32    HBA  MK8   6           HBA      MK8   6  -1.053   7.526   4.789
   33    HD   MK8   6           HD       MK8   6  -1.283   7.420   2.159
   34    HDA  MK8   6           HDA      MK8   6  -0.345   8.713   2.866
   35    HE   MK8   6           HE       MK8   6   0.315   7.050   0.382
   36    HG   MK8   6           HG       MK8   6   1.441   6.923   3.393
   37    HGA  MK8   6           HGA      MK8   6   0.247   5.713   2.983
   38    HB1  MK8   6           HB1      MK8   6   1.406   5.088   6.059
   39   HB1A  MK8   6          HB1A      MK8   6   2.491   6.047   5.052
   40   HB1B  MK8   6          HB1B      MK8   6   2.553   6.185   6.791
   41    H    ARG   7           H        ARG   7  -0.457   9.343   5.939
   42    HA   ARG   7           HA       ARG   7   1.084  11.075   4.387
   43    HB2  ARG   7           HB2      ARG   7  -1.310  11.410   5.058
   44    HB3  ARG   7           HB3      ARG   7  -0.741  11.878   6.654
   45    HG2  ARG   7           HG2      ARG   7  -0.000  13.899   5.952
   46    HG3  ARG   7           HG3      ARG   7   0.418  13.310   4.342
   47    HD2  ARG   7           HD2      ARG   7  -2.453  13.317   5.033
   48    HD3  ARG   7           HD3      ARG   7  -1.692  14.895   4.839
   49    HE   ARG   7           HE       ARG   7  -2.383  13.081   2.773
   50   HH11  ARG   7          HH11      ARG   7   0.509  15.763   2.083
   51   HH12  ARG   7          HH12      ARG   7   0.049  15.387   3.711
   52   HH21  ARG   7          HH21      ARG   7  -0.535  14.726   0.328
   53   HH22  ARG   7          HH22      ARG   7  -1.787  13.564   0.626
   54    H    LYS   8           H        LYS   8   0.956  10.710   7.921
   55    HA   LYS   8           HA       LYS   8   2.757  12.706   8.617
   56    HB2  LYS   8           HB2      LYS   8   1.593  11.743  10.400
   57    HB3  LYS   8           HB3      LYS   8   1.984  10.103   9.894
   58    HG2  LYS   8           HG2      LYS   8   3.172  10.787  11.934
   59    HG3  LYS   8           HG3      LYS   8   4.266  10.373  10.614
   60    HD2  LYS   8           HD2      LYS   8   5.164  12.413  10.622
   61    HD3  LYS   8           HD3      LYS   8   3.576  13.181  10.567
   62    HE2  LYS   8           HE2      LYS   8   3.450  12.591  13.074
   63    HE3  LYS   8           HE3      LYS   8   5.194  12.357  12.956
   64    HZ1  LYS   8           HZ1      LYS   8   4.403  14.807  11.751
   65    HZ2  LYS   8           HZ2      LYS   8   5.517  14.536  12.993
   66    HZ3  LYS   8           HZ3      LYS   8   3.877  14.735  13.356
   67    H    LEU   9           H        LEU   9   3.395   9.293   7.856
   68    HA   LEU   9           HA       LEU   9   6.208   9.488   8.213
   69    HB2  LEU   9           HB2      LEU   9   4.283   7.483   7.308
   70    HB3  LEU   9           HB3      LEU   9   5.848   7.378   6.502
   71    HG   LEU   9           HG       LEU   9   5.735   7.506   9.484
   72   HD11  LEU   9          HD11      LEU   9   5.822   4.801   8.433
   73   HD12  LEU   9          HD12      LEU   9   4.285   5.602   8.112
   74   HD13  LEU   9          HD13      LEU   9   4.880   5.470   9.767
   75   HD21  LEU   9          HD21      LEU   9   7.559   5.922   7.699
   76   HD22  LEU   9          HD22      LEU   9   7.816   6.428   9.369
   77   HD23  LEU   9          HD23      LEU   9   7.853   7.622   8.070
   78    H    MK8  10           H2       MK8  10   4.066   9.819   5.345
   79    HB   MK8  10           HB       MK8  10   3.250  11.255   3.605
   80    HBA  MK8  10           HBA      MK8  10   4.219  11.564   2.194
   81    HD   MK8  10           HD       MK8  10   1.336  10.010   2.540
   82    HDA  MK8  10           HDA      MK8  10   2.033  10.738   1.109
   83    HE   MK8  10           HE       MK8  10   2.027   8.602  -0.121
   84    HG   MK8  10           HG       MK8  10   4.085   9.285   1.430
   85    HGA  MK8  10           HGA      MK8  10   3.403   8.714   2.948
   86    HB1  MK8  10           HB1      MK8  10   5.876   8.694   2.874
   87   HB1A  MK8  10          HB1A      MK8  10   6.476  10.114   2.002
   88   HB1B  MK8  10          HB1B      MK8  10   7.244   9.567   3.489
   89    H    GLN  11           H        GLN  11   4.514  12.384   5.362
   90    HA   GLN  11           HA       GLN  11   5.909  14.684   4.617
   91    HB2  GLN  11           HB2      GLN  11   3.888  14.087   6.396
   92    HB3  GLN  11           HB3      GLN  11   5.199  14.590   7.456
   93    HG2  GLN  11           HG2      GLN  11   3.696  16.434   6.823
   94    HG3  GLN  11           HG3      GLN  11   5.370  16.703   6.338
   95   HE21  GLN  11          HE21      GLN  11   2.698  14.873   4.896
   96   HE22  GLN  11          HE22      GLN  11   2.751  15.667   3.363
   97    H    ALA  12           H        ALA  12   6.881  12.003   6.542
   98    HA   ALA  12           HA       ALA  12   9.001  13.371   7.924
   99    HB1  ALA  12           HB1      ALA  12   9.250  11.475   9.116
  100    HB2  ALA  12           HB2      ALA  12   7.662  11.097   8.446
  101    HB3  ALA  12           HB3      ALA  12   9.115  10.435   7.696
  102    H    ALA  13           H        ALA  13   8.622  11.651   4.929
  103    HA   ALA  13           HA       ALA  13  11.281  10.955   4.404
  104    HB1  ALA  13           HB1      ALA  13  10.356  10.114   2.575
  105    HB2  ALA  13           HB2      ALA  13   8.831  10.883   3.023
  106    HB3  ALA  13           HB3      ALA  13   9.975  11.730   1.982
  107    H    ARG  14           H        ARG  14  12.839  12.452   4.768
  108    HA   ARG  14           HA       ARG  14  12.655  15.197   4.268
  109    HB2  ARG  14           HB2      ARG  14  15.113  13.439   4.342
  110    HB3  ARG  14           HB3      ARG  14  15.124  15.197   4.426
  111    HG2  ARG  14           HG2      ARG  14  13.857  13.341   6.434
  112    HG3  ARG  14           HG3      ARG  14  15.389  14.198   6.629
  113    HD2  ARG  14           HD2      ARG  14  12.654  15.436   6.330
  114    HD3  ARG  14           HD3      ARG  14  13.628  15.377   7.798
  115    HE   ARG  14           HE       ARG  14  13.901  17.217   5.616
  116   HH11  ARG  14          HH11      ARG  14  16.791  16.851   8.361
  117   HH12  ARG  14          HH12      ARG  14  15.573  15.629   8.223
  118   HH21  ARG  14          HH21      ARG  14  16.747  18.677   6.975
  119   HH22  ARG  14          HH22      ARG  14  15.498  18.835   5.788
  120    HN1  NH2  15           HN1      NH2  15  13.838  16.484   2.665
  121    HN2  NH2  15           HN2      NH2  15  13.957  15.901   1.038
  Start of MODEL   10
    1    H1   ACE   1           H1       ACE   1  -1.828   0.474  11.237
    2    H2   ACE   1           H2       ACE   1  -0.952   0.854   9.736
    3    H3   ACE   1           H3       ACE   1  -0.760   1.895  11.167
    4    H    ASP   2           H        ASP   2  -1.951   3.615  11.297
    5    HA   ASP   2           HA       ASP   2  -4.618   3.718  10.182
    6    HB2  ASP   2           HB2      ASP   2  -2.972   5.433  11.966
    7    HB3  ASP   2           HB3      ASP   2  -4.223   6.237  11.020
    8    HA   PRO   3           HA       PRO   3  -3.764   5.714   6.373
    9    HB2  PRO   3           HB2      PRO   3  -5.775   7.530   6.195
   10    HB3  PRO   3           HB3      PRO   3  -6.032   5.789   6.010
   11    HG2  PRO   3           HG2      PRO   3  -6.488   7.529   8.403
   12    HG3  PRO   3           HG3      PRO   3  -7.511   6.236   7.749
   13    HD2  PRO   3           HD2      PRO   3  -5.880   5.868   9.879
   14    HD3  PRO   3           HD3      PRO   3  -6.245   4.573   8.722
   15    H    GLN   4           H        GLN   4  -4.578   8.037   8.947
   16    HA   GLN   4           HA       GLN   4  -3.383  10.283   7.778
   17    HB2  GLN   4           HB2      GLN   4  -3.353  11.211  10.084
   18    HB3  GLN   4           HB3      GLN   4  -4.910  10.535   9.625
   19    HG2  GLN   4           HG2      GLN   4  -3.369   8.490  10.858
   20    HG3  GLN   4           HG3      GLN   4  -3.321   9.927  11.877
   21   HE21  GLN   4          HE21      GLN   4  -4.626   9.223  13.487
   22   HE22  GLN   4          HE22      GLN   4  -6.301   8.853  13.280
   23    H    HIS   5           H        HIS   5  -2.030   7.605   9.529
   24    HA   HIS   5           HA       HIS   5   0.464   8.830  10.158
   25    HB2  HIS   5           HB2      HIS   5  -0.697   6.646  11.097
   26    HB3  HIS   5           HB3      HIS   5   0.228   5.872   9.815
   27    HD1  HIS   5           HD1      HIS   5   2.822   7.565  10.058
   28    HD2  HIS   5           HD2      HIS   5   0.786   5.871  13.258
   29    HE1  HIS   5           HE1      HIS   5   4.527   7.332  11.893
   30    H    MK8   6           H2       MK8   6  -0.795   7.066   7.313
   31    HB   MK8   6           HB       MK8   6  -0.682   5.812   5.053
   32    HBA  MK8   6           HBA      MK8   6  -1.041   7.491   4.754
   33    HD   MK8   6           HD       MK8   6  -1.226   7.357   2.105
   34    HDA  MK8   6           HDA      MK8   6  -0.294   8.653   2.819
   35    HE   MK8   6           HE       MK8   6   0.413   6.952   0.371
   36    HG   MK8   6           HG       MK8   6   1.468   6.846   3.383
   37    HGA  MK8   6           HGA      MK8   6   0.260   5.648   2.984
   38    HB1  MK8   6           HB1      MK8   6   1.436   5.082   6.045
   39   HB1A  MK8   6          HB1A      MK8   6   2.528   6.047   5.054
   40   HB1B  MK8   6          HB1B      MK8   6   2.564   6.184   6.791
   41    H    ARG   7           H        ARG   7  -0.445   9.329   5.910
   42    HA   ARG   7           HA       ARG   7   1.098  11.065   4.363
   43    HB2  ARG   7           HB2      ARG   7  -1.317  11.357   5.064
   44    HB3  ARG   7           HB3      ARG   7  -0.715  11.908   6.622
   45    HG2  ARG   7           HG2      ARG   7   0.385  13.782   5.596
   46    HG3  ARG   7           HG3      ARG   7  -0.035  13.193   3.988
   47    HD2  ARG   7           HD2      ARG   7  -2.289  13.703   4.255
   48    HD3  ARG   7           HD3      ARG   7  -2.168  13.754   6.012
   49    HE   ARG   7           HE       ARG   7  -1.493  15.944   5.876
   50   HH11  ARG   7          HH11      ARG   7  -1.109  15.989   1.892
   51   HH12  ARG   7          HH12      ARG   7  -1.386  14.491   2.716
   52   HH21  ARG   7          HH21      ARG   7  -0.965  17.942   3.080
   53   HH22  ARG   7          HH22      ARG   7  -1.131  17.925   4.803
   54    H    LYS   8           H        LYS   8   0.965  10.673   7.891
   55    HA   LYS   8           HA       LYS   8   2.745  12.689   8.600
   56    HB2  LYS   8           HB2      LYS   8   1.570  11.714  10.372
   57    HB3  LYS   8           HB3      LYS   8   1.986  10.078   9.872
   58    HG2  LYS   8           HG2      LYS   8   3.156  10.733  11.912
   59    HG3  LYS   8           HG3      LYS   8   4.279  10.419  10.587
   60    HD2  LYS   8           HD2      LYS   8   4.988  12.404  11.741
   61    HD3  LYS   8           HD3      LYS   8   4.364  12.867  10.155
   62    HE2  LYS   8           HE2      LYS   8   2.593  13.973  11.029
   63    HE3  LYS   8           HE3      LYS   8   2.407  12.835  12.363
   64    HZ1  LYS   8           HZ1      LYS   8   3.471  14.234  13.685
   65    HZ2  LYS   8           HZ2      LYS   8   3.583  15.355  12.423
   66    HZ3  LYS   8           HZ3      LYS   8   4.827  14.236  12.671
   67    H    LEU   9           H        LEU   9   3.407   9.278   7.856
   68    HA   LEU   9           HA       LEU   9   6.215   9.487   8.223
   69    HB2  LEU   9           HB2      LEU   9   4.307   7.472   7.293
   70    HB3  LEU   9           HB3      LEU   9   5.888   7.370   6.523
   71    HG   LEU   9           HG       LEU   9   5.729   7.516   9.500
   72   HD11  LEU   9          HD11      LEU   9   5.667   4.841   8.221
   73   HD12  LEU   9          HD12      LEU   9   4.145   5.717   8.374
   74   HD13  LEU   9          HD13      LEU   9   5.102   5.351   9.809
   75   HD21  LEU   9          HD21      LEU   9   7.594   6.307   7.474
   76   HD22  LEU   9          HD22      LEU   9   7.705   5.972   9.201
   77   HD23  LEU   9          HD23      LEU   9   7.916   7.620   8.606
   78    H    MK8  10           H2       MK8  10   4.097   9.792   5.322
   79    HB   MK8  10           HB       MK8  10   3.283  11.196   3.593
   80    HBA  MK8  10           HBA      MK8  10   4.249  11.522   2.178
   81    HD   MK8  10           HD       MK8  10   1.418   9.913   2.534
   82    HDA  MK8  10           HDA      MK8  10   2.104  10.641   1.097
   83    HE   MK8  10           HE       MK8  10   2.152   8.480  -0.106
   84    HG   MK8  10           HG       MK8  10   4.182   9.233   1.433
   85    HGA  MK8  10           HGA      MK8  10   3.512   8.654   2.950
   86    HB1  MK8  10           HB1      MK8  10   6.471  10.123   1.968
   87   HB1A  MK8  10          HB1A      MK8  10   7.363   9.792   3.439
   88   HB1B  MK8  10          HB1B      MK8  10   6.072   8.703   2.957
