*HEADER    ANTIBIOTIC                              17-NOV-16   5MF3              
*TITLE     NMR SOLUTION STRUCTURE OF HARZIANIN HK-VI IN SDS MICELLES             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HARZIANIN HK-VI;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: TRICHODERMA PSEUDOKONINGII;                     
*SOURCE   4 ORGANISM_TAXID: 317029                                               
*KEYWDS    PEPTAIBOL, MEMBRANE ACTIVITY, BETA-BEND RIBBON SPIRAL,                
*KEYWDS   2 AMINOISOBUTYRIC ACID (AIB), STRUCTURE FROM CYANA 2.1, ANTIBIOTIC,    
*KEYWDS   3 FUNGAL PROTEIN                                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.KARA,H.ZAMORA-CARRERAS,S.AFONIN,S.L.GRAGE,A.S.ULRICH,M.A.JIMENEZ    
*REVDAT   2   15-NOV-23 5MF3    1
*REVDAT   1   13-JUN-18 5MF3    0                                                
# Restraints file 1: 1_HarzSDS25H_mod.upl
  3 ASN  QB      4 ILE  HN      4.89            #peak    11
  4 ILE  HA      4 ILE  HB      3.02            #peak    17
  8 LEU  HN      8 LEU  HB3     2.90            #peak   113
  8 LEU  HA      8 LEU  HB3     2.99            #peak   117
  8 LEU  HA      8 LEU  HB2     2.99            #peak   118
  9 LEU  HN      9 LEU  QB      3.78            #peak   131
  9 LEU  HA     10 AIB  HN      3.36            #peak   255
 12 DCL  HN     12 DCL  HB13    3.55            #peak   173
 12 DCL  HN     12 DCL  HB3     3.45            #peak   175
  4 ILE  HA      6 AIB  HN      4.91            #peak   193
  3 ASN  HA      6 AIB  HN      3.86            #peak   266
  5 ILE  HN      6 AIB  HN      2.96            #peak   239
  4 ILE  HN      6 AIB  HN      3.92            #peak   238
  3 ASN  HN      5 ILE  HN      4.07            #peak   237
  3 ASN  HN      4 ILE  HN      3.08            #peak   235
  4 ILE  HN      5 ILE  HN      2.80            #peak   207
  9 LEU  QB     12 DCL  HN      4.74            #peak   208
  9 LEU  HA     12 DCL  HN      4.04            #peak   214
  9 LEU  QB     10 AIB  HN      4.68            #peak   216
  8 LEU  HA     10 AIB  HN      4.42            #peak   219
  3 ASN  HA      5 ILE  HN      4.11            #peak   253
  8 LEU  HB3     9 LEU  HN      3.76            #peak   228
  8 LEU  HN      9 LEU  HN      2.93            #peak   232
  9 LEU  HN     10 AIB  HN      2.99            #peak   233
  6 AIB  HN      8 LEU  HN      3.39            #peak   240
 12 DCL  HN     12 DCL  HB12    3.55            #peak   261
  3 ASN  HN      3 ASN  QB      3.99            #peak     7
  5 ILE  HB      6 AIB  HN      2.96            #peak   271
  4 ILE  HN      4 ILE  HB      2.74            #peak   274
  4 ILE  HB      5 ILE  HN      3.14            #peak   275
  5 ILE  HN      5 ILE  HB      2.86            #peak   276
  8 LEU  HN      8 LEU  HB2     2.90            #peak   282
 12 DCL  HN     12 DCL  HB2     3.45            #peak   296
  8 LEU  HB2     9 LEU  HN      3.76            #peak   302
  2 AIB  HN      4 ILE  HN      5.04            #peak   321
  4 ILE  HN      4 ILE  HG13    3.86            #peak    14
  4 ILE  HA      4 ILE  HG12    3.79            #peak    32
  4 ILE  HA      4 ILE  HG13    3.79            #peak    33
  5 ILE  HN      5 ILE  HG12    3.52            #peak   332
  5 ILE  HA      5 ILE  HG13    3.73            #peak    61
  5 ILE  HA      5 ILE  HG12    3.73            #peak    44
 10 AIB  HN     11 PRO  HD3     4.20            #peak   259
  7 PRO  HD3     8 LEU  HN      4.60            #peak   258
  7 PRO  HD2     8 LEU  HN      4.60            #peak   245
 12 DCL  HN     12 DCL  HG      5.50            #peak   178
  3 ASN  HN      3 ASN  HD22    5.50            #peak   204
  5 ILE  HN      7 PRO  HD2     5.50            #peak   248
  5 ILE  HN      7 PRO  HD3     5.50            #peak   224
  9 LEU  HN     11 PRO  HD2     5.50            #peak   229
  9 LEU  HN     11 PRO  HD3     5.50            #peak   230
  3 ASN  HN      3 ASN  HD21    5.50            #peak   234
 10 AIB  HN     11 PRO  HD2     4.20            #peak   247
  6 AIB  HN      7 PRO  HD3     3.83            #peak   268
  6 AIB  HN      7 PRO  HD2     3.83            #peak   269
  5 ILE  HG13    6 AIB  HN      5.50            #peak   273
  5 ILE  HN      5 ILE  HG13    3.52            #peak   278
  8 LEU  HN      8 LEU  HG      3.36            #peak   280
  5 ILE  HG12    6 AIB  HN      5.50            #peak   287
  4 ILE  HN      4 ILE  HG12    3.86            #peak   291
  8 LEU  HG      9 LEU  HN      5.25            #peak   299
  7 PRO  QG      8 LEU  HN      5.61            #peak   344
  4 ILE  HA      7 PRO  QG      6.39            #peak   375
  5 ILE  HA      8 LEU  HG      3.42            #peak   383
  8 LEU  HA      8 LEU  HG      2.80            #peak   379
  4 ILE  HN      4 ILE  QD1     6.37            #peak   348
  4 ILE  HA      4 ILE  QG2     4.01            #peak    20
  4 ILE  HA      4 ILE  QD1     4.94            #peak    31
  5 ILE  HA      5 ILE  QD1     4.78            #peak    42
  5 ILE  HA      5 ILE  QG2     4.04            #peak    43
  1 ACE  Q1      3 ASN  HN      5.63            #peak    71
  2 AIB  HN      2 AIB  QB2     3.76            #peak   289
  2 AIB  HN      2 AIB  QB1     4.19            #peak    74
  2 AIB  QB2     3 ASN  HN      4.47            #peak    75
  2 AIB  QB1     3 ASN  HN      4.78            #peak    76
  9 LEU  HN      9 LEU  QD1     5.81            #peak   305
  9 LEU  HA      9 LEU  QD2     4.53            #peak   135
  9 LEU  HA      9 LEU  QD1     4.53            #peak   136
 10 AIB  HN     10 AIB  QB2     3.67            #peak   142
  5 ILE  QD1     6 AIB  HN      6.12            #peak   191
  5 ILE  QG2     6 AIB  HN      5.31            #peak   192
  2 AIB  QB1     4 ILE  HN      5.77            #peak   206
  9 LEU  QD1    10 AIB  HN      6.52            #peak   215
  6 AIB  QB2    10 AIB  HN      6.55            #peak   217
  2 AIB  QB1     5 ILE  HN      5.31            #peak   221
  9 LEU  HN     10 AIB  QB2     5.46            #peak   226
  5 ILE  HN      6 AIB  QB2     6.55            #peak   277
  6 AIB  QB2     8 LEU  HN      5.59            #peak   281
  8 LEU  HN      8 LEU  QD2     5.90            #peak   292
  8 LEU  HN      8 LEU  QD1     5.90            #peak   293
  4 ILE  HN      4 ILE  QG2     4.94            #peak    15
  6 AIB  QB2     9 LEU  HN      5.15            #peak   300
  9 LEU  HN      9 LEU  QD2     5.81            #peak   132
  2 AIB  QB1     5 ILE  HB      4.04            #peak   315
  1 ACE  Q1      2 AIB  QB1     5.44            #peak   360
  2 AIB  QB2     3 ASN  QB      7.43            #peak   317
  5 ILE  QG2     6 AIB  QB2     5.96            #peak   365
  1 ACE  Q1      5 ILE  QD1     7.55            #peak   322
  1 ACE  Q1      4 ILE  QD1     6.84            #peak   323
  2 AIB  QB1     5 ILE  QD1     7.44            #peak   329
  5 ILE  HN      5 ILE  QG2     4.88            #peak    40
  5 ILE  HN      5 ILE  QD1     5.84            #peak   331
  2 AIB  QB2     4 ILE  HN      6.55            #peak   337
  2 AIB  QB2     6 AIB  HN      6.55            #peak   338
  9 LEU  HN     10 AIB  QB1     6.55            #peak   339
  2 AIB  QB1     5 ILE  QG2     7.57            #peak   343
  4 ILE  QG2     5 ILE  HN      5.74            #peak   346
  9 LEU  QD2    10 AIB  HN      6.52            #peak   384
  1 ACE  Q1      4 ILE  HG13    5.38            #peak   358
  1 ACE  Q1      4 ILE  HG12    5.38            #peak   359
  7 PRO  HA     10 AIB  QB2     5.06            #peak   311
  4 ILE  HN      4 ILE  QG1     3.31            #peak    14
  4 ILE  HA      4 ILE  QG1     3.27            #peak    32
  4 ILE  HA      7 PRO  QD      4.23            #peak   309
  5 ILE  HN      7 PRO  QD      4.75            #peak   248
  5 ILE  HA      5 ILE  QG1     2.85            #peak    61
  5 ILE  HA      7 PRO  QD      4.29            #peak   308