   89    H    GLN  11           H        GLN  11   4.514  12.359   5.357
   90    HA   GLN  11           HA       GLN  11   5.891  14.672   4.614
   91    HB2  GLN  11           HB2      GLN  11   3.807  14.206   6.229
   92    HB3  GLN  11           HB3      GLN  11   5.058  14.389   7.452
   93    HG2  GLN  11           HG2      GLN  11   5.532  16.530   5.830
   94    HG3  GLN  11           HG3      GLN  11   3.776  16.388   5.758
   95   HE21  GLN  11          HE21      GLN  11   2.566  16.701   7.617
   96   HE22  GLN  11          HE22      GLN  11   3.220  17.438   9.034
   97    H    ALA  12           H        ALA  12   6.877  12.003   6.547
   98    HA   ALA  12           HA       ALA  12   9.025  13.437   7.864
   99    HB1  ALA  12           HB1      ALA  12   8.598  10.459   7.805
  100    HB2  ALA  12           HB2      ALA  12   9.509  11.405   8.984
  101    HB3  ALA  12           HB3      ALA  12   7.751  11.535   8.915
  102    H    ALA  13           H        ALA  13   8.657  11.049   5.276
  103    HA   ALA  13           HA       ALA  13  11.523  11.216   4.699
  104    HB1  ALA  13           HB1      ALA  13  10.506   8.983   4.851
  105    HB2  ALA  13           HB2      ALA  13   9.439   9.392   3.508
  106    HB3  ALA  13           HB3      ALA  13  11.182   9.300   3.252
  107    H    ARG  14           H        ARG  14  11.562  13.313   3.802
  108    HA   ARG  14           HA       ARG  14  10.373  13.474   1.111
  109    HB2  ARG  14           HB2      ARG  14   9.730  15.102   3.262
  110    HB3  ARG  14           HB3      ARG  14  10.889  16.061   2.352
  111    HG2  ARG  14           HG2      ARG  14   9.519  15.766   0.331
  112    HG3  ARG  14           HG3      ARG  14   8.341  14.861   1.286
  113    HD2  ARG  14           HD2      ARG  14   7.447  17.003   1.253
  114    HD3  ARG  14           HD3      ARG  14   8.298  16.955   2.795
  115    HE   ARG  14           HE       ARG  14  10.005  17.956   0.784
  116   HH11  ARG  14          HH11      ARG  14   7.572  20.544   2.634
  117   HH12  ARG  14          HH12      ARG  14   7.230  18.845   2.689
  118   HH21  ARG  14          HH21      ARG  14   9.414  21.305   1.504
  119   HH22  ARG  14          HH22      ARG  14  10.467  20.189   0.705
  120    HN1  NH2  15           HN1      NH2  15  12.071  13.075  -0.198
  121    HN2  NH2  15           HN2      NH2  15  13.588  13.907  -0.138
  Start of MODEL   11
    1    H1   ACE   1           H1       ACE   1  -2.135  -0.205   7.992
    2    H2   ACE   1           H2       ACE   1  -1.148   1.001   8.853
    3    H3   ACE   1           H3       ACE   1  -1.973  -0.289   9.763
    4    H    ASP   2           H        ASP   2  -2.204   2.445  10.283
    5    HA   ASP   2           HA       ASP   2  -5.070   2.814   9.752
    6    HB2  ASP   2           HB2      ASP   2  -3.298   3.472  12.053
    7    HB3  ASP   2           HB3      ASP   2  -4.665   4.536  11.740
    8    HA   PRO   3           HA       PRO   3  -4.469   6.513   7.473
    9    HB2  PRO   3           HB2      PRO   3  -6.486   8.094   8.371
   10    HB3  PRO   3           HB3      PRO   3  -6.756   6.688   7.334
   11    HG2  PRO   3           HG2      PRO   3  -7.048   6.935  10.303
   12    HG3  PRO   3           HG3      PRO   3  -8.115   6.129   9.136
   13    HD2  PRO   3           HD2      PRO   3  -6.346   4.773  10.673
   14    HD3  PRO   3           HD3      PRO   3  -6.790   4.245   9.038
   15    H    GLN   4           H        GLN   4  -4.243   8.942   7.688
   16    HA   GLN   4           HA       GLN   4  -3.122  10.728   8.539
   17    HB2  GLN   4           HB2      GLN   4  -5.025  10.118  10.373
   18    HB3  GLN   4           HB3      GLN   4  -3.574   9.981  11.360
   19    HG2  GLN   4           HG2      GLN   4  -3.619  12.171  11.629
   20    HG3  GLN   4           HG3      GLN   4  -3.275  12.349   9.908
   21   HE21  GLN   4          HE21      GLN   4  -5.408  13.064  12.352
   22   HE22  GLN   4          HE22      GLN   4  -6.770  13.529  11.398
   23    H    HIS   5           H        HIS   5  -1.849   7.988   8.354
   24    HA   HIS   5           HA       HIS   5   0.504   8.620  10.006
   25    HB2  HIS   5           HB2      HIS   5  -1.064   6.514  10.579
   26    HB3  HIS   5           HB3      HIS   5  -0.018   5.766   9.372
   27    HD1  HIS   5           HD1      HIS   5   2.431   5.363  10.012
   28    HD2  HIS   5           HD2      HIS   5   0.208   7.228  12.987
   29    HE1  HIS   5           HE1      HIS   5   3.861   5.268  12.081
   30    H    MK8   6           H2       MK8   6  -0.709   6.871   7.099
   31    HB   MK8   6           HB       MK8   6  -0.553   5.637   4.913
   32    HBA  MK8   6           HBA      MK8   6  -1.037   7.287   4.634
   33    HD   MK8   6           HD       MK8   6  -1.002   7.700   1.998
   34    HDA  MK8   6           HDA      MK8   6   0.196   8.648   2.834
   35    HE   MK8   6           HE       MK8   6   0.660   6.906   0.321
   36    HG   MK8   6           HG       MK8   6   1.451   6.355   3.155
   37    HGA  MK8   6           HGA      MK8   6  -0.056   5.621   2.692
   38    HB1  MK8   6           HB1      MK8   6   2.635   5.958   4.879
   39   HB1A  MK8   6          HB1A      MK8   6   2.663   6.134   6.614
   40   HB1B  MK8   6          HB1B      MK8   6   1.560   4.987   5.891
   41    H    ARG   7           H        ARG   7  -0.362   9.192   5.667
   42    HA   ARG   7           HA       ARG   7   1.195  10.954   4.147
   43    HB2  ARG   7           HB2      ARG   7  -1.316  11.028   5.170
   44    HB3  ARG   7           HB3      ARG   7  -0.500  12.156   6.246
   45    HG2  ARG   7           HG2      ARG   7   0.368  13.260   4.096
   46    HG3  ARG   7           HG3      ARG   7  -0.898  12.337   3.287
   47    HD2  ARG   7           HD2      ARG   7  -2.259  13.416   5.385
   48    HD3  ARG   7           HD3      ARG   7  -1.093  14.688   5.026
   49    HE   ARG   7           HE       ARG   7  -2.263  13.848   2.625
   50   HH11  ARG   7          HH11      ARG   7  -4.365  16.454   4.821
   51   HH12  ARG   7          HH12      ARG   7  -3.117  15.511   5.564
   52   HH21  ARG   7          HH21      ARG   7  -4.814  16.209   2.586
   53   HH22  ARG   7          HH22      ARG   7  -3.903  15.085   1.637
   54    H    LYS   8           H        LYS   8   0.906  10.606   7.672
   55    HA   LYS   8           HA       LYS   8   2.605  12.673   8.427
   56    HB2  LYS   8           HB2      LYS   8   1.369  11.713  10.161
   57    HB3  LYS   8           HB3      LYS   8   1.827  10.077   9.712
   58    HG2  LYS   8           HG2      LYS   8   2.881  10.828  11.801
   59    HG3  LYS   8           HG3      LYS   8   4.058  10.420  10.552
   60    HD2  LYS   8           HD2      LYS   8   4.874  12.502  10.507
   61    HD3  LYS   8           HD3      LYS   8   3.263  13.218  10.470
   62    HE2  LYS   8           HE2      LYS   8   4.065  13.993  12.485
   63    HE3  LYS   8           HE3      LYS   8   3.208  12.534  12.985
   64    HZ1  LYS   8           HZ1      LYS   8   6.130  12.881  12.633
   65    HZ2  LYS   8           HZ2      LYS   8   5.398  11.367  12.820
   66    HZ3  LYS   8           HZ3      LYS   8   5.296  12.515  14.057
   67    H    LEU   9           H        LEU   9   3.370   9.261   7.797
   68    HA   LEU   9           HA       LEU   9   6.152   9.534   8.295
   69    HB2  LEU   9           HB2      LEU   9   4.330   7.465   7.327
   70    HB3  LEU   9           HB3      LEU   9   5.938   7.381   6.610
   71    HG   LEU   9           HG       LEU   9   5.660   7.566   9.579
   72   HD11  LEU   9          HD11      LEU   9   4.643   5.607   9.774
   73   HD12  LEU   9          HD12      LEU   9   5.914   4.845   8.821
   74   HD13  LEU   9          HD13      LEU   9   4.486   5.504   8.022
   75   HD21  LEU   9          HD21      LEU   9   7.677   6.620   7.595
   76   HD22  LEU   9          HD22      LEU   9   7.675   5.942   9.221
   77   HD23  LEU   9          HD23      LEU   9   7.880   7.678   8.992
   78    H    MK8  10           H2       MK8  10   4.179   9.742   5.276
   79    HB   MK8  10           HB       MK8  10   3.464  11.144   3.487
   80    HBA  MK8  10           HBA      MK8  10   4.515  11.476   2.135
   81    HD   MK8  10           HD       MK8  10   1.685  10.028   2.249
   82    HDA  MK8  10           HDA      MK8  10   2.510  10.568   0.812
   83    HE   MK8  10           HE       MK8  10   2.430   8.363  -0.237
   84    HG   MK8  10           HG       MK8  10   4.494   9.171   1.390
   85    HGA  MK8  10           HGA      MK8  10   3.691   8.614   2.852
   86    HB1  MK8  10           HB1      MK8  10   7.565   9.720   3.578
   87   HB1A  MK8  10          HB1A      MK8  10   6.284   8.647   3.022
   88   HB1B  MK8  10          HB1B      MK8  10   6.746  10.061   2.063
   89    H    GLN  11           H        GLN  11   4.538  12.319   5.291
   90    HA   GLN  11           HA       GLN  11   5.914  14.644   4.574
   91    HB2  GLN  11           HB2      GLN  11   3.742  14.160   6.075
   92    HB3  GLN  11           HB3      GLN  11   4.913  14.428   7.359
   93    HG2  GLN  11           HG2      GLN  11   5.309  16.489   5.499
   94    HG3  GLN  11           HG3      GLN  11   3.565  16.332   5.705
   95   HE21  GLN  11          HE21      GLN  11   3.075  15.849   8.187
   96   HE22  GLN  11          HE22      GLN  11   3.763  17.015   9.259
   97    H    ALA  12           H        ALA  12   6.814  12.039   6.637
   98    HA   ALA  12           HA       ALA  12   8.796  13.505   8.126
   99    HB1  ALA  12           HB1      ALA  12   9.239  11.518   9.250
  100    HB2  ALA  12           HB2      ALA  12   7.525  11.389   8.855
  101    HB3  ALA  12           HB3      ALA  12   8.721  10.519   7.892
  102    H    ALA  13           H        ALA  13   8.705  11.543   5.228
  103    HA   ALA  13           HA       ALA  13  10.259  11.071   3.631
  104    HB1  ALA  13           HB1      ALA  13  10.980  13.736   4.642
  105    HB2  ALA  13           HB2      ALA  13  12.250  12.892   3.753
  106    HB3  ALA  13           HB3      ALA  13  10.685  13.185   2.993
  107    H    ARG  14           H        ARG  14  11.003   9.117   4.433
  108    HA   ARG  14           HA       ARG  14  12.507   7.612   5.235
  109    HB2  ARG  14           HB2      ARG  14  13.959   9.291   3.787
  110    HB3  ARG  14           HB3      ARG  14  14.650   9.681   5.355
  111    HG2  ARG  14           HG2      ARG  14  16.051   8.034   4.475
  112    HG3  ARG  14           HG3      ARG  14  15.028   7.178   5.629
  113    HD2  ARG  14           HD2      ARG  14  14.004   7.318   2.870
  114    HD3  ARG  14           HD3      ARG  14  15.470   6.362   3.091
  115    HE   ARG  14           HE       ARG  14  12.823   5.699   3.973
  116   HH11  ARG  14          HH11      ARG  14  16.005   3.724   5.387
  117   HH12  ARG  14          HH12      ARG  14  16.221   5.244   4.583
  118   HH21  ARG  14          HH21      ARG  14  13.905   2.847   5.640
  119   HH22  ARG  14          HH22      ARG  14  12.526   3.700   5.031
  120    HN1  NH2  15           HN1      NH2  15  10.978   9.348   7.090
  121    HN2  NH2  15           HN2      NH2  15  11.838   9.310   8.593
  Start of MODEL   12
    1    H1   ACE   1           H1       ACE   1  -4.719   0.325   9.168
    2    H2   ACE   1           H2       ACE   1  -5.961   1.065  10.209
    3    H3   ACE   1           H3       ACE   1  -5.987   1.353   8.452
    4    H    ASP   2           H        ASP   2  -5.955   3.308  10.500
    5    HA   ASP   2           HA       ASP   2  -5.001   5.334  10.909
    6    HB2  ASP   2           HB2      ASP   2  -2.400   3.792  10.878
    7    HB3  ASP   2           HB3      ASP   2  -2.707   5.332  11.675
    8    HA   PRO   3           HA       PRO   3  -3.842   5.796   6.432
    9    HB2  PRO   3           HB2      PRO   3  -5.745   7.652   5.885
   10    HB3  PRO   3           HB3      PRO   3  -6.044   5.913   5.788
   11    HG2  PRO   3           HG2      PRO   3  -6.719   7.832   7.985
   12    HG3  PRO   3           HG3      PRO   3  -7.704   6.526   7.299
   13    HD2  PRO   3           HD2      PRO   3  -6.358   6.263   9.634
   14    HD3  PRO   3           HD3      PRO   3  -6.630   4.899   8.528
   15    H    GLN   4           H        GLN   4  -4.634   8.150   8.941
   16    HA   GLN   4           HA       GLN   4  -3.397  10.384   7.751
   17    HB2  GLN   4           HB2      GLN   4  -3.567  11.439   9.892
   18    HB3  GLN   4           HB3      GLN   4  -5.005  10.447   9.673
   19    HG2  GLN   4           HG2      GLN   4  -3.418   8.688  10.939
   20    HG3  GLN   4           HG3      GLN   4  -2.803  10.199  11.611
   21   HE21  GLN   4          HE21      GLN   4  -3.889   8.569  13.361
   22   HE22  GLN   4          HE22      GLN   4  -5.459   9.092  13.849
   23    H    HIS   5           H        HIS   5  -2.144   7.681   9.539