  5 ILE  HA      8 LEU  QQD     4.74            #peak   381
  5 ILE  QG2     5 ILE  QG1     3.29            #peak    52
  5 ILE  QG1     6 AIB  HN      4.78            #peak   273
  6 AIB  HN      7 PRO  QD      3.34            #peak   268
  6 AIB  QB2     9 LEU  QQD     6.59            #peak   363
  7 PRO  QB      8 LEU  HN      3.41            #peak   351
  7 PRO  QD      8 LEU  HN      3.71            #peak   245
  8 LEU  HN      8 LEU  QB      2.44            #peak   113
  8 LEU  HN      8 LEU  QQD     4.70            #peak   293
  8 LEU  HA      8 LEU  QB      2.52            #peak   118
  8 LEU  HA      8 LEU  QQD     3.98            #peak   120
  8 LEU  QB      9 LEU  HN      3.16            #peak   228
  8 LEU  QQD     9 LEU  HN      6.18            #peak   303
  9 LEU  HN      9 LEU  QQD     4.59            #peak   132
  9 LEU  HN     11 PRO  QD      4.81            #peak   230
  9 LEU  HA      9 LEU  QQD     3.81            #peak   136
  9 LEU  HA     11 PRO  QD      4.58            #peak   307
  9 LEU  HA     12 DCL  QQD     6.24            #peak   377
  9 LEU  QB     11 PRO  QD      6.16            #peak   370
  9 LEU  QQD    10 AIB  HN      5.43            #peak   384
  9 LEU  QQD    12 DCL  HN      4.77            #peak   294
 10 AIB  HN     11 PRO  QG      5.08            #peak   218
 10 AIB  HN     11 PRO  QD      3.57            #peak   259
 10 AIB  QB2    11 PRO  QB      6.17            #peak   318
 10 AIB  QB2    11 PRO  QD      3.74            #peak   312
 11 PRO  QB     12 DCL  HN      3.71            #peak   209
 11 PRO  QD     12 DCL  HN      3.91            #peak   246
 11 PRO  QD     12 DCL  HG      3.88            #peak   366
 12 DCL  HN     12 DCL  QB      2.66            #peak   175
 12 DCL  HN     12 DCL  QQD     5.01            #peak   177
 12 DCL  HA     12 DCL  QB      2.60            #peak   180
 12 DCL  QB     12 DCL  QB1     3.13            #peak   325
# Restraints file 2: 1_HarzSDS25H.aco
   2   AIB  PHI    -180.0     0.0
   3   ASN  PHI     -79,8   -39,8
   3   ASN  PSI     -60,2   -20,2
   4   ILE  PHI     -95,9   -55,9
   4   ILE  PSI     -46,8     9,8
   5   ILE  PHI    -117,1   -60,7
   5   ILE  PSI     -62,1    29,5
   6   AIB  PHI    -173,5   -47,1
   7   PRO  PSI     -52,5   -12,5
   8   LEU  PHI     -88,7   -48,7
   8   LEU  PSI     -49,2    -3,5
   9   LEU  PHI    -117,0   -60,1
   9   LEU  PSI     -48,3    21,1
  10   AIB  PHI    -142,1   -36,6
  11   PRO  PSI     -58,2    -6,5
  12   DCL  PHI    -180.0     0.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   1          1H1       ACE   1  -0.514   0.000  -0.890
    2    H2   ACE   1          2H1       ACE   1   1.028   0.000   0.000
    3    H3   ACE   1          3H1       ACE   1  -0.514   0.000   0.890
    4    H    AIB   2           HN       AIB   2   2.062   1.771   0.171
    5   HB11  AIB   2          1HB1      AIB   2   3.018   5.316   0.514
    6   HB12  AIB   2          2HB1      AIB   2   3.318   3.638   1.137
    7   HB13  AIB   2          3HB1      AIB   2   3.452   3.985  -0.639
    8   HB21  AIB   2          1HB2      AIB   2   0.089   5.413   0.929
    9   HB22  AIB   2          2HB2      AIB   2  -0.110   3.760   1.652
   10   HB23  AIB   2          3HB2      AIB   2   1.322   4.782   2.101
   11    H    ASN   3           HN       ASN   3   0.765   2.735  -2.119
   12    HA   ASN   3           HA       ASN   3   0.736   5.153  -3.684
   13    HB2  ASN   3          2HB       ASN   3   0.683   2.278  -4.192
   14    HB3  ASN   3          3HB       ASN   3  -0.408   3.171  -5.247
   15   HD21  ASN   3          1HD2      ASN   3   2.813   3.768  -3.877
   16   HD22  ASN   3          2HD2      ASN   3   3.566   4.155  -5.383
   17    H    ILE   4           HN       ILE   4  -1.527   3.373  -1.843
   18    HA   ILE   4           HA       ILE   4  -3.868   4.235  -3.284
   19    HB   ILE   4           HB       ILE   4  -3.720   3.088  -0.495
   20   HG12  ILE   4          2HG1      ILE   4  -2.650   1.570  -2.085
   21   HG13  ILE   4          3HG1      ILE   4  -4.197   0.915  -1.560
   22   HG21  ILE   4          1HG2      ILE   4  -5.910   3.774  -2.361
   23   HG22  ILE   4          2HG2      ILE   4  -6.074   2.270  -1.457
   24   HG23  ILE   4          3HG2      ILE   4  -5.871   3.796  -0.598
   25   HD11  ILE   4          1HD1      ILE   4  -4.698   2.440  -3.871
   26   HD12  ILE   4          2HD1      ILE   4  -3.276   1.447  -4.197
   27   HD13  ILE   4          3HD1      ILE   4  -4.781   0.689  -3.675
   28    H    ILE   5           HN       ILE   5  -1.967   5.366  -0.589
   29    HA   ILE   5           HA       ILE   5  -3.872   7.162   0.496
   30    HB   ILE   5           HB       ILE   5  -0.858   7.150   0.656
   31   HG12  ILE   5          2HG1      ILE   5  -3.016   6.309   2.604
   32   HG13  ILE   5          3HG1      ILE   5  -1.934   5.235   1.724
   33   HG21  ILE   5          1HG2      ILE   5  -1.617   9.411   0.992
   34   HG22  ILE   5          2HG2      ILE   5  -2.850   8.867   2.128
   35   HG23  ILE   5          3HG2      ILE   5  -1.143   8.724   2.546
   36   HD11  ILE   5          1HD1      ILE   5  -0.870   5.299   3.725
   37   HD12  ILE   5          2HD1      ILE   5  -0.094   6.679   2.948
   38   HD13  ILE   5          3HD1      ILE   5  -1.413   6.937   4.090
   39    H    AIB   6           HN       AIB   6  -1.694   7.226  -2.222
   40   HB11  AIB   6          1HB1      AIB   6  -0.977   7.666  -4.160
   41   HB12  AIB   6          2HB1      AIB   6  -1.573   9.037  -5.189
   42   HB13  AIB   6          3HB1      AIB   6  -0.078   9.242  -4.180
   43   HB21  AIB   6          1HB2      AIB   6  -1.977  11.029  -1.788
   44   HB22  AIB   6          2HB2      AIB   6  -0.416  10.106  -1.758
   45   HB23  AIB   6          3HB2      AIB   6  -0.834  11.138  -3.191
   46    HA   PRO   7           HA       PRO   7  -5.322  10.068  -5.424
   47    HB2  PRO   7          2HB       PRO   7  -6.836   7.819  -5.568
   48    HB3  PRO   7          3HB       PRO   7  -5.479   8.135  -6.656
   49    HG2  PRO   7          2HG       PRO   7  -5.580   6.424  -4.201
   50    HG3  PRO   7          3HG       PRO   7  -4.819   6.090  -5.767
   51    HD2  PRO   7          2HD       PRO   7  -3.411   6.928  -3.612
   52    HD3  PRO   7          3HD       PRO   7  -2.957   7.356  -5.274
   53    H    LEU   8           HN       LEU   8  -5.230   8.555  -2.343
   54    HA   LEU   8           HA       LEU   8  -7.912   8.655  -1.570
   55    HB2  LEU   8          2HB       LEU   8  -5.388   8.204  -0.338
   56    HB3  LEU   8          3HB       LEU   8  -6.294   9.341   0.658
   57    HG   LEU   8           HG       LEU   8  -7.129   6.555  -0.137
   58   HD11  LEU   8          1HD1      LEU   8  -7.128   6.258   2.354
   59   HD12  LEU   8          2HD1      LEU   8  -6.323   7.822   2.471
   60   HD13  LEU   8          3HD1      LEU   8  -5.538   6.488   1.626
   61   HD21  LEU   8          1HD2      LEU   8  -8.704   8.853   0.676
   62   HD22  LEU   8          2HD2      LEU   8  -8.887   7.489   1.780
   63   HD23  LEU   8          3HD2      LEU   8  -9.225   7.284   0.061
   64    H    LEU   9           HN       LEU   9  -5.379  11.124  -1.394
   65    HA   LEU   9           HA       LEU   9  -7.465  13.104  -0.750
   66    HB2  LEU   9          2HB       LEU   9  -5.593  14.466   0.201
   67    HB3  LEU   9          3HB       LEU   9  -5.981  12.993   1.087
   68    HG   LEU   9           HG       LEU   9  -3.942  12.280  -0.695
   69   HD11  LEU   9          1HD1      LEU   9  -2.164  13.905   0.023
   70   HD12  LEU   9          2HD1      LEU   9  -3.460  14.968   0.568
   71   HD13  LEU   9          3HD1      LEU   9  -3.337  14.530  -1.136
   72   HD21  LEU   9          1HD2      LEU   9  -2.672  11.903   1.322
   73   HD22  LEU   9          2HD2      LEU   9  -4.351  11.436   1.590
   74   HD23  LEU   9          3HD2      LEU   9  -3.746  12.962   2.236
   75    H    AIB  10           HN       AIB  10  -6.437  11.974  -3.356
   76   HB11  AIB  10          1HB1      AIB  10  -4.926  12.140  -6.059
   77   HB12  AIB  10          2HB1      AIB  10  -6.611  11.744  -5.514
   78   HB13  AIB  10          3HB1      AIB  10  -6.339  13.033  -6.763
   79   HB21  AIB  10          1HB2      AIB  10  -4.037  14.327  -5.745
   80   HB22  AIB  10          2HB2      AIB  10  -4.381  15.125  -4.152
   81   HB23  AIB  10          3HB2      AIB  10  -3.725  13.433  -4.198
   82    HA   PRO  11           HA       PRO  11  -8.858  16.076  -6.269
   83    HB2  PRO  11          2HB       PRO  11 -11.225  15.338  -5.163
   84    HB3  PRO  11          3HB       PRO  11 -10.551  14.558  -6.598
   85    HG2  PRO  11          2HG       PRO  11 -10.478  13.660  -3.743
   86    HG3  PRO  11          3HG       PRO  11 -10.792  12.710  -5.207
   87    HD2  PRO  11          2HD       PRO  11  -8.386  12.719  -3.965
   88    HD3  PRO  11          3HD       PRO  11  -8.552  12.529  -5.722
   89    H    DCL  12           HN       DCL  12  -8.215  15.200  -3.004
   90    HA   DCL  12           HA       DCL  12  -9.761  17.360  -1.638
   91    HC1  DCL  12          2HB1      DCL  12  -6.837  18.038  -1.430
   92    HC2  DCL  12          3HB1      DCL  12  -7.557  18.343  -3.068
   93    HB1  DCL  12          2HB       DCL  12  -7.444  15.508  -0.876
   94    HB2  DCL  12          3HB       DCL  12  -7.924  16.880   0.210
   95    HG   DCL  12           HG       DCL  12  -9.849  14.717  -0.826
   96   HD11  DCL  12          1HD1      DCL  12 -10.941  15.766   1.480
   97   HD12  DCL  12          2HD1      DCL  12 -10.007  17.211   0.902
   98   HD13  DCL  12          3HD1      DCL  12 -11.266  16.456  -0.166
   99   HD21  DCL  12          1HD2      DCL  12  -9.272  14.743   2.080
  100   HD22  DCL  12          2HD2      DCL  12  -9.307  13.361   0.904
  101   HD23  DCL  12          3HD2      DCL  12  -7.806  14.367   1.081
  102    HO   DCL  12          4H1       DCL  12  -8.569  20.146  -2.116
  Start of MODEL    2
    1    H1   ACE   1          1H1       ACE   1   0.439   0.074  -1.180
    2    H2   ACE   1          2H1       ACE   1   0.849   0.090   0.552
    3    H3   ACE   1          3H1       ACE   1  -0.856   0.091   0.041
    4    H    AIB   2           HN       AIB   2   2.216   1.850  -0.110
    5   HB11  AIB   2          1HB1      AIB   2   3.588   4.042  -0.984
    6   HB12  AIB   2          2HB1      AIB   2   3.195   5.395   0.159
    7   HB13  AIB   2          3HB1      AIB   2   3.507   3.726   0.801
    8   HB21  AIB   2          1HB2      AIB   2   0.281   5.506   0.675
    9   HB22  AIB   2          2HB2      AIB   2   0.101   3.862   1.420
   10   HB23  AIB   2          3HB2      AIB   2   1.549   4.883   1.812
   11    H    ASN   3           HN       ASN   3   0.849   2.796  -2.366
   12    HA   ASN   3           HA       ASN   3   0.777   5.198  -3.954
   13    HB2  ASN   3          2HB       ASN   3   0.334   2.283  -4.476
   14    HB3  ASN   3          3HB       ASN   3  -0.242   3.462  -5.651
   15   HD21  ASN   3          1HD2      ASN   3   2.478   1.871  -4.305
   16   HD22  ASN   3          2HD2      ASN   3   3.675   2.561  -5.342
   17    H    ILE   4           HN       ILE   4  -1.431   3.446  -2.023
   18    HA   ILE   4           HA       ILE   4  -3.814   4.301  -3.396
   19    HB   ILE   4           HB       ILE   4  -3.563   3.168  -0.608
   20   HG12  ILE   4          2HG1      ILE   4  -4.099   1.740  -3.223
   21   HG13  ILE   4          3HG1      ILE   4  -2.592   1.668  -2.317
   22   HG21  ILE   4          1HG2      ILE   4  -5.910   3.381  -2.490
   23   HG22  ILE   4          2HG2      ILE   4  -5.918   2.526  -0.948
   24   HG23  ILE   4          3HG2      ILE   4  -5.682   4.273  -0.985
   25   HD11  ILE   4          1HD1      ILE   4  -5.070   0.205  -1.940
   26   HD12  ILE   4          2HD1      ILE   4  -3.438  -0.156  -1.375
   27   HD13  ILE   4          3HD1      ILE   4  -4.469   0.937  -0.452
   28    H    ILE   5           HN       ILE   5  -1.823   5.452  -0.775
   29    HA   ILE   5           HA       ILE   5  -3.686   7.266   0.353
   30    HB   ILE   5           HB       ILE   5  -0.669   7.244   0.416
   31   HG12  ILE   5          2HG1      ILE   5  -2.765   6.430   2.440
   32   HG13  ILE   5          3HG1      ILE   5  -1.716   5.344   1.536
   33   HG21  ILE   5          1HG2      ILE   5  -1.409   9.512   0.755
   34   HG22  ILE   5          2HG2      ILE   5  -2.607   8.982   1.935
   35   HG23  ILE   5          3HG2      ILE   5  -0.887   8.837   2.298
   36   HD11  ILE   5          1HD1      ILE   5  -0.471   5.410   3.392
   37   HD12  ILE   5          2HD1      ILE   5   0.110   6.938   2.729
   38   HD13  ILE   5          3HD1      ILE   5  -1.175   6.933   3.936
   39    H    AIB   6           HN       AIB   6  -1.596   7.295  -2.435
   40   HB11  AIB   6          1HB1      AIB   6  -1.514   9.157  -5.423
   41   HB12  AIB   6          2HB1      AIB   6  -0.008   9.210  -4.412
   42   HB13  AIB   6          3HB1      AIB   6  -1.023   7.705  -4.452
   43   HB21  AIB   6          1HB2      AIB   6  -1.849  11.098  -2.023
   44   HB22  AIB   6          2HB2      AIB   6  -0.288  10.174  -2.047
   45   HB23  AIB   6          3HB2      AIB   6  -0.760  11.197  -3.470
   46    HA   PRO   7           HA       PRO   7  -5.315  10.120  -5.547
   47    HB2  PRO   7          2HB       PRO   7  -6.841   7.876  -5.619
   48    HB3  PRO   7          3HB       PRO   7  -5.519   8.175  -6.753
   49    HG2  PRO   7          2HG       PRO   7  -5.548   6.489  -4.280
   50    HG3  PRO   7          3HG       PRO   7  -4.838   6.136  -5.866
   51    HD2  PRO   7          2HD       PRO   7  -3.358   6.990  -3.765
   52    HD3  PRO   7          3HD       PRO   7  -2.957   7.400  -5.445
   53    H    LEU   8           HN       LEU   8  -5.129   8.638  -2.455
   54    HA   LEU   8           HA       LEU   8  -7.784   8.756  -1.597
   55    HB2  LEU   8          2HB       LEU   8  -5.223   8.308  -0.442
   56    HB3  LEU   8          3HB       LEU   8  -6.092   9.459   0.570
   57    HG   LEU   8           HG       LEU   8  -6.962   6.667  -0.168
   58   HD11  LEU   8          1HD1      LEU   8  -6.991   6.904   2.552
   59   HD12  LEU   8          2HD1      LEU   8  -5.587   7.874   2.110
   60   HD13  LEU   8          3HD1      LEU   8  -5.687   6.188   1.604
   61   HD21  LEU   8          1HD2      LEU   8  -9.018   7.611  -0.044
   62   HD22  LEU   8          2HD2      LEU   8  -8.455   8.982   0.912
   63   HD23  LEU   8          3HD2      LEU   8  -8.733   7.421   1.686
   64    H    LEU   9           HN       LEU   9  -5.238  11.217  -1.528
   65    HA   LEU   9           HA       LEU   9  -7.295  13.211  -0.838
   66    HB2  LEU   9          2HB       LEU   9  -4.372  13.658  -0.391
   67    HB3  LEU   9          3HB       LEU   9  -5.749  14.436   0.387
   68    HG   LEU   9           HG       LEU   9  -4.802  11.612   0.876
   69   HD11  LEU   9          1HD1      LEU   9  -4.502  12.747   3.224
   70   HD12  LEU   9          2HD1      LEU   9  -4.350  14.212   2.254
   71   HD13  LEU   9          3HD1      LEU   9  -3.244  12.863   1.993
   72   HD21  LEU   9          1HD2      LEU   9  -7.276  12.009   1.069
   73   HD22  LEU   9          2HD2      LEU   9  -6.919  13.160   2.357
   74   HD23  LEU   9          3HD2      LEU   9  -6.484  11.460   2.546
   75    H    AIB  10           HN       AIB  10  -6.356  12.051  -3.464
   76   HB11  AIB  10          1HB1      AIB  10  -6.605  11.801  -5.614
   77   HB12  AIB  10          2HB1      AIB  10  -6.363  13.075  -6.883
   78   HB13  AIB  10          3HB1      AIB  10  -4.934  12.179  -6.211