   24    HA   HIS   5           HA       HIS   5   0.376   8.861  10.187
   25    HB2  HIS   5           HB2      HIS   5  -0.887   6.718  11.149
   26    HB3  HIS   5           HB3      HIS   5   0.102   5.904   9.943
   27    HD1  HIS   5           HD1      HIS   5   2.743   7.350  10.205
   28    HD2  HIS   5           HD2      HIS   5   0.421   6.257  13.473
   29    HE1  HIS   5           HE1      HIS   5   4.333   7.234  12.151
   30    H    MK8   6           H2       MK8   6  -0.886   7.027   7.379
   31    HB   MK8   6           HB       MK8   6  -0.705   5.646   5.196
   32    HBA  MK8   6           HBA      MK8   6  -1.146   7.298   4.878
   33    HD   MK8   6           HD       MK8   6  -1.075   7.802   2.354
   34    HDA  MK8   6           HDA      MK8   6   0.232   8.651   3.144
   35    HE   MK8   6           HE       MK8   6   0.539   6.838   0.657
   36    HG   MK8   6           HG       MK8   6   1.317   6.279   3.435
   37    HGA  MK8   6           HGA      MK8   6  -0.236   5.647   2.961
   38    HB1  MK8   6           HB1      MK8   6   1.349   4.974   6.257
   39   HB1A  MK8   6          HB1A      MK8   6   2.431   5.867   5.185
   40   HB1B  MK8   6          HB1B      MK8   6   2.510   6.113   6.906
   41    H    ARG   7           H        ARG   7  -0.449   9.251   5.937
   42    HA   ARG   7           HA       ARG   7   1.182  10.881   4.356
   43    HB2  ARG   7           HB2      ARG   7  -1.232  11.286   4.981
   44    HB3  ARG   7           HB3      ARG   7  -0.658  11.843   6.546
   45    HG2  ARG   7           HG2      ARG   7   0.630  13.608   5.438
   46    HG3  ARG   7           HG3      ARG   7   0.020  13.059   3.877
   47    HD2  ARG   7           HD2      ARG   7  -2.074  13.546   5.855
   48    HD3  ARG   7           HD3      ARG   7  -1.130  14.981   5.456
   49    HE   ARG   7           HE       ARG   7  -2.017  13.505   3.155
   50   HH11  ARG   7          HH11      ARG   7  -4.018  16.720   4.455
   51   HH12  ARG   7          HH12      ARG   7  -2.858  15.951   5.486
   52   HH21  ARG   7          HH21      ARG   7  -4.408  15.898   2.352
   53   HH22  ARG   7          HH22      ARG   7  -3.542  14.510   1.788
   54    H    LYS   8           H        LYS   8   0.967  10.596   7.889
   55    HA   LYS   8           HA       LYS   8   2.735  12.575   8.639
   56    HB2  LYS   8           HB2      LYS   8   1.605  11.529  10.394
   57    HB3  LYS   8           HB3      LYS   8   2.034   9.917   9.838
   58    HG2  LYS   8           HG2      LYS   8   3.207  10.564  11.898
   59    HG3  LYS   8           HG3      LYS   8   4.311  10.221  10.563
   60    HD2  LYS   8           HD2      LYS   8   5.140  12.294  10.604
   61    HD3  LYS   8           HD3      LYS   8   3.530  13.015  10.642
   62    HE2  LYS   8           HE2      LYS   8   3.462  13.064  12.940
   63    HE3  LYS   8           HE3      LYS   8   4.605  11.733  13.110
   64    HZ1  LYS   8           HZ1      LYS   8   6.396  13.113  12.792
   65    HZ2  LYS   8           HZ2      LYS   8   5.351  14.132  13.644
   66    HZ3  LYS   8           HZ3      LYS   8   5.504  14.290  11.967
   67    H    LEU   9           H        LEU   9   3.469   9.222   7.738
   68    HA   LEU   9           HA       LEU   9   6.280   9.484   8.116
   69    HB2  LEU   9           HB2      LEU   9   4.415   7.451   7.154
   70    HB3  LEU   9           HB3      LEU   9   5.977   7.417   6.341
   71    HG   LEU   9           HG       LEU   9   5.869   7.448   9.328
   72   HD11  LEU   9          HD11      LEU   9   5.117   5.358   9.549
   73   HD12  LEU   9          HD12      LEU   9   6.032   4.789   8.153
   74   HD13  LEU   9          HD13      LEU   9   4.462   5.555   7.923
   75   HD21  LEU   9          HD21      LEU   9   8.050   7.622   8.617
   76   HD22  LEU   9          HD22      LEU   9   7.777   6.626   7.185
   77   HD23  LEU   9          HD23      LEU   9   7.877   5.873   8.778
   78    H    MK8  10           H2       MK8  10   4.134   9.865   5.232
   79    HB   MK8  10           HB       MK8  10   3.342  11.355   3.463
   80    HBA  MK8  10           HBA      MK8  10   4.343  11.576   2.052
   81    HD   MK8  10           HD       MK8  10   1.496  10.158   2.291
   82    HDA  MK8  10           HDA      MK8  10   2.326  10.580   0.817
   83    HE   MK8  10           HE       MK8  10   2.204   8.334  -0.084
   84    HG   MK8  10           HG       MK8  10   4.285   9.194   1.506
   85    HGA  MK8  10           HGA      MK8  10   3.488   8.796   3.018
   86    HB1  MK8  10           HB1      MK8  10   7.460   9.980   3.376
   87   HB1A  MK8  10          HB1A      MK8  10   6.192   8.875   2.865
   88   HB1B  MK8  10          HB1B      MK8  10   6.555  10.325   1.913
   89    H    GLN  11           H        GLN  11   4.522  12.452   5.354
   90    HA   GLN  11           HA       GLN  11   5.900  14.784   4.686
   91    HB2  GLN  11           HB2      GLN  11   3.838  14.225   6.332
   92    HB3  GLN  11           HB3      GLN  11   5.110  14.458   7.521
   93    HG2  GLN  11           HG2      GLN  11   5.044  16.527   5.468
   94    HG3  GLN  11           HG3      GLN  11   3.564  16.426   6.422
   95   HE21  GLN  11          HE21      GLN  11   6.832  17.392   6.349
   96   HE22  GLN  11          HE22      GLN  11   6.933  17.987   7.970
   97    H    ALA  12           H        ALA  12   6.885  12.055   6.542
   98    HA   ALA  12           HA       ALA  12   8.964  13.370   8.012
   99    HB1  ALA  12           HB1      ALA  12   7.810  11.221   8.673
  100    HB2  ALA  12           HB2      ALA  12   8.781  10.423   7.438
  101    HB3  ALA  12           HB3      ALA  12   9.569  11.221   8.796
  102    H    ALA  13           H        ALA  13   8.759  11.601   4.976
  103    HA   ALA  13           HA       ALA  13  11.475  12.517   4.338
  104    HB1  ALA  13           HB1      ALA  13  10.559   9.818   3.429
  105    HB2  ALA  13           HB2      ALA  13  12.198  10.452   3.574
  106    HB3  ALA  13           HB3      ALA  13  11.284  10.029   5.023
  107    H    ARG  14           H        ARG  14  11.373  13.782   2.610
  108    HA   ARG  14           HA       ARG  14  10.721  14.715   0.640
  109    HB2  ARG  14           HB2      ARG  14  11.461  12.389  -0.093
  110    HB3  ARG  14           HB3      ARG  14   9.756  11.966  -0.131
  111    HG2  ARG  14           HG2      ARG  14   9.555  14.062  -1.667
  112    HG3  ARG  14           HG3      ARG  14  11.287  13.812  -1.898
  113    HD2  ARG  14           HD2      ARG  14   9.873  11.318  -2.120
  114    HD3  ARG  14           HD3      ARG  14   9.174  12.514  -3.209
  115    HE   ARG  14           HE       ARG  14  11.988  12.544  -3.419
  116   HH11  ARG  14          HH11      ARG  14   9.968   9.902  -5.650
  117   HH12  ARG  14          HH12      ARG  14   9.214  10.615  -4.262
  118   HH21  ARG  14          HH21      ARG  14  12.120  10.469  -6.205
  119   HH22  ARG  14          HH22      ARG  14  12.991  11.611  -5.243
  120    HN1  NH2  15           HN1      NH2  15   9.064  15.918   1.762
  121    HN2  NH2  15           HN2      NH2  15   7.391  15.568   1.479
  Start of MODEL   13
    1    H1   ACE   1           H1       ACE   1  -4.131   0.743  11.359
    2    H2   ACE   1           H2       ACE   1  -2.883   2.011  11.351
    3    H3   ACE   1           H3       ACE   1  -4.025   1.895  12.712
    4    H    ASP   2           H        ASP   2  -3.327   3.946  10.574
    5    HA   ASP   2           HA       ASP   2  -5.923   4.296   9.290
    6    HB2  ASP   2           HB2      ASP   2  -4.855   5.981  11.495
    7    HB3  ASP   2           HB3      ASP   2  -5.636   6.815  10.155
    8    HA   PRO   3           HA       PRO   3  -3.617   6.028   5.984
    9    HB2  PRO   3           HB2      PRO   3  -5.272   7.977   5.069
   10    HB3  PRO   3           HB3      PRO   3  -5.598   6.252   4.844
   11    HG2  PRO   3           HG2      PRO   3  -6.709   8.142   6.885
   12    HG3  PRO   3           HG3      PRO   3  -7.547   6.897   5.938
   13    HD2  PRO   3           HD2      PRO   3  -6.803   6.517   8.514
   14    HD3  PRO   3           HD3      PRO   3  -6.853   5.196   7.329
   15    H    GLN   4           H        GLN   4  -4.616   8.095   8.583
   16    HA   GLN   4           HA       GLN   4  -3.387  10.495   7.805
   17    HB2  GLN   4           HB2      GLN   4  -4.955   9.816   9.865
   18    HB3  GLN   4           HB3      GLN   4  -3.400   9.769  10.685
   19    HG2  GLN   4           HG2      GLN   4  -3.932  11.932  11.062
   20    HG3  GLN   4           HG3      GLN   4  -3.124  12.122   9.506
   21   HE21  GLN   4          HE21      GLN   4  -6.358  11.297  10.728
   22   HE22  GLN   4          HE22      GLN   4  -7.218  12.323   9.634
   23    H    HIS   5           H        HIS   5  -2.154   7.745   9.668
   24    HA   HIS   5           HA       HIS   5   0.385   8.867  10.210
   25    HB2  HIS   5           HB2      HIS   5  -0.918   6.681  11.107
   26    HB3  HIS   5           HB3      HIS   5   0.181   5.922   9.960
   27    HD1  HIS   5           HD1      HIS   5   2.791   7.160  10.353
   28    HD2  HIS   5           HD2      HIS   5   0.203   6.579  13.551
   29    HE1  HIS   5           HE1      HIS   5   4.242   7.179  12.406
   30    H    MK8   6           H2       MK8   6  -0.893   7.053   7.380
   31    HB   MK8   6           HB       MK8   6  -0.615   5.592   5.186
   32    HBA  MK8   6           HBA      MK8   6  -1.120   7.222   4.872
   33    HD   MK8   6           HD       MK8   6  -1.104   7.682   2.356
   34    HDA  MK8   6           HDA      MK8   6   0.133   8.642   3.126
   35    HE   MK8   6           HE       MK8   6   0.509   6.863   0.624
   36    HG   MK8   6           HG       MK8   6   1.416   6.406   3.466
   37    HGA  MK8   6           HGA      MK8   6  -0.051   5.599   2.976
   38    HB1  MK8   6           HB1      MK8   6   2.481   5.891   5.224
   39   HB1A  MK8   6          HB1A      MK8   6   2.554   6.146   6.945
   40   HB1B  MK8   6          HB1B      MK8   6   1.413   4.989   6.300
   41    H    ARG   7           H        ARG   7  -0.465   9.273   5.966
   42    HA   ARG   7           HA       ARG   7   1.161  10.903   4.381
   43    HB2  ARG   7           HB2      ARG   7  -1.251  11.304   5.038
   44    HB3  ARG   7           HB3      ARG   7  -0.649  11.882   6.587
   45    HG2  ARG   7           HG2      ARG   7   0.600  13.124   4.241
   46    HG3  ARG   7           HG3      ARG   7  -1.122  13.449   4.433
   47    HD2  ARG   7           HD2      ARG   7   0.900  13.804   6.636
   48    HD3  ARG   7           HD3      ARG   7   0.416  15.099   5.541
   49    HE   ARG   7           HE       ARG   7  -1.032  14.140   7.790
   50   HH11  ARG   7          HH11      ARG   7  -3.000  16.076   4.891
   51   HH12  ARG   7          HH12      ARG   7  -1.430  15.416   4.575
   52   HH21  ARG   7          HH21      ARG   7  -3.949  15.844   6.963
   53   HH22  ARG   7          HH22      ARG   7  -3.100  15.008   8.217
   54    H    LYS   8           H        LYS   8   0.967  10.608   7.915
   55    HA   LYS   8           HA       LYS   8   2.748  12.578   8.659
   56    HB2  LYS   8           HB2      LYS   8   1.624  11.529  10.416
   57    HB3  LYS   8           HB3      LYS   8   2.042   9.919   9.853
   58    HG2  LYS   8           HG2      LYS   8   3.231  10.555  11.909
   59    HG3  LYS   8           HG3      LYS   8   4.326  10.214  10.566
   60    HD2  LYS   8           HD2      LYS   8   5.142  12.295  10.571
   61    HD3  LYS   8           HD3      LYS   8   3.535  13.014  10.697
   62    HE2  LYS   8           HE2      LYS   8   3.711  12.116  13.172
   63    HE3  LYS   8           HE3      LYS   8   5.440  12.210  12.840
   64    HZ1  LYS   8           HZ1      LYS   8   5.221  14.527  12.326
   65    HZ2  LYS   8           HZ2      LYS   8   4.531  14.247  13.846
   66    HZ3  LYS   8           HZ3      LYS   8   3.538  14.465  12.493
   67    H    LEU   9           H        LEU   9   3.464   9.224   7.742
   68    HA   LEU   9           HA       LEU   9   6.275   9.477   8.106
   69    HB2  LEU   9           HB2      LEU   9   4.398   7.453   7.147
   70    HB3  LEU   9           HB3      LEU   9   5.957   7.417   6.326
   71    HG   LEU   9           HG       LEU   9   5.865   7.438   9.313
   72   HD11  LEU   9          HD11      LEU   9   5.855   4.950   9.241
   73   HD12  LEU   9          HD12      LEU   9   5.390   5.047   7.542
   74   HD13  LEU   9          HD13      LEU   9   4.320   5.689   8.787
   75   HD21  LEU   9          HD21      LEU   9   7.736   6.337   7.223
   76   HD22  LEU   9          HD22      LEU   9   7.910   6.046   8.952
   77   HD23  LEU   9          HD23      LEU   9   8.022   7.689   8.318
   78    H    MK8  10           H2       MK8  10   4.115   9.869   5.237
   79    HB   MK8  10           HB       MK8  10   3.320  11.362   3.490
   80    HBA  MK8  10           HBA      MK8  10   4.306  11.595   2.072