   79   HB21  AIB  10          1HB2      AIB  10  -4.307  15.162  -4.319
   80   HB22  AIB  10          2HB2      AIB  10  -3.660  13.472  -4.450
   81   HB23  AIB  10          3HB2      AIB  10  -4.045  14.416  -5.951
   82    HA   PRO  11           HA       PRO  11  -8.856  16.132  -6.339
   83    HB2  PRO  11          2HB       PRO  11 -11.188  15.415  -5.148
   84    HB3  PRO  11          3HB       PRO  11 -10.564  14.617  -6.597
   85    HG2  PRO  11          2HG       PRO  11 -10.401  13.749  -3.736
   86    HG3  PRO  11          3HG       PRO  11 -10.766  12.785  -5.179
   87    HD2  PRO  11          2HD       PRO  11  -8.321  12.798  -4.016
   88    HD3  PRO  11          3HD       PRO  11  -8.545  12.590  -5.765
   89    H    DCL  12           HN       DCL  12  -8.092  15.296  -3.094
   90    HA   DCL  12           HA       DCL  12  -9.590  17.480  -1.703
   91    HC1  DCL  12          2HB1      DCL  12  -6.641  18.114  -1.614
   92    HC2  DCL  12          3HB1      DCL  12  -7.443  18.446  -3.208
   93    HB1  DCL  12          2HB       DCL  12  -7.270  15.613  -0.987
   94    HB2  DCL  12          3HB       DCL  12  -7.705  17.001   0.097
   95    HG   DCL  12           HG       DCL  12  -9.679  14.845  -0.861
   96   HD11  DCL  12          1HD1      DCL  12 -11.022  16.663  -0.203
   97   HD12  DCL  12          2HD1      DCL  12 -10.748  15.899   1.421
   98   HD13  DCL  12          3HD1      DCL  12  -9.753  17.330   0.909
   99   HD21  DCL  12          1HD2      DCL  12  -7.601  14.671   1.150
  100   HD22  DCL  12          2HD2      DCL  12  -9.206  14.755   1.993
  101   HD23  DCL  12          3HD2      DCL  12  -8.901  13.472   0.745
  102    HO   DCL  12          4H1       DCL  12  -8.375  20.254  -2.186
  Start of MODEL    3
    1    H1   ACE   1          1H1       ACE   1  -0.116   0.028  -1.108
    2    H2   ACE   1          2H1       ACE   1   0.883   0.037   0.365
    3    H3   ACE   1          3H1       ACE   1  -0.889   0.151   0.491
    4    H    AIB   2           HN       AIB   2   2.129   1.718  -0.038
    5   HB11  AIB   2          1HB1      AIB   2   3.316   5.200   0.097
    6   HB12  AIB   2          2HB1      AIB   2   3.554   3.516   0.728
    7   HB13  AIB   2          3HB1      AIB   2   3.600   3.831  -1.059
    8   HB21  AIB   2          1HB2      AIB   2   1.654   4.713   1.825
    9   HB22  AIB   2          2HB2      AIB   2   0.550   5.570   0.668
   10   HB23  AIB   2          3HB2      AIB   2   0.077   3.955   1.349
   11    H    ASN   3           HN       ASN   3   0.817   2.669  -2.345
   12    HA   ASN   3           HA       ASN   3   0.806   5.036  -3.987
   13    HB2  ASN   3          2HB       ASN   3   0.690   2.165  -4.399
   14    HB3  ASN   3          3HB       ASN   3  -0.499   3.004  -5.392
   15   HD21  ASN   3          1HD2      ASN   3   2.879   2.572  -4.709
   16   HD22  ASN   3          2HD2      ASN   3   3.473   3.330  -6.143
   17    H    ILE   4           HN       ILE   4  -1.437   3.395  -1.996
   18    HA   ILE   4           HA       ILE   4  -3.802   4.319  -3.360
   19    HB   ILE   4           HB       ILE   4  -3.511   3.137  -0.595
   20   HG12  ILE   4          2HG1      ILE   4  -4.424   1.802  -3.150
   21   HG13  ILE   4          3HG1      ILE   4  -2.791   1.671  -2.505
   22   HG21  ILE   4          1HG2      ILE   4  -6.055   2.610  -1.539
   23   HG22  ILE   4          2HG2      ILE   4  -5.617   3.812  -0.327
   24   HG23  ILE   4          3HG2      ILE   4  -5.762   4.281  -2.021
   25   HD11  ILE   4          1HD1      ILE   4  -4.403  -0.225  -2.012
   26   HD12  ILE   4          2HD1      ILE   4  -3.509   0.445  -0.648
   27   HD13  ILE   4          3HD1      ILE   4  -5.197   0.889  -0.900
   28    H    ILE   5           HN       ILE   5  -1.746   5.416  -0.769
   29    HA   ILE   5           HA       ILE   5  -3.523   7.288   0.387
   30    HB   ILE   5           HB       ILE   5  -0.505   7.231   0.351
   31   HG12  ILE   5          2HG1      ILE   5  -1.684   5.324   1.466
   32   HG13  ILE   5          3HG1      ILE   5  -0.684   6.278   2.556
   33   HG21  ILE   5          1HG2      ILE   5  -1.048   9.470   0.800
   34   HG22  ILE   5          2HG2      ILE   5  -2.434   9.023   1.794
   35   HG23  ILE   5          3HG2      ILE   5  -0.797   8.739   2.386
   36   HD11  ILE   5          1HD1      ILE   5  -2.418   6.712   3.856
   37   HD12  ILE   5          2HD1      ILE   5  -3.369   7.298   2.491
   38   HD13  ILE   5          3HD1      ILE   5  -3.355   5.579   2.883
   39    H    AIB   6           HN       AIB   6  -1.502   7.256  -2.454
   40   HB11  AIB   6          1HB1      AIB   6   0.040   9.247  -4.541
   41   HB12  AIB   6          2HB1      AIB   6  -0.829   7.659  -4.409
   42   HB13  AIB   6          3HB1      AIB   6  -1.506   8.982  -5.452
   43   HB21  AIB   6          1HB2      AIB   6  -1.713  11.074  -2.078
   44   HB22  AIB   6          2HB2      AIB   6  -0.164  10.131  -2.098
   45   HB23  AIB   6          3HB2      AIB   6  -0.631  11.139  -3.532
   46    HA   PRO   7           HA       PRO   7  -5.230  10.088  -5.538
   47    HB2  PRO   7          2HB       PRO   7  -6.772   7.854  -5.578
   48    HB3  PRO   7          3HB       PRO   7  -5.462   8.138  -6.730
   49    HG2  PRO   7          2HG       PRO   7  -5.471   6.467  -4.246
   50    HG3  PRO   7          3HG       PRO   7  -4.784   6.100  -5.839
   51    HD2  PRO   7          2HD       PRO   7  -3.272   6.956  -3.763
   52    HD3  PRO   7          3HD       PRO   7  -2.889   7.353  -5.450
   53    H    LEU   8           HN       LEU   8  -5.017   8.620  -2.440
   54    HA   LEU   8           HA       LEU   8  -7.660   8.765  -1.551
   55    HB2  LEU   8          2HB       LEU   8  -5.089   8.297  -0.426
   56    HB3  LEU   8          3HB       LEU   8  -5.936   9.459   0.593
   57    HG   LEU   8           HG       LEU   8  -6.840   6.673  -0.125
   58   HD11  LEU   8          1HD1      LEU   8  -5.413   6.296   1.595
   59   HD12  LEU   8          2HD1      LEU   8  -6.832   6.751   2.537
   60   HD13  LEU   8          3HD1      LEU   8  -5.563   7.935   2.228
   61   HD21  LEU   8          1HD2      LEU   8  -8.820   7.932  -0.075
   62   HD22  LEU   8          2HD2      LEU   8  -8.258   8.924   1.271
   63   HD23  LEU   8          3HD2      LEU   8  -8.685   7.233   1.538
   64    H    LEU   9           HN       LEU   9  -5.092  11.202  -1.528
   65    HA   LEU   9           HA       LEU   9  -7.121  13.218  -0.815
   66    HB2  LEU   9          2HB       LEU   9  -4.268  12.895  -0.029
   67    HB3  LEU   9          3HB       LEU   9  -4.921  14.525  -0.181
   68    HG   LEU   9           HG       LEU   9  -6.543  14.093   1.542
   69   HD11  LEU   9          1HD1      LEU   9  -7.184  11.859   1.201
   70   HD12  LEU   9          2HD1      LEU   9  -6.398  11.879   2.780
   71   HD13  LEU   9          3HD1      LEU   9  -5.530  11.270   1.370
   72   HD21  LEU   9          1HD2      LEU   9  -4.193  14.715   2.156
   73   HD22  LEU   9          2HD2      LEU   9  -3.897  13.008   2.488
   74   HD23  LEU   9          3HD2      LEU   9  -5.101  13.893   3.425
   75    H    AIB  10           HN       AIB  10  -6.228  12.037  -3.450
   76   HB11  AIB  10          1HB1      AIB  10  -4.833  12.227  -6.301
   77   HB12  AIB  10          2HB1      AIB  10  -6.410  11.724  -5.557
   78   HB13  AIB  10          3HB1      AIB  10  -6.378  13.017  -6.830
   79   HB21  AIB  10          1HB2      AIB  10  -3.916  14.324  -5.982
   80   HB22  AIB  10          2HB2      AIB  10  -4.181  15.156  -4.393
   81   HB23  AIB  10          3HB2      AIB  10  -3.544  13.458  -4.433
   82    HA   PRO  11           HA       PRO  11  -8.739  16.120  -6.312
   83    HB2  PRO  11          2HB       PRO  11 -11.061  15.421  -5.090
   84    HB3  PRO  11          3HB       PRO  11 -10.459  14.614  -6.543
   85    HG2  PRO  11          2HG       PRO  11 -10.267  13.755  -3.682
   86    HG3  PRO  11          3HG       PRO  11 -10.655  12.788  -5.117
   87    HD2  PRO  11          2HD       PRO  11  -8.196  12.791  -3.984
   88    HD3  PRO  11          3HD       PRO  11  -8.443  12.578  -5.729
   89    H    DCL  12           HN       DCL  12  -8.121  15.213  -3.016
   90    HA   DCL  12           HA       DCL  12  -9.504  17.528  -1.710
   91    HC1  DCL  12          2HB1      DCL  12  -6.451  17.771  -1.627
   92    HC2  DCL  12          3HB1      DCL  12  -7.345  18.442  -3.057
   93    HB1  DCL  12          2HB       DCL  12  -7.389  15.482  -0.836
   94    HB2  DCL  12          3HB       DCL  12  -7.855  16.876   0.227
   95    HG   DCL  12           HG       DCL  12  -9.831  14.836  -0.955
   96   HD11  DCL  12          1HD1      DCL  12 -11.183  16.663  -0.396
   97   HD12  DCL  12          2HD1      DCL  12 -11.026  15.950   1.266
   98   HD13  DCL  12          3HD1      DCL  12  -9.965  17.337   0.767
   99   HD21  DCL  12          1HD2      DCL  12  -8.529  13.575   0.598
  100   HD22  DCL  12          2HD2      DCL  12  -8.402  14.968   1.755
  101   HD23  DCL  12          3HD2      DCL  12  -9.988  14.112   1.533
  102    HO   DCL  12          4H1       DCL  12  -7.927  20.165  -1.687
  Start of MODEL    4
    1    H1   ACE   1          1H1       ACE   1  -0.844   0.006  -0.319
    2    H2   ACE   1          2H1       ACE   1   0.894  -0.016  -0.703
    3    H3   ACE   1          3H1       ACE   1   0.358   0.018   0.994
    4    H    AIB   2           HN       AIB   2   2.219   1.756   0.048
    5   HB11  AIB   2          1HB1      AIB   2   3.684   3.378  -0.301
    6   HB12  AIB   2          2HB1      AIB   2   3.315   5.151  -0.423
    7   HB13  AIB   2          3HB1      AIB   2   3.336   4.337   1.199
    8   HB21  AIB   2          1HB2      AIB   2  -0.258   4.522   0.922
    9   HB22  AIB   2          2HB2      AIB   2   1.017   3.943   2.076
   10   HB23  AIB   2          3HB2      AIB   2   1.173   5.573   1.291
   11    H    ASN   3           HN       ASN   3   0.823   2.685  -2.194
   12    HA   ASN   3           HA       ASN   3   0.839   5.047  -3.838
   13    HB2  ASN   3          2HB       ASN   3   0.288   2.141  -4.280
   14    HB3  ASN   3          3HB       ASN   3  -0.276   3.303  -5.477
   15   HD21  ASN   3          1HD2      ASN   3   1.779   1.211  -5.636
   16   HD22  ASN   3          2HD2      ASN   3   3.225   2.016  -6.131
   17    H    ILE   4           HN       ILE   4  -1.435   3.435  -1.860
   18    HA   ILE   4           HA       ILE   4  -3.784   4.368  -3.244
   19    HB   ILE   4           HB       ILE   4  -3.606   3.303  -0.426
   20   HG12  ILE   4          2HG1      ILE   4  -2.627   1.682  -1.962
   21   HG13  ILE   4          3HG1      ILE   4  -4.199   1.113  -1.411
   22   HG21  ILE   4          1HG2      ILE   4  -5.830   3.876  -2.325
   23   HG22  ILE   4          2HG2      ILE   4  -6.000   2.555  -1.171
   24   HG23  ILE   4          3HG2      ILE   4  -5.716   4.197  -0.595
   25   HD11  ILE   4          1HD1      ILE   4  -5.180   1.931  -3.528
   26   HD12  ILE   4          2HD1      ILE   4  -3.557   2.349  -4.075
   27   HD13  ILE   4          3HD1      ILE   4  -3.972   0.667  -3.750
   28    H    ILE   5           HN       ILE   5  -1.716   5.496  -0.682
   29    HA   ILE   5           HA       ILE   5  -3.474   7.378   0.477
   30    HB   ILE   5           HB       ILE   5  -0.461   7.274   0.383
   31   HG12  ILE   5          2HG1      ILE   5  -1.792   5.514   1.651
   32   HG13  ILE   5          3HG1      ILE   5  -0.597   6.403   2.589
   33   HG21  ILE   5          1HG2      ILE   5  -0.849   9.544   0.711
   34   HG22  ILE   5          2HG2      ILE   5  -2.300   9.257   1.670
   35   HG23  ILE   5          3HG2      ILE   5  -0.710   8.915   2.353
   36   HD11  ILE   5          1HD1      ILE   5  -3.264   7.596   2.613
   37   HD12  ILE   5          2HD1      ILE   5  -3.173   5.986   3.329
   38   HD13  ILE   5          3HD1      ILE   5  -2.142   7.282   3.937
   39    H    AIB   6           HN       AIB   6  -1.496   7.327  -2.400
   40   HB11  AIB   6          1HB1      AIB   6  -0.027   9.349  -4.553
   41   HB12  AIB   6          2HB1      AIB   6  -0.806   7.723  -4.343
   42   HB13  AIB   6          3HB1      AIB   6  -1.576   8.968  -5.418
   43   HB21  AIB   6          1HB2      AIB   6  -0.729  11.221  -3.545
   44   HB22  AIB   6          2HB2      AIB   6  -1.778  11.137  -2.067
   45   HB23  AIB   6          3HB2      AIB   6  -0.202  10.238  -2.115
   46    HA   PRO   7           HA       PRO   7  -5.305  10.029  -5.497
   47    HB2  PRO   7          2HB       PRO   7  -6.795   7.759  -5.493
   48    HB3  PRO   7          3HB       PRO   7  -5.500   8.056  -6.659
   49    HG2  PRO   7          2HG       PRO   7  -5.452   6.422  -4.152
   50    HG3  PRO   7          3HG       PRO   7  -4.768   6.047  -5.745
   51    HD2  PRO   7          2HD       PRO   7  -3.262   6.968  -3.692
   52    HD3  PRO   7          3HD       PRO   7  -2.900   7.349  -5.388
   53    H    LEU   8           HN       LEU   8  -5.033   8.615  -2.380
   54    HA   LEU   8           HA       LEU   8  -7.672   8.706  -1.470
   55    HB2  LEU   8          2HB       LEU   8  -5.080   8.327  -0.359
   56    HB3  LEU   8          3HB       LEU   8  -5.950   9.484   0.647
   57    HG   LEU   8           HG       LEU   8  -6.783   6.663  -0.015
   58   HD11  LEU   8          1HD1      LEU   8  -5.038   6.834   1.675
   59   HD12  LEU   8          2HD1      LEU   8  -6.564   6.323   2.394
   60   HD13  LEU   8          3HD1      LEU   8  -6.015   7.988   2.583
   61   HD21  LEU   8          1HD2      LEU   8  -8.802   7.843   0.033
   62   HD22  LEU   8          2HD2      LEU   8  -8.255   8.909   1.328
   63   HD23  LEU   8          3HD2      LEU   8  -8.623   7.218   1.672
   64    H    LEU   9           HN       LEU   9  -5.168  11.211  -1.503
   65    HA   LEU   9           HA       LEU   9  -7.247  13.184  -0.815
   66    HB2  LEU   9          2HB       LEU   9  -4.324  13.691  -0.434
   67    HB3  LEU   9          3HB       LEU   9  -5.699  14.461   0.354
   68    HG   LEU   9           HG       LEU   9  -4.692  11.666   0.884
   69   HD11  LEU   9          1HD1      LEU   9  -3.294  13.619   1.690
   70   HD12  LEU   9          2HD1      LEU   9  -3.833  12.476   2.919
   71   HD13  LEU   9          3HD1      LEU   9  -4.651  14.028   2.740
   72   HD21  LEU   9          1HD2      LEU   9  -7.170  12.022   1.113
   73   HD22  LEU   9          2HD2      LEU   9  -6.811  13.204   2.372
   74   HD23  LEU   9          3HD2      LEU   9  -6.341  11.516   2.585
   75    H    AIB  10           HN       AIB  10  -6.337  11.984  -3.434
   76   HB11  AIB  10          1HB1      AIB  10  -6.622  11.685  -5.572
   77   HB12  AIB  10          2HB1      AIB  10  -6.429  12.936  -6.872
   78   HB13  AIB  10          3HB1      AIB  10  -4.971  12.080  -6.212
   79   HB21  AIB  10          1HB2      AIB  10  -3.697  13.463  -4.434
   80   HB22  AIB  10          2HB2      AIB  10  -4.085  14.263  -6.016
   81   HB23  AIB  10          3HB2      AIB  10  -4.375  15.145  -4.456
   82    HA   PRO  11           HA       PRO  11  -8.960  15.963  -6.343
   83    HB2  PRO  11          2HB       PRO  11 -11.257  15.234  -5.093
   84    HB3  PRO  11          3HB       PRO  11 -10.647  14.416  -6.536
   85    HG2  PRO  11          2HG       PRO  11 -10.415  13.610  -3.662
   86    HG3  PRO  11          3HG       PRO  11 -10.792  12.610  -5.077
   87    HD2  PRO  11          2HD       PRO  11  -8.325  12.688  -3.963
   88    HD3  PRO  11          3HD       PRO  11  -8.580  12.440  -5.702
   89    H    DCL  12           HN       DCL  12  -8.123  15.207  -3.097