   81    HD   MK8  10           HD       MK8  10   1.447  10.134   2.355
   82    HDA  MK8  10           HDA      MK8  10   2.243  10.617   0.880
   83    HE   MK8  10           HE       MK8  10   2.159   8.389  -0.080
   84    HG   MK8  10           HG       MK8  10   4.234   9.227   1.496
   85    HGA  MK8  10           HGA      MK8  10   3.470   8.803   3.018
   86    HB1  MK8  10           HB1      MK8  10   7.437   9.980   3.344
   87   HB1A  MK8  10          HB1A      MK8  10   6.162   8.860   2.878
   88   HB1B  MK8  10          HB1B      MK8  10   6.498  10.297   1.897
   89    H    GLN  11           H        GLN  11   4.513  12.458   5.363
   90    HA   GLN  11           HA       GLN  11   5.897  14.788   4.695
   91    HB2  GLN  11           HB2      GLN  11   3.838  14.242   6.339
   92    HB3  GLN  11           HB3      GLN  11   5.115  14.439   7.532
   93    HG2  GLN  11           HG2      GLN  11   4.830  16.510   5.425
   94    HG3  GLN  11           HG3      GLN  11   3.642  16.466   6.725
   95   HE21  GLN  11          HE21      GLN  11   6.614  17.624   5.772
   96   HE22  GLN  11          HE22      GLN  11   7.219  18.113   7.315
   97    H    ALA  12           H        ALA  12   6.883  12.051   6.536
   98    HA   ALA  12           HA       ALA  12   9.436  13.393   7.110
   99    HB1  ALA  12           HB1      ALA  12   9.566  12.484   9.296
  100    HB2  ALA  12           HB2      ALA  12   7.974  13.232   9.154
  101    HB3  ALA  12           HB3      ALA  12   8.141  11.480   9.038
  102    H    ALA  13           H        ALA  13  10.028  12.270   5.106
  103    HA   ALA  13           HA       ALA  13   9.998   9.476   4.829
  104    HB1  ALA  13           HB1      ALA  13  11.671   9.814   3.071
  105    HB2  ALA  13           HB2      ALA  13  10.339  10.965   2.937
  106    HB3  ALA  13           HB3      ALA  13  11.890  11.482   3.605
  107    H    ARG  14           H        ARG  14  11.932   8.061   4.766
  108    HA   ARG  14           HA       ARG  14  13.661   7.014   5.810
  109    HB2  ARG  14           HB2      ARG  14  14.547   9.574   5.264
  110    HB3  ARG  14           HB3      ARG  14  14.903   9.385   6.976
  111    HG2  ARG  14           HG2      ARG  14  16.839   8.655   5.936
  112    HG3  ARG  14           HG3      ARG  14  15.981   7.155   6.298
  113    HD2  ARG  14           HD2      ARG  14  15.354   6.835   4.076
  114    HD3  ARG  14           HD3      ARG  14  15.632   8.525   3.656
  115    HE   ARG  14           HE       ARG  14  18.036   7.226   4.463
  116   HH11  ARG  14          HH11      ARG  14  17.022   7.280   0.591
  117   HH12  ARG  14          HH12      ARG  14  15.827   7.614   1.801
  118   HH21  ARG  14          HH21      ARG  14  19.176   6.806   1.207
  119   HH22  ARG  14          HH22      ARG  14  19.617   6.784   2.880
  120    HN1  NH2  15           HN1      NH2  15  14.989   7.164   8.089
  121    HN2  NH2  15           HN2      NH2  15  13.938   7.276   9.460
  Start of MODEL   14
    1    H1   ACE   1           H1       ACE   1  -2.956   0.528  10.484
    2    H2   ACE   1           H2       ACE   1  -2.051   1.945  11.063
    3    H3   ACE   1           H3       ACE   1  -3.464   1.361  11.973
    4    H    ASP   2           H        ASP   2  -3.489   3.902  11.408
    5    HA   ASP   2           HA       ASP   2  -5.690   4.136   9.538
    6    HB2  ASP   2           HB2      ASP   2  -4.587   5.741  11.758
    7    HB3  ASP   2           HB3      ASP   2  -5.280   6.670  10.431
    8    HA   PRO   3           HA       PRO   3  -3.553   5.902   6.141
    9    HB2  PRO   3           HB2      PRO   3  -5.261   7.845   5.316
   10    HB3  PRO   3           HB3      PRO   3  -5.586   6.121   5.096
   11    HG2  PRO   3           HG2      PRO   3  -6.614   7.989   7.197
   12    HG3  PRO   3           HG3      PRO   3  -7.487   6.742   6.283
   13    HD2  PRO   3           HD2      PRO   3  -6.621   6.353   8.820
   14    HD3  PRO   3           HD3      PRO   3  -6.716   5.038   7.631
   15    H    GLN   4           H        GLN   4  -4.704   8.163   8.588
   16    HA   GLN   4           HA       GLN   4  -3.407  10.478   7.803
   17    HB2  GLN   4           HB2      GLN   4  -3.996   9.416  10.565
   18    HB3  GLN   4           HB3      GLN   4  -3.366  11.030  10.272
   19    HG2  GLN   4           HG2      GLN   4  -5.342  11.554   8.931
   20    HG3  GLN   4           HG3      GLN   4  -5.976   9.938   9.243
   21   HE21  GLN   4          HE21      GLN   4  -7.633  11.808   9.917
   22   HE22  GLN   4          HE22      GLN   4  -7.662  12.101  11.619
   23    H    HIS   5           H        HIS   5  -2.154   7.727   9.630
   24    HA   HIS   5           HA       HIS   5   0.377   8.883  10.200
   25    HB2  HIS   5           HB2      HIS   5  -0.883   6.741  11.173
   26    HB3  HIS   5           HB3      HIS   5   0.106   5.926   9.965
   27    HD1  HIS   5           HD1      HIS   5   2.751   6.267  10.231
   28    HD2  HIS   5           HD2      HIS   5   0.424   7.405  13.479
   29    HE1  HIS   5           HE1      HIS   5   4.343   6.444  12.168
   30    H    MK8   6           H2       MK8   6  -0.887   7.060   7.365
   31    HB   MK8   6           HB       MK8   6  -0.592   5.589   5.149
   32    HBA  MK8   6           HBA      MK8   6  -1.087   7.220   4.819
   33    HD   MK8   6           HD       MK8   6  -1.080   7.646   2.335
   34    HDA  MK8   6           HDA      MK8   6   0.138   8.639   3.099
   35    HE   MK8   6           HE       MK8   6   0.535   6.870   0.595
   36    HG   MK8   6           HG       MK8   6   1.476   6.452   3.464
   37    HGA  MK8   6           HGA      MK8   6   0.042   5.592   2.959
   38    HB1  MK8   6           HB1      MK8   6   2.536   6.138   6.963
   39   HB1A  MK8   6          HB1A      MK8   6   1.423   4.987   6.272
   40   HB1B  MK8   6          HB1B      MK8   6   2.515   5.909   5.236
   41    H    ARG   7           H        ARG   7  -0.463   9.271   5.961
   42    HA   ARG   7           HA       ARG   7   1.169  10.895   4.371
   43    HB2  ARG   7           HB2      ARG   7  -1.192  11.397   4.879
   44    HB3  ARG   7           HB3      ARG   7  -0.753  11.737   6.547
   45    HG2  ARG   7           HG2      ARG   7   0.386  13.694   5.976
   46    HG3  ARG   7           HG3      ARG   7   0.480  13.244   4.272
   47    HD2  ARG   7           HD2      ARG   7  -2.082  13.858   5.737
   48    HD3  ARG   7           HD3      ARG   7  -1.190  15.022   4.757
   49    HE   ARG   7           HE       ARG   7  -2.939  12.988   3.815
   50   HH11  ARG   7          HH11      ARG   7  -0.195  14.511   1.328
   51   HH12  ARG   7          HH12      ARG   7  -0.019  14.720   3.040
   52   HH21  ARG   7          HH21      ARG   7  -1.994  13.366   0.490
   53   HH22  ARG   7          HH22      ARG   7  -3.181  12.707   1.564
   54    H    LYS   8           H        LYS   8   0.976  10.600   7.904
   55    HA   LYS   8           HA       LYS   8   2.754  12.573   8.649
   56    HB2  LYS   8           HB2      LYS   8   1.632  11.528  10.407
   57    HB3  LYS   8           HB3      LYS   8   2.047   9.913   9.843
   58    HG2  LYS   8           HG2      LYS   8   3.237  10.547  11.898
   59    HG3  LYS   8           HG3      LYS   8   4.329  10.201  10.555
   60    HD2  LYS   8           HD2      LYS   8   5.178  12.265  10.605
   61    HD3  LYS   8           HD3      LYS   8   3.575  12.999  10.637
   62    HE2  LYS   8           HE2      LYS   8   3.494  13.036  12.940
   63    HE3  LYS   8           HE3      LYS   8   4.651  11.715  13.106
   64    HZ1  LYS   8           HZ1      LYS   8   5.485  13.986  13.716
   65    HZ2  LYS   8           HZ2      LYS   8   5.408  14.387  12.074
   66    HZ3  LYS   8           HZ3      LYS   8   6.434  13.146  12.595
   67    H    LEU   9           H        LEU   9   3.470   9.218   7.734
   68    HA   LEU   9           HA       LEU   9   6.281   9.466   8.100
   69    HB2  LEU   9           HB2      LEU   9   4.404   7.448   7.133
   70    HB3  LEU   9           HB3      LEU   9   5.963   7.413   6.313
   71    HG   LEU   9           HG       LEU   9   5.870   7.424   9.299
   72   HD11  LEU   9          HD11      LEU   9   6.051   4.761   8.213
   73   HD12  LEU   9          HD12      LEU   9   4.506   5.510   7.809
   74   HD13  LEU   9          HD13      LEU   9   5.013   5.387   9.494
   75   HD21  LEU   9          HD21      LEU   9   7.744   6.397   7.184
   76   HD22  LEU   9          HD22      LEU   9   7.901   5.982   8.891
   77   HD23  LEU   9          HD23      LEU   9   8.034   7.664   8.377
   78    H    MK8  10           H2       MK8  10   4.121   9.869   5.237
   79    HB   MK8  10           HB       MK8  10   3.318  11.366   3.491
   80    HBA  MK8  10           HBA      MK8  10   4.303  11.608   2.074
   81    HD   MK8  10           HD       MK8  10   1.442  10.144   2.337
   82    HDA  MK8  10           HDA      MK8  10   2.245  10.640   0.870
   83    HE   MK8  10           HE       MK8  10   2.170   8.419  -0.106
   84    HG   MK8  10           HG       MK8  10   4.232   9.243   1.482
   85    HGA  MK8  10           HGA      MK8  10   3.463   8.810   2.998
   86    HB1  MK8  10           HB1      MK8  10   6.131   8.864   2.848
   87   HB1A  MK8  10          HB1A      MK8  10   6.515  10.310   1.900
   88   HB1B  MK8  10          HB1B      MK8  10   7.420   9.939   3.357
   89    H    GLN  11           H        GLN  11   4.517  12.453   5.359
   90    HA   GLN  11           HA       GLN  11   5.895  14.787   4.697
   91    HB2  GLN  11           HB2      GLN  11   3.871  14.123   6.440
   92    HB3  GLN  11           HB3      GLN  11   5.178  14.575   7.529
   93    HG2  GLN  11           HG2      GLN  11   3.683  16.448   6.970
   94    HG3  GLN  11           HG3      GLN  11   5.361  16.736   6.509
   95   HE21  GLN  11          HE21      GLN  11   5.594  17.643   4.610
   96   HE22  GLN  11          HE22      GLN  11   4.537  17.473   3.253
   97    H    ALA  12           H        ALA  12   6.882  12.051   6.539
   98    HA   ALA  12           HA       ALA  12   9.274  13.501   7.465
   99    HB1  ALA  12           HB1      ALA  12   7.613  12.241   9.078
  100    HB2  ALA  12           HB2      ALA  12   8.560  10.838   8.581
  101    HB3  ALA  12           HB3      ALA  12   9.355  12.212   9.350
  102    H    ALA  13           H        ALA  13   8.985  12.512   4.791
  103    HA   ALA  13           HA       ALA  13  10.162  10.013   4.357
  104    HB1  ALA  13           HB1      ALA  13  10.469  10.679   2.112
  105    HB2  ALA  13           HB2      ALA  13   9.003  11.488   2.664
  106    HB3  ALA  13           HB3      ALA  13  10.514  12.387   2.547
  107    H    ARG  14           H        ARG  14  11.591  13.167   4.969
  108    HA   ARG  14           HA       ARG  14  14.203  11.854   5.248
  109    HB2  ARG  14           HB2      ARG  14  13.477  13.886   3.333
  110    HB3  ARG  14           HB3      ARG  14  14.717  14.492   4.423
  111    HG2  ARG  14           HG2      ARG  14  16.231  13.441   3.202
  112    HG3  ARG  14           HG3      ARG  14  15.521  11.906   3.705
  113    HD2  ARG  14           HD2      ARG  14  15.631  12.005   1.294
  114    HD3  ARG  14           HD3      ARG  14  13.948  12.042   1.817
  115    HE   ARG  14           HE       ARG  14  15.103  14.643   1.391
  116   HH11  ARG  14          HH11      ARG  14  12.787  12.904  -1.370
  117   HH12  ARG  14          HH12      ARG  14  13.442  11.958  -0.074
  118   HH21  ARG  14          HH21      ARG  14  13.246  15.144  -1.504
  119   HH22  ARG  14          HH22      ARG  14  14.247  15.898  -0.310
  120    HN1  NH2  15           HN1      NH2  15  15.796  13.344   6.432
  121    HN2  NH2  15           HN2      NH2  15  15.165  14.213   7.792
  Start of MODEL   15
    1    H1   ACE   1           H1       ACE   1  -4.514   0.137   6.901
    2    H2   ACE   1           H2       ACE   1  -6.056   0.714   7.574
    3    H3   ACE   1           H3       ACE   1  -5.532   1.257   5.963
    4    H    ASP   2           H        ASP   2  -6.238   2.797   8.309
    5    HA   ASP   2           HA       ASP   2  -5.571   4.736   9.300
    6    HB2  ASP   2           HB2      ASP   2  -3.119   3.029   9.748
    7    HB3  ASP   2           HB3      ASP   2  -3.330   4.625  10.466
    8    HA   PRO   3           HA       PRO   3  -3.265   6.012   5.455
    9    HB2  PRO   3           HB2      PRO   3  -5.118   7.827   4.648
   10    HB3  PRO   3           HB3      PRO   3  -5.195   6.116   4.210
   11    HG2  PRO   3           HG2      PRO   3  -6.664   7.585   6.364
   12    HG3  PRO   3           HG3      PRO   3  -7.270   6.366   5.229
   13    HD2  PRO   3           HD2      PRO   3  -6.625   5.778   7.792
   14    HD3  PRO   3           HD3      PRO   3  -6.425   4.612   6.468
   15    H    GLN   4           H        GLN   4  -4.441   7.448   8.315