   90    HA   DCL  12           HA       DCL  12  -9.629  17.396  -1.722
   91    HC1  DCL  12          2HB1      DCL  12  -6.611  17.940  -2.047
   92    HC2  DCL  12          3HB1      DCL  12  -7.817  18.601  -3.231
   93    HB1  DCL  12          2HB       DCL  12  -7.264  15.583  -1.014
   94    HB2  DCL  12          3HB       DCL  12  -7.703  16.985   0.050
   95    HG   DCL  12           HG       DCL  12  -9.658  14.778  -0.825
   96   HD11  DCL  12          1HD1      DCL  12  -9.727  17.256   0.980
   97   HD12  DCL  12          2HD1      DCL  12 -10.967  16.661  -0.205
   98   HD13  DCL  12          3HD1      DCL  12 -10.766  15.827   1.396
   99   HD21  DCL  12          1HD2      DCL  12  -8.708  13.452   0.735
  100   HD22  DCL  12          2HD2      DCL  12  -7.567  14.771   1.237
  101   HD23  DCL  12          3HD2      DCL  12  -9.216  14.661   1.989
  102    HO   DCL  12          4H1       DCL  12  -8.275  20.173  -1.651
  Start of MODEL    5
    1    H1   ACE   1          1H1       ACE   1  -0.445  -0.016   0.766
    2    H2   ACE   1          2H1       ACE   1  -0.325  -0.016  -1.010
    3    H3   ACE   1          3H1       ACE   1   1.153  -0.028  -0.018
    4    H    AIB   2           HN       AIB   2   2.206   1.734   0.053
    5   HB11  AIB   2          1HB1      AIB   2   3.282   4.341   1.273
    6   HB12  AIB   2          2HB1      AIB   2   3.676   3.343  -0.190
    7   HB13  AIB   2          3HB1      AIB   2   3.318   5.114  -0.368
    8   HB21  AIB   2          1HB2      AIB   2  -0.295   4.480   0.916
    9   HB22  AIB   2          2HB2      AIB   2   0.953   3.883   2.089
   10   HB23  AIB   2          3HB2      AIB   2   1.125   5.527   1.338
   11    H    ASN   3           HN       ASN   3   0.865   2.701  -2.206
   12    HA   ASN   3           HA       ASN   3   0.917   5.093  -3.806
   13    HB2  ASN   3          2HB       ASN   3   0.754   2.222  -4.267
   14    HB3  ASN   3          3HB       ASN   3  -0.347   3.122  -5.306
   15   HD21  ASN   3          1HD2      ASN   3   1.029   2.325  -7.021
   16   HD22  ASN   3          2HD2      ASN   3   2.481   3.180  -7.406
   17    H    ILE   4           HN       ILE   4  -1.403   3.443  -1.914
   18    HA   ILE   4           HA       ILE   4  -3.718   4.397  -3.338
   19    HB   ILE   4           HB       ILE   4  -3.553   3.233  -0.556
   20   HG12  ILE   4          2HG1      ILE   4  -4.205   1.865  -3.175
   21   HG13  ILE   4          3HG1      ILE   4  -2.674   1.718  -2.318
   22   HG21  ILE   4          1HG2      ILE   4  -5.891   3.575  -2.429
   23   HG22  ILE   4          2HG2      ILE   4  -5.936   2.756  -0.869
   24   HG23  ILE   4          3HG2      ILE   4  -5.602   4.485  -0.946
   25   HD11  ILE   4          1HD1      ILE   4  -3.823   0.690  -0.435
   26   HD12  ILE   4          2HD1      ILE   4  -5.363   0.854  -1.279
   27   HD13  ILE   4          3HD1      ILE   4  -4.109  -0.203  -1.928
   28    H    ILE   5           HN       ILE   5  -1.715   5.482  -0.707
   29    HA   ILE   5           HA       ILE   5  -3.504   7.342   0.443
   30    HB   ILE   5           HB       ILE   5  -0.490   7.242   0.421
   31   HG12  ILE   5          2HG1      ILE   5  -1.848   5.458   1.623
   32   HG13  ILE   5          3HG1      ILE   5  -0.678   6.331   2.607
   33   HG21  ILE   5          1HG2      ILE   5  -0.751   9.470   0.856
   34   HG22  ILE   5          2HG2      ILE   5  -2.358   9.259   1.548
   35   HG23  ILE   5          3HG2      ILE   5  -0.930   8.823   2.487
   36   HD11  ILE   5          1HD1      ILE   5  -3.585   7.069   2.487
   37   HD12  ILE   5          2HD1      ILE   5  -2.920   5.929   3.658
   38   HD13  ILE   5          3HD1      ILE   5  -2.370   7.605   3.648
   39    H    AIB   6           HN       AIB   6  -1.456   7.344  -2.386
   40   HB11  AIB   6          1HB1      AIB   6  -0.898   7.752  -4.418
   41   HB12  AIB   6          2HB1      AIB   6  -1.357   9.221  -5.380
   42   HB13  AIB   6          3HB1      AIB   6   0.134   9.242  -4.344
   43   HB21  AIB   6          1HB2      AIB   6  -1.758  11.159  -2.009
   44   HB22  AIB   6          2HB2      AIB   6  -0.188  10.250  -1.999
   45   HB23  AIB   6          3HB2      AIB   6  -0.650  11.249  -3.442
   46    HA   PRO   7           HA       PRO   7  -5.191  10.097  -5.526
   47    HB2  PRO   7          2HB       PRO   7  -6.678   7.826  -5.599
   48    HB3  PRO   7          3HB       PRO   7  -5.356   8.146  -6.727
   49    HG2  PRO   7          2HG       PRO   7  -5.367   6.466  -4.249
   50    HG3  PRO   7          3HG       PRO   7  -4.644   6.121  -5.831
   51    HD2  PRO   7          2HD       PRO   7  -3.189   7.007  -3.726
   52    HD3  PRO   7          3HD       PRO   7  -2.787   7.418  -5.406
   53    H    LEU   8           HN       LEU   8  -4.994   8.628  -2.428
   54    HA   LEU   8           HA       LEU   8  -7.654   8.700  -1.582
   55    HB2  LEU   8          2HB       LEU   8  -5.090   8.304  -0.415
   56    HB3  LEU   8          3HB       LEU   8  -5.986   9.442   0.590
   57    HG   LEU   8           HG       LEU   8  -6.799   6.632  -0.143
   58   HD11  LEU   8          1HD1      LEU   8  -5.468   6.228   1.621
   59   HD12  LEU   8          2HD1      LEU   8  -6.847   6.807   2.554
   60   HD13  LEU   8          3HD1      LEU   8  -5.516   7.901   2.177
   61   HD21  LEU   8          1HD2      LEU   8  -8.672   7.171   1.528
   62   HD22  LEU   8          2HD2      LEU   8  -8.827   7.783  -0.119
   63   HD23  LEU   8          3HD2      LEU   8  -8.309   8.861   1.179
   64    H    LEU   9           HN       LEU   9  -5.154  11.208  -1.508
   65    HA   LEU   9           HA       LEU   9  -7.251  13.166  -0.837
   66    HB2  LEU   9          2HB       LEU   9  -4.340  13.668  -0.375
   67    HB3  LEU   9          3HB       LEU   9  -5.735  14.423   0.393
   68    HG   LEU   9           HG       LEU   9  -4.748  11.615   0.894
   69   HD11  LEU   9          1HD1      LEU   9  -4.762  13.830   2.898
   70   HD12  LEU   9          2HD1      LEU   9  -3.430  13.684   1.752
   71   HD13  LEU   9          3HD1      LEU   9  -3.791  12.357   2.856
   72   HD21  LEU   9          1HD2      LEU   9  -7.223  11.972   1.089
   73   HD22  LEU   9          2HD2      LEU   9  -6.887  13.151   2.358
   74   HD23  LEU   9          3HD2      LEU   9  -6.425  11.462   2.577
   75    H    AIB  10           HN       AIB  10  -6.276  12.015  -3.454
   76   HB11  AIB  10          1HB1      AIB  10  -6.276  13.030  -6.879
   77   HB12  AIB  10          2HB1      AIB  10  -4.843  12.155  -6.190
   78   HB13  AIB  10          3HB1      AIB  10  -6.516  11.759  -5.607
   79   HB21  AIB  10          1HB2      AIB  10  -3.967  14.349  -5.938
   80   HB22  AIB  10          2HB2      AIB  10  -4.290  15.190  -4.364
   81   HB23  AIB  10          3HB2      AIB  10  -3.612  13.507  -4.372
   82    HA   PRO  11           HA       PRO  11  -8.831  16.043  -6.355
   83    HB2  PRO  11          2HB       PRO  11 -11.157  15.290  -5.175
   84    HB3  PRO  11          3HB       PRO  11 -10.511  14.498  -6.617
   85    HG2  PRO  11          2HG       PRO  11 -10.349  13.641  -3.753
   86    HG3  PRO  11          3HG       PRO  11 -10.689  12.667  -5.195
   87    HD2  PRO  11          2HD       PRO  11  -8.251  12.726  -4.019
   88    HD3  PRO  11          3HD       PRO  11  -8.462  12.509  -5.768
   89    H    DCL  12           HN       DCL  12  -8.068  15.233  -3.105
   90    HA   DCL  12           HA       DCL  12  -9.611  17.396  -1.729
   91    HC1  DCL  12          2HB1      DCL  12  -6.663  18.063  -1.647
   92    HC2  DCL  12          3HB1      DCL  12  -7.492  18.407  -3.224
   93    HB1  DCL  12          2HB       DCL  12  -7.266  15.568  -0.993
   94    HB2  DCL  12          3HB       DCL  12  -7.731  16.952   0.085
   95    HG   DCL  12           HG       DCL  12  -9.664  14.762  -0.880
   96   HD11  DCL  12          1HD1      DCL  12  -9.781  17.217   0.950
   97   HD12  DCL  12          2HD1      DCL  12 -10.998  16.620  -0.257
   98   HD13  DCL  12          3HD1      DCL  12 -10.817  15.779   1.342
   99   HD21  DCL  12          1HD2      DCL  12  -7.669  14.790   1.318
  100   HD22  DCL  12          2HD2      DCL  12  -9.364  14.511   1.903
  101   HD23  DCL  12          3HD2      DCL  12  -8.648  13.422   0.639
  102    HO   DCL  12          4H1       DCL  12  -8.429  20.191  -2.165
  Start of MODEL    6
    1    H1   ACE   1          1H1       ACE   1   0.971   0.046   0.491
    2    H2   ACE   1          2H1       ACE   1  -0.807   0.059   0.398
    3    H3   ACE   1          3H1       ACE   1   0.162   0.009  -1.095
    4    H    AIB   2           HN       AIB   2   2.192   1.792  -0.042
    5   HB11  AIB   2          1HB1      AIB   2   3.506   3.676   0.815
    6   HB12  AIB   2          2HB1      AIB   2   3.563   3.964  -0.976
    7   HB13  AIB   2          3HB1      AIB   2   3.193   5.336   0.154
    8   HB21  AIB   2          1HB2      AIB   2   0.109   3.842   1.481
    9   HB22  AIB   2          2HB2      AIB   2   1.567   4.861   1.835
   10   HB23  AIB   2          3HB2      AIB   2   0.286   5.471   0.703
   11    H    ASN   3           HN       ASN   3   0.798   2.706  -2.296
   12    HA   ASN   3           HA       ASN   3   0.716   5.080  -3.925
   13    HB2  ASN   3          2HB       ASN   3   0.208   2.161  -4.400
   14    HB3  ASN   3          3HB       ASN   3  -0.307   3.347  -5.596
   15   HD21  ASN   3          1HD2      ASN   3   2.555   2.884  -3.543
   16   HD22  ASN   3          2HD2      ASN   3   3.705   3.049  -4.822
   17    H    ILE   4           HN       ILE   4  -1.473   3.373  -1.933
   18    HA   ILE   4           HA       ILE   4  -3.871   4.217  -3.286
   19    HB   ILE   4           HB       ILE   4  -3.606   3.147  -0.476
   20   HG12  ILE   4          2HG1      ILE   4  -2.617   1.570  -2.053
   21   HG13  ILE   4          3HG1      ILE   4  -4.155   0.949  -1.463
   22   HG21  ILE   4          1HG2      ILE   4  -5.830   4.035  -2.090
   23   HG22  ILE   4          2HG2      ILE   4  -6.019   2.351  -1.606
   24   HG23  ILE   4          3HG2      ILE   4  -5.782   3.598  -0.382
   25   HD11  ILE   4          1HD1      ILE   4  -4.118   0.497  -3.762
   26   HD12  ILE   4          2HD1      ILE   4  -5.177   1.895  -3.578
   27   HD13  ILE   4          3HD1      ILE   4  -3.525   2.110  -4.154
   28    H    ILE   5           HN       ILE   5  -1.838   5.403  -0.714
   29    HA   ILE   5           HA       ILE   5  -3.676   7.246   0.407
   30    HB   ILE   5           HB       ILE   5  -0.658   7.210   0.429
   31   HG12  ILE   5          2HG1      ILE   5  -2.730   6.439   2.495
   32   HG13  ILE   5          3HG1      ILE   5  -1.698   5.334   1.595
   33   HG21  ILE   5          1HG2      ILE   5  -1.385   9.486   0.739
   34   HG22  ILE   5          2HG2      ILE   5  -2.567   8.982   1.946
   35   HG23  ILE   5          3HG2      ILE   5  -0.843   8.836   2.286
   36   HD11  ILE   5          1HD1      ILE   5  -0.605   5.459   3.601
   37   HD12  ILE   5          2HD1      ILE   5   0.229   6.712   2.681
   38   HD13  ILE   5          3HD1      ILE   5  -1.019   7.156   3.846
   39    H    AIB   6           HN       AIB   6  -1.625   7.215  -2.409
   40   HB11  AIB   6          1HB1      AIB   6  -1.557   9.050  -5.430
   41   HB12  AIB   6          2HB1      AIB   6  -0.047   9.062  -4.425
   42   HB13  AIB   6          3HB1      AIB   6  -1.104   7.587  -4.459
   43   HB21  AIB   6          1HB2      AIB   6  -0.775  11.090  -3.524
   44   HB22  AIB   6          2HB2      AIB   6  -1.853  11.030  -2.066
   45   HB23  AIB   6          3HB2      AIB   6  -0.300  10.091  -2.086
   46    HA   PRO   7           HA       PRO   7  -5.373  10.005  -5.518
   47    HB2  PRO   7          2HB       PRO   7  -6.911   7.769  -5.530
   48    HB3  PRO   7          3HB       PRO   7  -5.603   8.041  -6.687
   49    HG2  PRO   7          2HG       PRO   7  -5.606   6.399  -4.184
   50    HG3  PRO   7          3HG       PRO   7  -4.921   6.014  -5.774
   51    HD2  PRO   7          2HD       PRO   7  -3.407   6.897  -3.709
   52    HD3  PRO   7          3HD       PRO   7  -3.027   7.275  -5.402
   53    H    LEU   8           HN       LEU   8  -5.151   8.577  -2.404
   54    HA   LEU   8           HA       LEU   8  -7.793   8.723  -1.510
   55    HB2  LEU   8          2HB       LEU   8  -5.217   8.284  -0.384
   56    HB3  LEU   8          3HB       LEU   8  -6.067   9.458   0.619
   57    HG   LEU   8           HG       LEU   8  -6.960   6.657  -0.054
   58   HD11  LEU   8          1HD1      LEU   8  -6.947   6.776   2.606
   59   HD12  LEU   8          2HD1      LEU   8  -5.684   7.961   2.277
   60   HD13  LEU   8          3HD1      LEU   8  -5.527   6.314   1.667
   61   HD21  LEU   8          1HD2      LEU   8  -8.686   7.488   1.832
   62   HD22  LEU   8          2HD2      LEU   8  -9.017   7.575   0.102
   63   HD23  LEU   8          3HD2      LEU   8  -8.435   9.001   0.962
   64    H    LEU   9           HN       LEU   9  -5.235  11.173  -1.518
   65    HA   LEU   9           HA       LEU   9  -7.275  13.189  -0.840
   66    HB2  LEU   9          2HB       LEU   9  -4.316  13.205  -0.271
   67    HB3  LEU   9          3HB       LEU   9  -5.403  14.559   0.030
   68    HG   LEU   9           HG       LEU   9  -6.538  12.390   1.380
   69   HD11  LEU   9          1HD1      LEU   9  -3.760  12.531   2.390
   70   HD12  LEU   9          2HD1      LEU   9  -4.048  11.543   0.959
   71   HD13  LEU   9          3HD1      LEU   9  -4.927  11.210   2.452
   72   HD21  LEU   9          1HD2      LEU   9  -4.772  14.402   2.714
   73   HD22  LEU   9          2HD2      LEU   9  -6.323  13.749   3.242
   74   HD23  LEU   9          3HD2      LEU   9  -6.260  14.910   1.915
   75    H    AIB  10           HN       AIB  10  -6.371  11.977  -3.456
   76   HB11  AIB  10          1HB1      AIB  10  -6.630  11.678  -5.585
   77   HB12  AIB  10          2HB1      AIB  10  -6.453  12.937  -6.880
   78   HB13  AIB  10          3HB1      AIB  10  -4.988  12.070  -6.249
   79   HB21  AIB  10          1HB2      AIB  10  -3.689  13.381  -4.455
   80   HB22  AIB  10          2HB2      AIB  10  -4.059  14.228  -6.016
   81   HB23  AIB  10          3HB2      AIB  10  -4.323  15.081  -4.436
   82    HA   PRO  11           HA       PRO  11  -8.880  16.033  -6.364
   83    HB2  PRO  11          2HB       PRO  11 -11.201  15.360  -5.126
   84    HB3  PRO  11          3HB       PRO  11 -10.606  14.530  -6.569
   85    HG2  PRO  11          2HG       PRO  11 -10.408  13.711  -3.697
   86    HG3  PRO  11          3HG       PRO  11 -10.804  12.725  -5.117
   87    HD2  PRO  11          2HD       PRO  11  -8.342  12.735  -3.990
   88    HD3  PRO  11          3HD       PRO  11  -8.594  12.499  -5.732
   89    H    DCL  12           HN       DCL  12  -8.093  15.239  -3.110
   90    HA   DCL  12           HA       DCL  12  -9.531  17.509  -1.773
   91    HC1  DCL  12          2HB1      DCL  12  -6.475  17.792  -2.223
   92    HC2  DCL  12          3HB1      DCL  12  -7.740  18.750  -3.102
   93    HB1  DCL  12          2HB       DCL  12  -7.315  15.547  -0.977
   94    HB2  DCL  12          3HB       DCL  12  -7.728  16.964   0.079
   95    HG   DCL  12           HG       DCL  12  -9.752  14.870  -0.911
   96   HD11  DCL  12          1HD1      DCL  12 -10.489  16.245   1.541
   97   HD12  DCL  12          2HD1      DCL  12  -9.926  17.505   0.363
   98   HD13  DCL  12          3HD1      DCL  12 -11.274  16.376  -0.090
   99   HD21  DCL  12          1HD2      DCL  12  -9.526  13.672   1.072
  100   HD22  DCL  12          2HD2      DCL  12  -7.808  14.191   0.805