   16    HA   GLN   4           HA       GLN   4  -3.699  10.134   7.920
   17    HB2  GLN   4           HB2      GLN   4  -3.780   8.550  10.495
   18    HB3  GLN   4           HB3      GLN   4  -3.732  10.305  10.372
   19    HG2  GLN   4           HG2      GLN   4  -5.909   9.178   8.832
   20    HG3  GLN   4           HG3      GLN   4  -5.985   8.710  10.530
   21   HE21  GLN   4          HE21      GLN   4  -6.779  10.119  11.944
   22   HE22  GLN   4          HE22      GLN   4  -7.119  11.781  11.616
   23    H    HIS   5           H        HIS   5  -1.982   7.668   9.848
   24    HA   HIS   5           HA       HIS   5   0.389   9.123  10.131
   25    HB2  HIS   5           HB2      HIS   5   1.275   7.231  11.123
   26    HB3  HIS   5           HB3      HIS   5  -0.449   6.925  11.295
   27    HD1  HIS   5           HD1      HIS   5   2.537   5.850   9.271
   28    HD2  HIS   5           HD2      HIS   5  -1.394   4.696   9.965
   29    HE1  HIS   5           HE1      HIS   5   2.300   3.592   8.193
   30    H    MK8   6           H2       MK8   6  -0.749   7.062   7.425
   31    HB   MK8   6           HB       MK8   6  -0.604   5.787   5.163
   32    HBA  MK8   6           HBA      MK8   6  -1.095   7.421   4.844
   33    HD   MK8   6           HD       MK8   6  -1.286   7.580   2.290
   34    HDA  MK8   6           HDA      MK8   6  -0.217   8.755   3.013
   35    HE   MK8   6           HE       MK8   6   0.274   7.080   0.478
   36    HG   MK8   6           HG       MK8   6   1.419   6.773   3.410
   37    HGA  MK8   6           HGA      MK8   6   0.091   5.716   2.994
   38    HB1  MK8   6           HB1      MK8   6   1.489   5.204   6.075
   39   HB1A  MK8   6          HB1A      MK8   6   2.579   6.232   5.142
   40   HB1B  MK8   6          HB1B      MK8   6   2.528   6.343   6.883
   41    H    ARG   7           H        ARG   7  -0.455   9.456   6.032
   42    HA   ARG   7           HA       ARG   7   1.069  11.178   4.443
   43    HB2  ARG   7           HB2      ARG   7  -1.322  11.499   5.227
   44    HB3  ARG   7           HB3      ARG   7  -0.658  12.044   6.762
   45    HG2  ARG   7           HG2      ARG   7   0.111  14.010   5.894
   46    HG3  ARG   7           HG3      ARG   7   0.302  13.345   4.270
   47    HD2  ARG   7           HD2      ARG   7  -2.338  13.923   5.606
   48    HD3  ARG   7           HD3      ARG   7  -1.544  14.978   4.438
   49    HE   ARG   7           HE       ARG   7  -3.016  12.578   3.883
   50   HH11  ARG   7          HH11      ARG   7  -0.715  14.276   1.084
   51   HH12  ARG   7          HH12      ARG   7  -0.520  14.720   2.748
   52   HH21  ARG   7          HH21      ARG   7  -2.287  12.721   0.488
   53   HH22  ARG   7          HH22      ARG   7  -3.283  11.985   1.696
   54    H    LYS   8           H        LYS   8   1.029  10.769   7.973
   55    HA   LYS   8           HA       LYS   8   2.876  12.749   8.629
   56    HB2  LYS   8           HB2      LYS   8   1.716  11.808  10.431
   57    HB3  LYS   8           HB3      LYS   8   2.085  10.163   9.934
   58    HG2  LYS   8           HG2      LYS   8   3.306  10.845  11.949
   59    HG3  LYS   8           HG3      LYS   8   4.382  10.424  10.615
   60    HD2  LYS   8           HD2      LYS   8   5.297  12.457  10.622
   61    HD3  LYS   8           HD3      LYS   8   3.711  13.232  10.556
   62    HE2  LYS   8           HE2      LYS   8   4.434  14.017  12.572
   63    HE3  LYS   8           HE3      LYS   8   3.657  12.523  13.102
   64    HZ1  LYS   8           HZ1      LYS   8   6.094  13.155  13.828
   65    HZ2  LYS   8           HZ2      LYS   8   6.483  12.397  12.365
   66    HZ3  LYS   8           HZ3      LYS   8   5.639  11.545  13.558
   67    H    LEU   9           H        LEU   9   3.425   9.319   7.875
   68    HA   LEU   9           HA       LEU   9   6.246   9.445   8.179
   69    HB2  LEU   9           HB2      LEU   9   4.261   7.494   7.252
   70    HB3  LEU   9           HB3      LEU   9   5.842   7.346   6.490
   71    HG   LEU   9           HG       LEU   9   5.692   7.497   9.464
   72   HD11  LEU   9          HD11      LEU   9   4.574   5.605   9.723
   73   HD12  LEU   9          HD12      LEU   9   5.671   4.770   8.622
   74   HD13  LEU   9          HD13      LEU   9   4.240   5.583   7.991
   75   HD21  LEU   9          HD21      LEU   9   7.732   6.411   9.392
   76   HD22  LEU   9          HD22      LEU   9   7.801   7.429   7.954
   77   HD23  LEU   9          HD23      LEU   9   7.423   5.713   7.801
   78    H    MK8  10           H2       MK8  10   4.075   9.808   5.319
   79    HB   MK8  10           HB       MK8  10   3.273  11.242   3.619
   80    HBA  MK8  10           HBA      MK8  10   4.228  11.591   2.204
   81    HD   MK8  10           HD       MK8  10   1.369  10.088   2.543
   82    HDA  MK8  10           HDA      MK8  10   2.047  10.767   1.084
   83    HE   MK8  10           HE       MK8  10   1.971   8.615  -0.105
   84    HG   MK8  10           HG       MK8  10   4.089   9.333   1.381
   85    HGA  MK8  10           HGA      MK8  10   3.430   8.718   2.887
   86    HB1  MK8  10           HB1      MK8  10   5.903   8.676   2.861
   87   HB1A  MK8  10          HB1A      MK8  10   6.461  10.094   1.958
   88   HB1B  MK8  10          HB1B      MK8  10   7.278   9.584   3.432
   89    H    GLN  11           H        GLN  11   4.545  12.368   5.347
   90    HA   GLN  11           HA       GLN  11   5.965  14.651   4.586
   91    HB2  GLN  11           HB2      GLN  11   3.879  14.241   6.206
   92    HB3  GLN  11           HB3      GLN  11   5.135  14.386   7.428
   93    HG2  GLN  11           HG2      GLN  11   4.905  16.446   5.282
   94    HG3  GLN  11           HG3      GLN  11   3.811  16.482   6.664
   95   HE21  GLN  11          HE21      GLN  11   5.195  15.953   8.787
   96   HE22  GLN  11          HE22      GLN  11   6.543  17.015   8.993
   97    H    ALA  12           H        ALA  12   6.895  11.968   6.531
   98    HA   ALA  12           HA       ALA  12   9.332  13.398   7.371
   99    HB1  ALA  12           HB1      ALA  12   7.853  11.124   8.666
  100    HB2  ALA  12           HB2      ALA  12   9.499  11.571   9.112
  101    HB3  ALA  12           HB3      ALA  12   8.186  12.727   9.321
  102    H    ALA  13           H        ALA  13   9.419  12.559   4.837
  103    HA   ALA  13           HA       ALA  13  10.659   9.911   4.778
  104    HB1  ALA  13           HB1      ALA  13  10.405  11.567   2.325
  105    HB2  ALA  13           HB2      ALA  13  10.205   9.827   2.546
  106    HB3  ALA  13           HB3      ALA  13   8.930  10.934   3.055
  107    H    ARG  14           H        ARG  14  11.417  13.119   3.401
  108    HA   ARG  14           HA       ARG  14  13.401  14.150   2.965
  109    HB2  ARG  14           HB2      ARG  14  13.744  12.877   5.620
  110    HB3  ARG  14           HB3      ARG  14  15.209  13.438   4.826
  111    HG2  ARG  14           HG2      ARG  14  14.783  15.517   5.442
  112    HG3  ARG  14           HG3      ARG  14  13.218  15.469   4.632
  113    HD2  ARG  14           HD2      ARG  14  12.309  14.316   6.665
  114    HD3  ARG  14           HD3      ARG  14  13.852  14.644   7.459
  115    HE   ARG  14           HE       ARG  14  13.150  16.784   7.799
  116   HH11  ARG  14          HH11      ARG  14  10.244  16.785   5.044
  117   HH12  ARG  14          HH12      ARG  14  11.289  15.410   5.198
  118   HH21  ARG  14          HH21      ARG  14  10.526  18.599   6.416
  119   HH22  ARG  14          HH22      ARG  14  11.781  18.600   7.608
  120    HN1  NH2  15           HN1      NH2  15  13.696  12.965   0.994
  121    HN2  NH2  15           HN2      NH2  15  14.938  11.768   0.859
  Start of MODEL   16
    1    H1   ACE   1           H1       ACE   1  -7.880   1.602   7.077
    2    H2   ACE   1           H2       ACE   1  -6.168   1.157   6.883
    3    H3   ACE   1           H3       ACE   1  -7.080   0.588   8.303
    4    H    ASP   2           H        ASP   2  -4.675   2.425   7.674
    5    HA   ASP   2           HA       ASP   2  -5.541   4.722   9.296
    6    HB2  ASP   2           HB2      ASP   2  -2.964   3.177   9.662
    7    HB3  ASP   2           HB3      ASP   2  -3.455   4.604  10.571
    8    HA   PRO   3           HA       PRO   3  -3.271   6.026   5.437
    9    HB2  PRO   3           HB2      PRO   3  -5.135   7.839   4.655
   10    HB3  PRO   3           HB3      PRO   3  -5.208   6.131   4.207
   11    HG2  PRO   3           HG2      PRO   3  -6.667   7.581   6.380
   12    HG3  PRO   3           HG3      PRO   3  -7.277   6.366   5.240
   13    HD2  PRO   3           HD2      PRO   3  -6.614   5.763   7.797
   14    HD3  PRO   3           HD3      PRO   3  -6.419   4.609   6.462
   15    H    GLN   4           H        GLN   4  -4.446   7.448   8.309
   16    HA   GLN   4           HA       GLN   4  -3.704  10.135   7.924
   17    HB2  GLN   4           HB2      GLN   4  -4.037   8.428  10.379
   18    HB3  GLN   4           HB3      GLN   4  -3.535  10.112  10.490
   19    HG2  GLN   4           HG2      GLN   4  -5.571  10.873   9.549
   20    HG3  GLN   4           HG3      GLN   4  -6.045   9.238   9.091
   21   HE21  GLN   4          HE21      GLN   4  -7.300  11.323  10.827
   22   HE22  GLN   4          HE22      GLN   4  -7.625  10.515  12.319
   23    H    HIS   5           H        HIS   5  -1.988   7.669   9.848
   24    HA   HIS   5           HA       HIS   5   0.385   9.123  10.132
   25    HB2  HIS   5           HB2      HIS   5   1.270   7.230  11.122
   26    HB3  HIS   5           HB3      HIS   5  -0.455   6.925  11.297
   27    HD1  HIS   5           HD1      HIS   5   2.531   5.850   9.268
   28    HD2  HIS   5           HD2      HIS   5  -1.399   4.696   9.969
   29    HE1  HIS   5           HE1      HIS   5   2.291   3.591   8.190
   30    H    MK8   6           H2       MK8   6  -0.760   7.071   7.421
   31    HB   MK8   6           HB       MK8   6  -0.637   5.818   5.165
   32    HBA  MK8   6           HBA      MK8   6  -1.077   7.461   4.814
   33    HD   MK8   6           HD       MK8   6  -1.253   7.481   2.225
   34    HDA  MK8   6           HDA      MK8   6  -0.234   8.706   2.940
   35    HE   MK8   6           HE       MK8   6   0.349   6.987   0.461
   36    HG   MK8   6           HG       MK8   6   1.440   6.780   3.427
   37    HGA  MK8   6           HGA      MK8   6   0.145   5.676   3.029
   38    HB1  MK8   6           HB1      MK8   6   2.580   6.237   5.154
   39   HB1A  MK8   6          HB1A      MK8   6   2.516   6.341   6.893
   40   HB1B  MK8   6          HB1B      MK8   6   1.477   5.206   6.070
   41    H    ARG   7           H        ARG   7  -0.459   9.455   6.037
   42    HA   ARG   7           HA       ARG   7   1.064  11.178   4.448
   43    HB2  ARG   7           HB2      ARG   7  -1.327  11.499   5.231
   44    HB3  ARG   7           HB3      ARG   7  -0.662  12.042   6.767
   45    HG2  ARG   7           HG2      ARG   7   0.711  13.606   5.037
   46    HG3  ARG   7           HG3      ARG   7  -0.822  13.419   4.183
   47    HD2  ARG   7           HD2      ARG   7  -1.047  15.345   5.540
   48    HD3  ARG   7           HD3      ARG   7  -1.964  14.066   6.336
   49    HE   ARG   7           HE       ARG   7   0.467  13.923   7.517
   50   HH11  ARG   7          HH11      ARG   7  -1.332  17.389   8.398
   51   HH12  ARG   7          HH12      ARG   7  -1.790  16.517   6.975
   52   HH21  ARG   7          HH21      ARG   7   0.301  16.561   9.776
   53   HH22  ARG   7          HH22      ARG   7   1.080  15.063   9.398
   54    H    LYS   8           H        LYS   8   1.029  10.761   7.975
   55    HA   LYS   8           HA       LYS   8   2.872  12.743   8.635
   56    HB2  LYS   8           HB2      LYS   8   1.714  11.796  10.435
   57    HB3  LYS   8           HB3      LYS   8   2.087  10.152   9.935
   58    HG2  LYS   8           HG2      LYS   8   3.317  10.795  11.941
   59    HG3  LYS   8           HG3      LYS   8   4.403  10.449  10.595
   60    HD2  LYS   8           HD2      LYS   8   5.171  12.428  11.727
   61    HD3  LYS   8           HD3      LYS   8   4.538  12.888  10.146
   62    HE2  LYS   8           HE2      LYS   8   2.429  13.562  11.194
   63    HE3  LYS   8           HE3      LYS   8   3.067  13.100  12.773
   64    HZ1  LYS   8           HZ1      LYS   8   4.506  14.874  12.809
   65    HZ2  LYS   8           HZ2      LYS   8   3.177  15.556  12.018
   66    HZ3  LYS   8           HZ3      LYS   8   4.525  15.055  11.129
   67    H    LEU   9           H        LEU   9   3.427   9.313   7.880
   68    HA   LEU   9           HA       LEU   9   6.247   9.445   8.177
   69    HB2  LEU   9           HB2      LEU   9   4.265   7.491   7.251
   70    HB3  LEU   9           HB3      LEU   9   5.849   7.345   6.492
   71    HG   LEU   9           HG       LEU   9   5.697   7.501   9.464
   72   HD11  LEU   9          HD11      LEU   9   4.560   5.618   9.727
   73   HD12  LEU   9          HD12      LEU   9   5.662   4.771   8.640
   74   HD13  LEU   9          HD13      LEU   9   4.239   5.587   7.992
   75   HD21  LEU   9          HD21      LEU   9   7.482   6.179   7.433
   76   HD22  LEU   9          HD22      LEU   9   7.589   5.852   9.163
   77   HD23  LEU   9          HD23      LEU   9   7.881   7.483   8.555
   78    H    MK8  10           H2       MK8  10   4.083   9.797   5.297
   79    HB   MK8  10           HB       MK8  10   3.294  11.219   3.592
   80    HBA  MK8  10           HBA      MK8  10   4.256  11.543   2.171
   81    HD   MK8  10           HD       MK8  10   1.413   9.993   2.545
   82    HDA  MK8  10           HDA      MK8  10   2.088  10.678   1.085
   83    HE   MK8  10           HE       MK8  10   2.072   8.506  -0.088
   84    HG   MK8  10           HG       MK8  10   4.150   9.260   1.408
   85    HGA  MK8  10           HGA      MK8  10   3.493   8.677   2.928
   86    HB1  MK8  10           HB1      MK8  10   6.051   8.682   2.928
   87   HB1A  MK8  10          HB1A      MK8  10   6.457  10.095   1.940
   88   HB1B  MK8  10          HB1B      MK8  10   7.375   9.745   3.394
   89    H    GLN  11           H        GLN  11   4.539  12.364   5.353
   90    HA   GLN  11           HA       GLN  11   5.953  14.651   4.589
   91    HB2  GLN  11           HB2      GLN  11   3.874  14.239   6.214
   92    HB3  GLN  11           HB3      GLN  11   5.133  14.376   7.433
   93    HG2  GLN  11           HG2      GLN  11   5.429  16.486   5.534
   94    HG3  GLN  11           HG3      GLN  11   3.763  16.439   6.105
   95   HE21  GLN  11          HE21      GLN  11   3.493  16.317   8.485
   96   HE22  GLN  11          HE22      GLN  11   4.588  17.225   9.466
   97    H    ALA  12           H        ALA  12   6.892  11.969   6.530
   98    HA   ALA  12           HA       ALA  12   8.969  13.249   8.003
   99    HB1  ALA  12           HB1      ALA  12   9.451  11.178   8.871
  100    HB2  ALA  12           HB2      ALA  12   7.766  10.960   8.395
  101    HB3  ALA  12           HB3      ALA  12   9.058  10.336   7.373
  102    H    ALA  13           H        ALA  13   9.047  11.072   5.176
  103    HA   ALA  13           HA       ALA  13  11.829  11.452   4.714
  104    HB1  ALA  13           HB1      ALA  13  10.395   9.470   4.005
  105    HB2  ALA  13           HB2      ALA  13   9.863  10.484   2.662
  106    HB3  ALA  13           HB3      ALA  13  11.570  10.072   2.833
  107    H    ARG  14           H        ARG  14  12.478  13.502   4.331
  108    HA   ARG  14           HA       ARG  14  10.970  15.220   2.542
  109    HB2  ARG  14           HB2      ARG  14  12.316  15.833   4.747
  110    HB3  ARG  14           HB3      ARG  14  13.647  15.993   3.608
  111    HG2  ARG  14           HG2      ARG  14  11.645  17.390   2.370
  112    HG3  ARG  14           HG3      ARG  14  11.364  17.737   4.077
  113    HD2  ARG  14           HD2      ARG  14  14.063  18.006   3.913
  114    HD3  ARG  14           HD3      ARG  14  13.566  18.553   2.312
  115    HE   ARG  14           HE       ARG  14  11.907  19.913   3.939
  116   HH11  ARG  14          HH11      ARG  14  15.689  21.021   4.631
  117   HH12  ARG  14          HH12      ARG  14  15.360  19.476   3.920
  118   HH21  ARG  14          HH21      ARG  14  13.963  22.427   5.176
  119   HH22  ARG  14          HH22      ARG  14  12.328  21.948   4.875
  120    HN1  NH2  15           HN1      NH2  15  11.645  15.978   0.549
  121    HN2  NH2  15           HN2      NH2  15  12.962  15.279  -0.334
  Start of MODEL   17
    1    H1   ACE   1           H1       ACE   1  -5.064   3.095  14.545
    2    H2   ACE   1           H2       ACE   1  -4.680   1.623  13.621
    3    H3   ACE   1           H3       ACE   1  -3.585   3.024  13.559
    4    H    ASP   2           H        ASP   2  -4.044   4.723  12.285
    5    HA   ASP   2           HA       ASP   2  -6.195   4.294  10.333
    6    HB2  ASP   2           HB2      ASP   2  -5.866   6.551  12.168
    7    HB3  ASP   2           HB3      ASP   2  -6.013   7.043  10.483
    8    HA   PRO   3           HA       PRO   3  -3.229   5.158   7.221
    9    HB2  PRO   3           HB2      PRO   3  -4.677   6.550   5.395
   10    HB3  PRO   3           HB3      PRO   3  -4.890   4.818   5.674
   11    HG2  PRO   3           HG2      PRO   3  -6.507   7.114   6.709
   12    HG3  PRO   3           HG3      PRO   3  -7.060   5.560   6.059
   13    HD2  PRO   3           HD2      PRO   3  -6.933   6.067   8.716
   14    HD3  PRO   3           HD3      PRO   3  -6.663   4.448   8.038
   15    H    GLN   4           H        GLN   4  -4.610   7.670   9.023
   16    HA   GLN   4           HA       GLN   4  -3.659   9.974   7.785
   17    HB2  GLN   4           HB2      GLN   4  -5.176   9.730   9.847
   18    HB3  GLN   4           HB3      GLN   4  -3.685   9.624  10.773
   19    HG2  GLN   4           HG2      GLN   4  -3.902  11.843  10.930
   20    HG3  GLN   4           HG3      GLN   4  -3.212  11.844   9.309
   21   HE21  GLN   4          HE21      GLN   4  -6.348  11.528  10.931
   22   HE22  GLN   4          HE22      GLN   4  -7.231  12.469   9.784
   23    H    HIS   5           H        HIS   5  -1.969   7.509   9.530
   24    HA   HIS   5           HA       HIS   5   0.375   9.065  10.080
   25    HB2  HIS   5           HB2      HIS   5   1.198   7.192  11.122
   26    HB3  HIS   5           HB3      HIS   5  -0.525   6.822  11.173
   27    HD1  HIS   5           HD1      HIS   5   2.611   5.364  10.257
   28    HD2  HIS   5           HD2      HIS   5  -1.279   5.120   8.817
   29    HE1  HIS   5           HE1      HIS   5   2.530   3.255   8.889
   30    H    MK8   6           H2       MK8   6  -0.781   7.162   7.318
   31    HB   MK8   6           HB       MK8   6  -0.668   5.842   5.106
   32    HBA  MK8   6           HBA      MK8   6  -1.062   7.508   4.774
   33    HD   MK8   6           HD       MK8   6  -1.224   7.488   2.160
   34    HDA  MK8   6           HDA      MK8   6  -0.210   8.706   2.892
   35    HE   MK8   6           HE       MK8   6   0.400   6.991   0.415
   36    HG   MK8   6           HG       MK8   6   1.450   6.765   3.391
   37    HGA  MK8   6           HGA      MK8   6   0.147   5.675   2.986
   38    HB1  MK8   6           HB1      MK8   6   1.447   5.157   6.050
   39   HB1A  MK8   6          HB1A      MK8   6   2.576   6.153   5.127
   40   HB1B  MK8   6          HB1B      MK8   6   2.508   6.269   6.872
   41    H    ARG   7           H        ARG   7  -0.428   9.391   5.951
   42    HA   ARG   7           HA       ARG   7   1.105  11.124   4.384
   43    HB2  ARG   7           HB2      ARG   7  -1.302  11.423   5.127
   44    HB3  ARG   7           HB3      ARG   7  -0.669  11.976   6.672
   45    HG2  ARG   7           HG2      ARG   7   0.705  13.496   4.818
   46    HG3  ARG   7           HG3      ARG   7  -0.928  13.389   4.158
   47    HD2  ARG   7           HD2      ARG   7  -1.776  14.066   6.425
   48    HD3  ARG   7           HD3      ARG   7  -0.102  14.387   6.876
   49    HE   ARG   7           HE       ARG   7  -0.159  16.304   5.615
   50   HH11  ARG   7          HH11      ARG   7  -3.712  15.565   3.926
   51   HH12  ARG   7          HH12      ARG   7  -2.932  14.338   4.868
   52   HH21  ARG   7          HH21      ARG   7  -2.711  17.606   3.647
   53   HH22  ARG   7          HH22      ARG   7  -1.176  17.929   4.377
   54    H    LYS   8           H        LYS   8   1.005  10.737   7.916
   55    HA   LYS   8           HA       LYS   8   2.821  12.734   8.593
   56    HB2  LYS   8           HB2      LYS   8   1.636  11.784  10.378
   57    HB3  LYS   8           HB3      LYS   8   2.041  10.142   9.896
   58    HG2  LYS   8           HG2      LYS   8   3.215  10.859  11.931
   59    HG3  LYS   8           HG3      LYS   8   4.322  10.447  10.619
   60    HD2  LYS   8           HD2      LYS   8   5.196  12.497  10.612
   61    HD3  LYS   8           HD3      LYS   8   3.597  13.245  10.545
   62    HE2  LYS   8           HE2      LYS   8   3.610  12.457  13.108
   63    HE3  LYS   8           HE3      LYS   8   5.343  12.679  12.866
   64    HZ1  LYS   8           HZ1      LYS   8   4.294  14.904  11.753
   65    HZ2  LYS   8           HZ2      LYS   8   4.916  14.807  13.324
   66    HZ3  LYS   8           HZ3      LYS   8   3.253  14.648  13.062
   67    H    LEU   9           H        LEU   9   3.419   9.308   7.866
   68    HA   LEU   9           HA       LEU   9   6.232   9.465   8.216
   69    HB2  LEU   9           HB2      LEU   9   4.287   7.491   7.253
   70    HB3  LEU   9           HB3      LEU   9   5.889   7.355   6.535
   71    HG   LEU   9           HG       LEU   9   5.661   7.520   9.500
   72   HD11  LEU   9          HD11      LEU   9   4.273   5.577   7.989
   73   HD12  LEU   9          HD12      LEU   9   4.520   5.638   9.734
   74   HD13  LEU   9          HD13      LEU   9   5.677   4.788   8.709
   75   HD21  LEU   9          HD21      LEU   9   7.647   6.173   9.423
   76   HD22  LEU   9          HD22      LEU   9   7.844   7.528   8.312
   77   HD23  LEU   9          HD23      LEU   9   7.464   5.923   7.687
   78    H    MK8  10           H2       MK8  10   4.105   9.790   5.327
   79    HB   MK8  10           HB       MK8  10   3.293  11.202   3.607
   80    HBA  MK8  10           HBA      MK8  10   4.262  11.566   2.207
   81    HD   MK8  10           HD       MK8  10   1.431  10.004   2.505
   82    HDA  MK8  10           HDA      MK8  10   2.119  10.693   1.053
   83    HE   MK8  10           HE       MK8  10   2.116   8.522  -0.122
   84    HG   MK8  10           HG       MK8  10   4.182   9.299   1.389
   85    HGA  MK8  10           HGA      MK8  10   3.510   8.680   2.889
   86    HB1  MK8  10           HB1      MK8  10   7.332   9.689   3.440
   87   HB1A  MK8  10          HB1A      MK8  10   6.002   8.668   2.935
   88   HB1B  MK8  10          HB1B      MK8  10   6.466  10.082   1.967
   89    H    GLN  11           H        GLN  11   4.553  12.357   5.343
   90    HA   GLN  11           HA       GLN  11   5.946  14.655   4.599
   91    HB2  GLN  11           HB2      GLN  11   3.867  14.204   6.225
   92    HB3  GLN  11           HB3      GLN  11   5.125  14.382   7.440
   93    HG2  GLN  11           HG2      GLN  11   5.238  16.463   5.424
   94    HG3  GLN  11           HG3      GLN  11   3.688  16.411   6.259
   95   HE21  GLN  11          HE21      GLN  11   4.068  15.965   8.740
   96   HE22  GLN  11          HE22      GLN  11   5.195  17.045   9.479
   97    H    ALA  12           H        ALA  12   6.916  11.981   6.538
   98    HA   ALA  12           HA       ALA  12   9.458  13.347   7.107
   99    HB1  ALA  12           HB1      ALA  12   7.849  11.663   9.015
  100    HB2  ALA  12           HB2      ALA  12   9.538  12.094   9.276
  101    HB3  ALA  12           HB3      ALA  12   8.310  13.356   9.193
  102    H    ALA  13           H        ALA  13   9.944  12.162   5.056
  103    HA   ALA  13           HA       ALA  13  10.592   9.336   5.591
  104    HB1  ALA  13           HB1      ALA  13   9.362   9.013   3.744
  105    HB2  ALA  13           HB2      ALA  13   9.492  10.697   3.241
  106    HB3  ALA  13           HB3      ALA  13  10.799   9.568   2.888
  107    H    ARG  14           H        ARG  14  11.766  12.343   4.137
  108    HA   ARG  14           HA       ARG  14  14.490  11.226   4.166
  109    HB2  ARG  14           HB2      ARG  14  14.977  13.169   2.587
  110    HB3  ARG  14           HB3      ARG  14  14.000  11.854   1.949
  111    HG2  ARG  14           HG2      ARG  14  12.109  13.125   1.835
  112    HG3  ARG  14           HG3      ARG  14  12.602  14.174   3.165
  113    HD2  ARG  14           HD2      ARG  14  12.997  15.644   1.498
  114    HD3  ARG  14           HD3      ARG  14  14.519  14.760   1.367
  115    HE   ARG  14           HE       ARG  14  12.380  13.681  -0.237
  116   HH11  ARG  14          HH11      ARG  14  15.220  16.021  -1.813
  117   HH12  ARG  14          HH12      ARG  14  15.018  15.951  -0.095
  118   HH21  ARG  14          HH21      ARG  14  13.867  14.779  -3.183
  119   HH22  ARG  14          HH22      ARG  14  12.639  13.767  -2.502
  120    HN1  NH2  15           HN1      NH2  15  16.149  12.301   5.188
  121    HN2  NH2  15           HN2      NH2  15  15.908  13.682   6.207
  Start of MODEL   18
    1    H1   ACE   1           H1       ACE   1  -0.793   0.675   4.931
    2    H2   ACE   1           H2       ACE   1  -0.532   0.748   6.691
    3    H3   ACE   1           H3       ACE   1  -1.475  -0.586   5.987
    4    H    ASP   2           H        ASP   2  -1.776   2.031   7.769
    5    HA   ASP   2           HA       ASP   2  -4.513   2.531   6.836
    6    HB2  ASP   2           HB2      ASP   2  -3.188   2.509   9.489
    7    HB3  ASP   2           HB3      ASP   2  -4.445   3.722   9.256
    8    HA   PRO   3           HA       PRO   3  -3.752   6.696   5.694
    9    HB2  PRO   3           HB2      PRO   3  -5.967   7.971   6.603
   10    HB3  PRO   3           HB3      PRO   3  -5.991   6.877   5.214
   11    HG2  PRO   3           HG2      PRO   3  -6.773   6.351   8.056
   12    HG3  PRO   3           HG3      PRO   3  -7.592   5.860   6.561
   13    HD2  PRO   3           HD2      PRO   3  -6.024   4.172   7.989
   14    HD3  PRO   3           HD3      PRO   3  -6.169   4.078   6.222
   15    H    GLN   4           H        GLN   4  -4.030   9.056   6.661
   16    HA   GLN   4           HA       GLN   4  -3.387  10.607   8.202
   17    HB2  GLN   4           HB2      GLN   4  -4.599   8.528   9.760
   18    HB3  GLN   4           HB3      GLN   4  -3.208   9.163  10.629
   19    HG2  GLN   4           HG2      GLN   4  -4.861  10.543  11.385
   20    HG3  GLN   4           HG3      GLN   4  -4.247  11.476  10.021
   21   HE21  GLN   4          HE21      GLN   4  -6.530   8.789  10.457
   22   HE22  GLN   4          HE22      GLN   4  -7.805   9.500   9.536
   23    H    HIS   5           H        HIS   5  -2.029   7.707   9.744
   24    HA   HIS   5           HA       HIS   5   0.490   8.840  10.202
   25    HB2  HIS   5           HB2      HIS   5  -0.694   6.643  11.121
   26    HB3  HIS   5           HB3      HIS   5   0.264   5.887   9.851
   27    HD1  HIS   5           HD1      HIS   5   2.435   5.073  10.671
   28    HD2  HIS   5           HD2      HIS   5   1.163   8.421  12.776
   29    HE1  HIS   5           HE1      HIS   5   4.211   5.495  12.401
   30    H    MK8   6           H2       MK8   6  -0.772   6.976   7.406
   31    HB   MK8   6           HB       MK8   6  -0.715   5.797   5.172
   32    HBA  MK8   6           HBA      MK8   6  -1.176   7.461   4.940
   33    HD   MK8   6           HD       MK8   6  -1.319   7.752   2.302
   34    HDA  MK8   6           HDA      MK8   6  -0.137   8.795   3.061
   35    HE   MK8   6           HE       MK8   6   0.265   7.039   0.548
   36    HG   MK8   6           HG       MK8   6   1.270   6.594   3.382
   37    HGA  MK8   6           HGA      MK8   6  -0.204   5.750   2.978
   38    HB1  MK8   6           HB1      MK8   6   2.485   6.071   5.078
   39   HB1A  MK8   6          HB1A      MK8   6   2.533   6.185   6.816
   40   HB1B  MK8   6          HB1B      MK8   6   1.400   5.095   6.068
   41    H    ARG   7           H        ARG   7  -0.460   9.354   5.956
   42    HA   ARG   7           HA       ARG   7   1.078  11.086   4.399
   43    HB2  ARG   7           HB2      ARG   7  -1.348  11.344   5.211
   44    HB3  ARG   7           HB3      ARG   7  -0.654  12.015   6.680
   45    HG2  ARG   7           HG2      ARG   7   0.386  13.795   5.424
   46    HG3  ARG   7           HG3      ARG   7  -0.185  13.094   3.910
   47    HD2  ARG   7           HD2      ARG   7  -1.595  14.964   4.615
   48    HD3  ARG   7           HD3      ARG   7  -2.494  13.448   4.600
   49    HE   ARG   7           HE       ARG   7  -2.820  13.676   6.847
   50   HH11  ARG   7          HH11      ARG   7  -0.008  16.458   7.443
   51   HH12  ARG   7          HH12      ARG   7  -0.166  15.711   5.889
   52   HH21  ARG   7          HH21      ARG   7  -1.406  15.856   9.155
   53   HH22  ARG   7          HH22      ARG   7  -2.622  14.650   8.899
   54    H    LYS   8           H        LYS   8   0.978  10.692   7.929
   55    HA   LYS   8           HA       LYS   8   2.774  12.696   8.622
   56    HB2  LYS   8           HB2      LYS   8   1.619  11.728  10.407
   57    HB3  LYS   8           HB3      LYS   8   2.007  10.090   9.896
   58    HG2  LYS   8           HG2      LYS   8   3.204  10.770  11.934
   59    HG3  LYS   8           HG3      LYS   8   4.293  10.360  10.608
   60    HD2  LYS   8           HD2      LYS   8   5.147  12.429  10.534
   61    HD3  LYS   8           HD3      LYS   8   3.555  13.181  10.655
   62    HE2  LYS   8           HE2      LYS   8   4.602  13.868  12.609
   63    HE3  LYS   8           HE3      LYS   8   3.667  12.467  13.136
   64    HZ1  LYS   8           HZ1      LYS   8   5.513  11.302  13.579
   65    HZ2  LYS   8           HZ2      LYS   8   6.269  12.813  13.635
   66    HZ3  LYS   8           HZ3      LYS   8   6.351  11.878  12.226
   67    H    LEU   9           H        LEU   9   3.410   9.285   7.851
   68    HA   LEU   9           HA       LEU   9   6.224   9.479   8.193
   69    HB2  LEU   9           HB2      LEU   9   4.293   7.475   7.294
   70    HB3  LEU   9           HB3      LEU   9   5.854   7.371   6.481
   71    HG   LEU   9           HG       LEU   9   5.755   7.493   9.464
   72   HD11  LEU   9          HD11      LEU   9   4.959   5.191   7.739
   73   HD12  LEU   9          HD12      LEU   9   4.265   5.748   9.261
   74   HD13  LEU   9          HD13      LEU   9   5.813   4.903   9.255
   75   HD21  LEU   9          HD21      LEU   9   7.904   6.877   9.329
   76   HD22  LEU   9          HD22      LEU   9   7.787   7.385   7.644
   77   HD23  LEU   9          HD23      LEU   9   7.583   5.684   8.071
   78    H    MK8  10           H2       MK8  10   4.076   9.811   5.309
   79    HB   MK8  10           HB       MK8  10   3.292  11.252   3.577
   80    HBA  MK8  10           HBA      MK8  10   4.265  11.544   2.161
   81    HD   MK8  10           HD       MK8  10   1.412  10.115   2.475
   82    HDA  MK8  10           HDA      MK8  10   2.152  10.682   1.002
   83    HE   MK8  10           HE       MK8  10   2.030   8.478  -0.066
   84    HG   MK8  10           HG       MK8  10   4.149   9.231   1.448
   85    HGA  MK8  10           HGA      MK8  10   3.433   8.708   2.961
   86    HB1  MK8  10           HB1      MK8  10   7.368   9.771   3.418
   87   HB1A  MK8  10          HB1A      MK8  10   6.050   8.711   2.934
   88   HB1B  MK8  10          HB1B      MK8  10   6.465  10.129   1.957
   89    H    GLN  11           H        GLN  11   4.508  12.375   5.357
   90    HA   GLN  11           HA       GLN  11   5.905  14.677   4.607
   91    HB2  GLN  11           HB2      GLN  11   3.813  14.234   6.219
   92    HB3  GLN  11           HB3      GLN  11   5.064  14.401   7.445
   93    HG2  GLN  11           HG2      GLN  11   5.115  16.479   5.388
   94    HG3  GLN  11           HG3      GLN  11   3.645  16.449   6.362
   95   HE21  GLN  11          HE21      GLN  11   4.547  18.597   6.962
   96   HE22  GLN  11          HE22      GLN  11   5.634  18.658   8.306
   97    H    ALA  12           H        ALA  12   6.859  12.002   6.549
   98    HA   ALA  12           HA       ALA  12   9.281  13.458   7.386
   99    HB1  ALA  12           HB1      ALA  12   9.325  12.342   9.378
  100    HB2  ALA  12           HB2      ALA  12   7.583  12.395   9.104
  101    HB3  ALA  12           HB3      ALA  12   8.490  10.930   8.734
  102    H    ALA  13           H        ALA  13   9.045  12.335   4.811
  103    HA   ALA  13           HA       ALA  13  10.028   9.748   4.514
  104    HB1  ALA  13           HB1      ALA  13  10.855  11.913   2.627
  105    HB2  ALA  13           HB2      ALA  13  10.359  10.254   2.285
  106    HB3  ALA  13           HB3      ALA  13   9.157  11.454   2.756
  107    H    ARG  14           H        ARG  14  12.060   8.859   4.374
  108    HA   ARG  14           HA       ARG  14  14.250   8.561   4.910
  109    HB2  ARG  14           HB2      ARG  14  14.210  11.278   3.663
  110    HB3  ARG  14           HB3      ARG  14  15.697  10.703   4.401
  111    HG2  ARG  14           HG2      ARG  14  15.878   8.911   2.894
  112    HG3  ARG  14           HG3      ARG  14  14.210   9.094   2.352
  113    HD2  ARG  14           HD2      ARG  14  15.248  10.127   0.614
  114    HD3  ARG  14           HD3      ARG  14  15.103  11.510   1.698
  115    HE   ARG  14           HE       ARG  14  17.520  10.278   2.278
  116   HH11  ARG  14          HH11      ARG  14  17.514  12.473  -1.069
  117   HH12  ARG  14          HH12      ARG  14  16.018  11.890  -0.418
  118   HH21  ARG  14          HH21      ARG  14  19.491  11.989  -0.018
  119   HH22  ARG  14          HH22      ARG  14  19.495  11.042   1.430
  120    HN1  NH2  15           HN1      NH2  15  13.799   8.308   7.154
  121    HN2  NH2  15           HN2      NH2  15  14.242   9.529   8.300
  Start of MODEL   19
    1    H1   ACE   1           H1       ACE   1  -1.850   1.876  10.409
    2    H2   ACE   1           H2       ACE   1  -1.026   2.702   9.066
    3    H3   ACE   1           H3       ACE   1  -0.702   3.194  10.745
    4    H    ASP   2           H        ASP   2  -3.720   2.448   9.085
    5    HA   ASP   2           HA       ASP   2  -5.648   3.624   8.814
    6    HB2  ASP   2           HB2      ASP   2  -6.395   4.475  10.745
    7    HB3  ASP   2           HB3      ASP   2  -4.785   4.197  11.407
    8    HA   PRO   3           HA       PRO   3  -4.827   6.968   6.095
    9    HB2  PRO   3           HB2      PRO   3  -7.140   8.384   6.212
   10    HB3  PRO   3           HB3      PRO   3  -7.014   6.815   5.410
   11    HG2  PRO   3           HG2      PRO   3  -8.054   7.465   8.140
   12    HG3  PRO   3           HG3      PRO   3  -8.717   6.357   6.924
   13    HD2  PRO   3           HD2      PRO   3  -7.267   5.495   9.041
   14    HD3  PRO   3           HD3      PRO   3  -7.240   4.674   7.467
   15    H    GLN   4           H        GLN   4  -3.191   7.759   7.729
   16    HA   GLN   4           HA       GLN   4  -3.401  10.521   8.065
   17    HB2  GLN   4           HB2      GLN   4  -4.747   9.097  10.098
   18    HB3  GLN   4           HB3      GLN   4  -3.263   9.710  10.818
   19    HG2  GLN   4           HG2      GLN   4  -3.826  11.952  10.266
   20    HG3  GLN   4           HG3      GLN   4  -5.186  11.428   9.276
   21   HE21  GLN   4          HE21      GLN   4  -7.088  11.628  10.192
   22   HE22  GLN   4          HE22      GLN   4  -7.418  11.594  11.889
   23    H    HIS   5           H        HIS   5  -2.017   7.574   9.457
   24    HA   HIS   5           HA       HIS   5   0.468   8.827  10.144
   25    HB2  HIS   5           HB2      HIS   5  -0.497   6.797  11.289
   26    HB3  HIS   5           HB3      HIS   5  -0.075   5.868   9.854
   27    HD1  HIS   5           HD1      HIS   5   1.922   4.527  10.404
   28    HD2  HIS   5           HD2      HIS   5   2.162   8.363  11.983
   29    HE1  HIS   5           HE1      HIS   5   4.185   4.665  11.492
   30    H    MK8   6           H2       MK8   6  -0.782   7.021   7.357
   31    HB   MK8   6           HB       MK8   6  -0.746   5.785   5.201
   32    HBA  MK8   6           HBA      MK8   6  -1.201   7.444   4.939
   33    HD   MK8   6           HD       MK8   6  -1.178   7.988   2.319
   34    HDA  MK8   6           HDA      MK8   6   0.166   8.769   3.113
   35    HE   MK8   6           HE       MK8   6   0.382   6.975   0.602
   36    HG   MK8   6           HG       MK8   6   1.131   6.304   3.322
   37    HGA  MK8   6           HGA      MK8   6  -0.490   5.808   2.932
   38    HB1  MK8   6           HB1      MK8   6   1.403   5.075   6.014
   39   HB1A  MK8   6          HB1A      MK8   6   2.453   6.052   4.982
   40   HB1B  MK8   6          HB1B      MK8   6   2.560   6.184   6.719
   41    H    ARG   7           H        ARG   7  -0.437   9.319   5.896
   42    HA   ARG   7           HA       ARG   7   1.104  11.058   4.349
   43    HB2  ARG   7           HB2      ARG   7  -1.338  11.280   5.176
   44    HB3  ARG   7           HB3      ARG   7  -0.631  12.021   6.604
   45    HG2  ARG   7           HG2      ARG   7   0.178  13.056   3.942
   46    HG3  ARG   7           HG3      ARG   7  -1.429  13.459   4.549
   47    HD2  ARG   7           HD2      ARG   7   0.220  13.887   6.724
   48    HD3  ARG   7           HD3      ARG   7   1.178  14.459   5.357
   49    HE   ARG   7           HE       ARG   7  -1.145  15.696   6.466
   50   HH11  ARG   7          HH11      ARG   7   0.080  16.678   2.782
   51   HH12  ARG   7          HH12      ARG   7   0.652  15.220   3.522
   52   HH21  ARG   7          HH21      ARG   7  -1.374  18.044   3.911
   53   HH22  ARG   7          HH22      ARG   7  -1.905  17.618   5.503
   54    H    LYS   8           H        LYS   8   0.968  10.668   7.878
   55    HA   LYS   8           HA       LYS   8   2.743  12.688   8.587
   56    HB2  LYS   8           HB2      LYS   8   1.567  11.712  10.357
   57    HB3  LYS   8           HB3      LYS   8   1.988  10.078   9.859
   58    HG2  LYS   8           HG2      LYS   8   3.155  10.735  11.899
   59    HG3  LYS   8           HG3      LYS   8   4.280  10.422  10.577
   60    HD2  LYS   8           HD2      LYS   8   4.981  12.409  11.733
   61    HD3  LYS   8           HD3      LYS   8   4.365  12.868  10.146
   62    HE2  LYS   8           HE2      LYS   8   2.181  12.894  11.938
   63    HE3  LYS   8           HE3      LYS   8   3.512  13.738  12.729
   64    HZ1  LYS   8           HZ1      LYS   8   3.426  14.592  10.079
   65    HZ2  LYS   8           HZ2      LYS   8   3.073  15.487  11.469
   66    HZ3  LYS   8           HZ3      LYS   8   1.841  14.656  10.666
   67    H    LEU   9           H        LEU   9   3.412   9.275   7.847
   68    HA   LEU   9           HA       LEU   9   6.221   9.493   8.217
   69    HB2  LEU   9           HB2      LEU   9   4.318   7.474   7.286
   70    HB3  LEU   9           HB3      LEU   9   5.900   7.375   6.516
   71    HG   LEU   9           HG       LEU   9   5.739   7.523   9.494
   72   HD11  LEU   9          HD11      LEU   9   5.441   5.161   9.693
   73   HD12  LEU   9          HD12      LEU   9   5.420   4.959   7.941
   74   HD13  LEU   9          HD13      LEU   9   4.097   5.799   8.747
   75   HD21  LEU   9          HD21      LEU   9   7.832   6.545   9.431
   76   HD22  LEU   9          HD22      LEU   9   7.855   7.561   7.992
   77   HD23  LEU   9          HD23      LEU   9   7.565   5.827   7.843
   78    H    MK8  10           H2       MK8  10   4.111   9.774   5.293
   79    HB   MK8  10           HB       MK8  10   3.346  11.232   3.542
   80    HBA  MK8  10           HBA      MK8  10   4.351  11.532   2.147
   81    HD   MK8  10           HD       MK8  10   1.519  10.186   2.312
   82    HDA  MK8  10           HDA      MK8  10   2.340  10.620   0.838
   83    HE   MK8  10           HE       MK8  10   2.127   8.390  -0.113
   84    HG   MK8  10           HG       MK8  10   4.279   9.198   1.450
   85    HGA  MK8  10           HGA      MK8  10   3.483   8.704   2.933
   86    HB1  MK8  10           HB1      MK8  10   6.546  10.111   1.983
   87   HB1A  MK8  10          HB1A      MK8  10   7.433   9.766   3.457
   88   HB1B  MK8  10          HB1B      MK8  10   6.125   8.696   2.963
   89    H    GLN  11           H        GLN  11   4.517  12.363   5.346
   90    HA   GLN  11           HA       GLN  11   5.898  14.675   4.602
   91    HB2  GLN  11           HB2      GLN  11   3.802  14.216   6.202
   92    HB3  GLN  11           HB3      GLN  11   5.042  14.394   7.436
   93    HG2  GLN  11           HG2      GLN  11   5.320  16.499   5.536
   94    HG3  GLN  11           HG3      GLN  11   3.638  16.411   6.054
   95   HE21  GLN  11          HE21      GLN  11   6.798  17.351   6.867
   96   HE22  GLN  11          HE22      GLN  11   6.481  17.886   8.479
   97    H    ALA  12           H        ALA  12   6.864  12.012   6.559
   98    HA   ALA  12           HA       ALA  12   9.400  13.384   7.130
   99    HB1  ALA  12           HB1      ALA  12   7.925  11.632   9.092
  100    HB2  ALA  12           HB2      ALA  12   9.494  12.399   9.348
  101    HB3  ALA  12           HB3      ALA  12   8.046  13.390   9.175
  102    H    ALA  13           H        ALA  13   9.437  11.948   4.979
  103    HA   ALA  13           HA       ALA  13   9.646   9.196   5.040
  104    HB1  ALA  13           HB1      ALA  13  10.414   9.371   2.930
  105    HB2  ALA  13           HB2      ALA  13   9.980  11.070   3.128
  106    HB3  ALA  13           HB3      ALA  13  11.649  10.551   3.365
  107    H    ARG  14           H        ARG  14  12.384  11.477   5.279
  108    HA   ARG  14           HA       ARG  14  14.308   9.551   5.944
  109    HB2  ARG  14           HB2      ARG  14  14.116  12.497   6.027
  110    HB3  ARG  14           HB3      ARG  14  15.298  11.788   7.123
  111    HG2  ARG  14           HG2      ARG  14  15.388  10.703   4.410
  112    HG3  ARG  14           HG3      ARG  14  15.757  12.426   4.520
  113    HD2  ARG  14           HD2      ARG  14  17.804  11.204   4.733
  114    HD3  ARG  14           HD3      ARG  14  17.404  11.891   6.306
  115    HE   ARG  14           HE       ARG  14  17.165   9.769   7.141
  116   HH11  ARG  14          HH11      ARG  14  17.337   7.912   3.598
  117   HH12  ARG  14          HH12      ARG  14  17.238   9.642   3.662
  118   HH21  ARG  14          HH21      ARG  14  17.366   6.692   5.534
  119   HH22  ARG  14          HH22      ARG  14  17.294   7.494   7.069
  120    HN1  NH2  15           HN1      NH2  15  13.101  12.058   8.197
  121    HN2  NH2  15           HN2      NH2  15  13.089  11.046   9.602
  Start of MODEL   20
    1    H1   ACE   1           H1       ACE   1  -1.619  -0.798   6.135
    2    H2   ACE   1           H2       ACE   1  -1.186   0.348   4.845
    3    H3   ACE   1           H3       ACE   1  -0.635   0.635   6.511
    4    H    ASP   2           H        ASP   2  -1.669   2.174   7.459
    5    HA   ASP   2           HA       ASP   2  -4.536   2.541   6.877
    6    HB2  ASP   2           HB2      ASP   2  -3.399   3.507   9.456
    7    HB3  ASP   2           HB3      ASP   2  -5.011   2.893   9.097
    8    HA   PRO   3           HA       PRO   3  -3.740   6.686   5.679
    9    HB2  PRO   3           HB2      PRO   3  -5.963   7.955   6.584
   10    HB3  PRO   3           HB3      PRO   3  -5.980   6.860   5.197
   11    HG2  PRO   3           HG2      PRO   3  -6.767   6.335   8.037
   12    HG3  PRO   3           HG3      PRO   3  -7.579   5.838   6.540
   13    HD2  PRO   3           HD2      PRO   3  -6.010   4.159   7.973
   14    HD3  PRO   3           HD3      PRO   3  -6.150   4.063   6.205
   15    H    GLN   4           H        GLN   4  -4.025   9.047   6.644
   16    HA   GLN   4           HA       GLN   4  -3.386  10.599   8.185
   17    HB2  GLN   4           HB2      GLN   4  -4.602   8.522   9.741
   18    HB3  GLN   4           HB3      GLN   4  -3.215   9.158  10.614
   19    HG2  GLN   4           HG2      GLN   4  -4.367  11.455   9.828
   20    HG3  GLN   4           HG3      GLN   4  -5.788  10.424   9.963
   21   HE21  GLN   4          HE21      GLN   4  -5.585  12.555  11.594
   22   HE22  GLN   4          HE22      GLN   4  -5.259  12.052  13.215
   23    H    HIS   5           H        HIS   5  -2.033   7.703   9.734
   24    HA   HIS   5           HA       HIS   5   0.484   8.840  10.198
   25    HB2  HIS   5           HB2      HIS   5  -0.778   6.511  10.931
   26    HB3  HIS   5           HB3      HIS   5   0.500   5.925   9.873
   27    HD1  HIS   5           HD1      HIS   5   2.952   7.210  10.555
   28    HD2  HIS   5           HD2      HIS   5   0.066   6.615  13.485
   29    HE1  HIS   5           HE1      HIS   5   4.180   7.336  12.745
   30    H    MK8   6           H2       MK8   6  -0.768   6.964   7.423
   31    HB   MK8   6           HB       MK8   6  -0.718   5.803   5.162
   32    HBA  MK8   6           HBA      MK8   6  -1.208   7.464   4.973
   33    HD   MK8   6           HD       MK8   6  -1.359   7.828   2.340
   34    HDA  MK8   6           HDA      MK8   6  -0.163   8.856   3.094
   35    HE   MK8   6           HE       MK8   6   0.184   7.149   0.542
   36    HG   MK8   6           HG       MK8   6   1.238   6.667   3.376
   37    HGA  MK8   6           HGA      MK8   6  -0.224   5.811   2.966
   38    HB1  MK8   6           HB1      MK8   6   2.540   6.204   6.762
   39   HB1A  MK8   6          HB1A      MK8   6   1.369   5.095   6.089
   40   HB1B  MK8   6          HB1B      MK8   6   2.418   6.040   5.033
   41    H    ARG   7           H        ARG   7  -0.453   9.347   5.950
   42    HA   ARG   7           HA       ARG   7   1.090  11.082   4.396
   43    HB2  ARG   7           HB2      ARG   7  -1.349  11.307   5.264
   44    HB3  ARG   7           HB3      ARG   7  -0.609  12.068   6.666
   45    HG2  ARG   7           HG2      ARG   7  -0.081  13.951   5.540
   46    HG3  ARG   7           HG3      ARG   7   0.239  13.090   4.033
   47    HD2  ARG   7           HD2      ARG   7  -1.700  14.013   3.367
   48    HD3  ARG   7           HD3      ARG   7  -2.430  12.700   4.292
   49    HE   ARG   7           HE       ARG   7  -3.233  14.258   5.748
   50   HH11  ARG   7          HH11      ARG   7  -0.728  17.209   4.726
   51   HH12  ARG   7          HH12      ARG   7  -0.539  15.637   4.025
   52   HH21  ARG   7          HH21      ARG   7  -2.408  17.600   6.234
   53   HH22  ARG   7          HH22      ARG   7  -3.493  16.324   6.676
   54    H    LYS   8           H        LYS   8   0.977  10.692   7.926
   55    HA   LYS   8           HA       LYS   8   2.769  12.696   8.624
   56    HB2  LYS   8           HB2      LYS   8   1.610  11.728  10.406
   57    HB3  LYS   8           HB3      LYS   8   2.002  10.091   9.900
   58    HG2  LYS   8           HG2      LYS   8   3.191  10.774  11.938
   59    HG3  LYS   8           HG3      LYS   8   4.286  10.365  10.615
   60    HD2  LYS   8           HD2      LYS   8   5.181  12.406  10.629
   61    HD3  LYS   8           HD3      LYS   8   3.590  13.169  10.572
   62    HE2  LYS   8           HE2      LYS   8   3.467  13.390  12.844
   63    HE3  LYS   8           HE3      LYS   8   4.474  11.974  13.146
   64    HZ1  LYS   8           HZ1      LYS   8   5.337  14.696  12.373
   65    HZ2  LYS   8           HZ2      LYS   8   6.363  13.358  12.237
   66    HZ3  LYS   8           HZ3      LYS   8   5.765  13.815  13.753
   67    H    LEU   9           H        LEU   9   3.412   9.286   7.857
   68    HA   LEU   9           HA       LEU   9   6.225   9.484   8.208
   69    HB2  LEU   9           HB2      LEU   9   4.299   7.478   7.305
   70    HB3  LEU   9           HB3      LEU   9   5.863   7.374   6.497
   71    HG   LEU   9           HG       LEU   9   5.756   7.500   9.480
   72   HD11  LEU   9          HD11      LEU   9   4.379   5.546   8.018
   73   HD12  LEU   9          HD12      LEU   9   4.795   5.519   9.731
   74   HD13  LEU   9          HD13      LEU   9   5.882   4.790   8.549
   75   HD21  LEU   9          HD21      LEU   9   7.679   6.841   7.372
   76   HD22  LEU   9          HD22      LEU   9   7.661   5.703   8.722
   77   HD23  LEU   9          HD23      LEU   9   7.947   7.420   9.016
   78    H    MK8  10           H2       MK8  10   4.077   9.795   5.338
   79    HB   MK8  10           HB       MK8  10   3.266  11.285   3.609
   80    HBA  MK8  10           HBA      MK8  10   4.239  11.584   2.198
   81    HD   MK8  10           HD       MK8  10   1.364  10.197   2.482
   82    HDA  MK8  10           HDA      MK8  10   2.115  10.778   1.020
   83    HE   MK8  10           HE       MK8  10   1.922   8.610  -0.095
   84    HG   MK8  10           HG       MK8  10   4.087   9.288   1.442
   85    HGA  MK8  10           HGA      MK8  10   3.361   8.750   2.947
   86    HB1  MK8  10           HB1      MK8  10   7.268   9.632   3.438
   87   HB1A  MK8  10          HB1A      MK8  10   5.898   8.708   2.875
   88   HB1B  MK8  10          HB1B      MK8  10   6.438  10.137   1.975
   89    H    GLN  11           H        GLN  11   4.514  12.374   5.363
   90    HA   GLN  11           HA       GLN  11   5.899  14.683   4.619
   91    HB2  GLN  11           HB2      GLN  11   3.827  14.218   6.251
   92    HB3  GLN  11           HB3      GLN  11   5.088  14.400   7.462
   93    HG2  GLN  11           HG2      GLN  11   5.342  16.505   5.566
   94    HG3  GLN  11           HG3      GLN  11   3.662  16.411   6.089
   95   HE21  GLN  11          HE21      GLN  11   6.687  17.605   6.797
   96   HE22  GLN  11          HE22      GLN  11   6.427  18.042   8.446
   97    H    ALA  12           H        ALA  12   6.886  12.002   6.538
   98    HA   ALA  12           HA       ALA  12   9.164  13.477   7.638
   99    HB1  ALA  12           HB1      ALA  12   7.895  12.097   9.197
  100    HB2  ALA  12           HB2      ALA  12   8.218  10.670   8.208
  101    HB3  ALA  12           HB3      ALA  12   9.546  11.500   9.022
  102    H    ALA  13           H        ALA  13   9.163  13.073   4.856
  103    HA   ALA  13           HA       ALA  13  11.522  11.347   4.599
  104    HB1  ALA  13           HB1      ALA  13  10.732  10.151   2.807
  105    HB2  ALA  13           HB2      ALA  13   9.255  10.339   3.752
  106    HB3  ALA  13           HB3      ALA  13   9.551  11.384   2.365
  107    H    ARG  14           H        ARG  14  13.133  12.195   3.400
  108    HA   ARG  14           HA       ARG  14  12.639  14.818   2.174
  109    HB2  ARG  14           HB2      ARG  14  15.289  13.596   2.958
  110    HB3  ARG  14           HB3      ARG  14  15.002  15.255   2.450
  111    HG2  ARG  14           HG2      ARG  14  13.720  15.686   4.454
  112    HG3  ARG  14           HG3      ARG  14  13.886  13.999   4.948
  113    HD2  ARG  14           HD2      ARG  14  16.265  14.250   5.190
  114    HD3  ARG  14           HD3      ARG  14  16.201  15.879   4.521
  115    HE   ARG  14           HE       ARG  14  14.584  15.559   6.866
  116   HH11  ARG  14          HH11      ARG  14  18.295  17.042   7.119
  117   HH12  ARG  14          HH12      ARG  14  17.799  16.198   5.689
  118   HH21  ARG  14          HH21      ARG  14  16.832  17.306   8.862
  119   HH22  ARG  14          HH22      ARG  14  15.228  16.667   8.754
  120    HN1  NH2  15           HN1      NH2  15  14.827  12.025   1.638
  121    HN2  NH2  15           HN2      NH2  15  14.720  12.050  -0.091