  101   HD23  DCL  12          3HD2      DCL  12  -8.856  15.089   1.984
  102    HO   DCL  12          4H1       DCL  12  -7.790  20.083  -1.257
  Start of MODEL    7
    1    H1   ACE   1          1H1       ACE   1   0.928  -0.047   0.644
    2    H2   ACE   1          2H1       ACE   1  -0.841  -0.029   0.446
    3    H3   ACE   1          3H1       ACE   1   0.215  -0.065  -0.987
    4    H    AIB   2           HN       AIB   2   2.188   1.701   0.113
    5   HB11  AIB   2          1HB1      AIB   2   3.538   3.377   0.832
    6   HB12  AIB   2          2HB1      AIB   2   3.540   4.167  -0.801
    7   HB13  AIB   2          3HB1      AIB   2   3.177   5.148   0.682
    8   HB21  AIB   2          1HB2      AIB   2   0.970   3.887   2.131
    9   HB22  AIB   2          2HB2      AIB   2   1.142   5.517   1.354
   10   HB23  AIB   2          3HB2      AIB   2  -0.291   4.472   0.966
   11    H    ASN   3           HN       ASN   3   0.816   2.635  -2.141
   12    HA   ASN   3           HA       ASN   3   0.852   4.999  -3.782
   13    HB2  ASN   3          2HB       ASN   3   0.246   2.100  -4.246
   14    HB3  ASN   3          3HB       ASN   3  -0.215   3.292  -5.458
   15   HD21  ASN   3          1HD2      ASN   3   1.190   2.903  -7.047
   16   HD22  ASN   3          2HD2      ASN   3   2.909   2.959  -6.885
   17    H    ILE   4           HN       ILE   4  -1.444   3.390  -1.827
   18    HA   ILE   4           HA       ILE   4  -3.777   4.329  -3.232
   19    HB   ILE   4           HB       ILE   4  -3.626   3.260  -0.414
   20   HG12  ILE   4          2HG1      ILE   4  -2.642   1.641  -1.952
   21   HG13  ILE   4          3HG1      ILE   4  -4.217   1.075  -1.405
   22   HG21  ILE   4          1HG2      ILE   4  -5.771   4.193  -2.118
   23   HG22  ILE   4          2HG2      ILE   4  -6.028   2.531  -1.589
   24   HG23  ILE   4          3HG2      ILE   4  -5.784   3.808  -0.397
   25   HD11  ILE   4          1HD1      ILE   4  -4.798   0.799  -3.516
   26   HD12  ILE   4          2HD1      ILE   4  -4.665   2.541  -3.758
   27   HD13  ILE   4          3HD1      ILE   4  -3.274   1.500  -4.060
   28    H    ILE   5           HN       ILE   5  -1.731   5.451  -0.651
   29    HA   ILE   5           HA       ILE   5  -3.495   7.337   0.494
   30    HB   ILE   5           HB       ILE   5  -0.483   7.226   0.428
   31   HG12  ILE   5          2HG1      ILE   5  -1.828   5.468   1.681
   32   HG13  ILE   5          3HG1      ILE   5  -0.640   6.353   2.631
   33   HG21  ILE   5          1HG2      ILE   5  -2.328   9.266   1.558
   34   HG22  ILE   5          2HG2      ILE   5  -0.879   8.844   2.469
   35   HG23  ILE   5          3HG2      ILE   5  -0.737   9.464   0.824
   36   HD11  ILE   5          1HD1      ILE   5  -3.432   7.361   2.567
   37   HD12  ILE   5          2HD1      ILE   5  -3.067   5.926   3.525
   38   HD13  ILE   5          3HD1      ILE   5  -2.226   7.441   3.851
   39    H    AIB   6           HN       AIB   6  -1.492   7.283  -2.366
   40   HB11  AIB   6          1HB1      AIB   6  -0.817   7.671  -4.321
   41   HB12  AIB   6          2HB1      AIB   6  -1.521   8.960  -5.386
   42   HB13  AIB   6          3HB1      AIB   6   0.019   9.274  -4.479
   43   HB21  AIB   6          1HB2      AIB   6  -1.776  11.107  -2.053
   44   HB22  AIB   6          2HB2      AIB   6  -0.210  10.191  -2.045
   45   HB23  AIB   6          3HB2      AIB   6  -0.686  11.164  -3.501
   46    HA   PRO   7           HA       PRO   7  -5.265   9.995  -5.495
   47    HB2  PRO   7          2HB       PRO   7  -6.760   7.729  -5.507
   48    HB3  PRO   7          3HB       PRO   7  -5.454   8.024  -6.661
   49    HG2  PRO   7          2HG       PRO   7  -5.433   6.387  -4.154
   50    HG3  PRO   7          3HG       PRO   7  -4.735   6.013  -5.741
   51    HD2  PRO   7          2HD       PRO   7  -3.246   6.929  -3.674
   52    HD3  PRO   7          3HD       PRO   7  -2.868   7.311  -5.366
   53    H    LEU   8           HN       LEU   8  -5.026   8.577  -2.377
   54    HA   LEU   8           HA       LEU   8  -7.672   8.673  -1.491
   55    HB2  LEU   8          2HB       LEU   8  -5.092   8.290  -0.357
   56    HB3  LEU   8          3HB       LEU   8  -5.968   9.449   0.641
   57    HG   LEU   8           HG       LEU   8  -6.802   6.629  -0.027
   58   HD11  LEU   8          1HD1      LEU   8  -6.806   6.919   2.686
   59   HD12  LEU   8          2HD1      LEU   8  -5.426   7.909   2.211
   60   HD13  LEU   8          3HD1      LEU   8  -5.497   6.211   1.739
   61   HD21  LEU   8          1HD2      LEU   8  -8.619   7.262   1.723
   62   HD22  LEU   8          2HD2      LEU   8  -8.842   7.704   0.030
   63   HD23  LEU   8          3HD2      LEU   8  -8.293   8.912   1.193
   64    H    LEU   9           HN       LEU   9  -5.164  11.174  -1.496
   65    HA   LEU   9           HA       LEU   9  -7.246  13.150  -0.831
   66    HB2  LEU   9          2HB       LEU   9  -4.290  13.229  -0.252
   67    HB3  LEU   9          3HB       LEU   9  -5.407  14.560   0.045
   68    HG   LEU   9           HG       LEU   9  -6.500  12.368   1.393
   69   HD11  LEU   9          1HD1      LEU   9  -4.880  11.167   2.382
   70   HD12  LEU   9          2HD1      LEU   9  -3.783  12.543   2.498
   71   HD13  LEU   9          3HD1      LEU   9  -3.925  11.654   0.981
   72   HD21  LEU   9          1HD2      LEU   9  -6.273  14.895   1.926
   73   HD22  LEU   9          2HD2      LEU   9  -4.779  14.416   2.733
   74   HD23  LEU   9          3HD2      LEU   9  -6.321  13.734   3.253
   75    H    AIB  10           HN       AIB  10  -6.308  11.951  -3.440
   76   HB11  AIB  10          1HB1      AIB  10  -6.363  12.911  -6.880
   77   HB12  AIB  10          2HB1      AIB  10  -4.921  12.040  -6.204
   78   HB13  AIB  10          3HB1      AIB  10  -6.585  11.661  -5.584
   79   HB21  AIB  10          1HB2      AIB  10  -4.321  15.104  -4.445
   80   HB22  AIB  10          2HB2      AIB  10  -3.654  13.417  -4.411
   81   HB23  AIB  10          3HB2      AIB  10  -4.022  14.217  -5.998
   82    HA   PRO  11           HA       PRO  11  -8.883  15.952  -6.367
   83    HB2  PRO  11          2HB       PRO  11 -11.195  15.238  -5.136
   84    HB3  PRO  11          3HB       PRO  11 -10.579  14.417  -6.575
   85    HG2  PRO  11          2HG       PRO  11 -10.377  13.608  -3.700
   86    HG3  PRO  11          3HG       PRO  11 -10.748  12.612  -5.119
   87    HD2  PRO  11          2HD       PRO  11  -8.291  12.671  -3.983
   88    HD3  PRO  11          3HD       PRO  11  -8.532  12.426  -5.725
   89    H    DCL  12           HN       DCL  12  -8.089  15.183  -3.110
   90    HA   DCL  12           HA       DCL  12  -9.576  17.429  -1.783
   91    HC1  DCL  12          2HB1      DCL  12  -6.518  17.779  -2.138
   92    HC2  DCL  12          3HB1      DCL  12  -7.751  18.646  -3.149
   93    HB1  DCL  12          2HB       DCL  12  -7.326  15.510  -0.974
   94    HB2  DCL  12          3HB       DCL  12  -7.769  16.922   0.077
   95    HG   DCL  12           HG       DCL  12  -9.751  14.788  -0.915
   96   HD11  DCL  12          1HD1      DCL  12  -9.975  17.422   0.359
   97   HD12  DCL  12          2HD1      DCL  12 -11.301  16.273  -0.107
   98   HD13  DCL  12          3HD1      DCL  12 -10.526  16.150   1.531
   99   HD21  DCL  12          1HD2      DCL  12  -9.511  13.600   1.072
  100   HD22  DCL  12          2HD2      DCL  12  -7.801  14.148   0.809
  101   HD23  DCL  12          3HD2      DCL  12  -8.868  15.031   1.983
  102    HO   DCL  12          4H1       DCL  12  -7.960  20.077  -1.392
  Start of MODEL    8
    1    H1   ACE   1          1H1       ACE   1   0.627   0.381  -0.872
    2    H2   ACE   1          2H1       ACE   1   1.592   0.689   0.592
    3    H3   ACE   1          3H1       ACE   1  -0.162   0.417   0.723
    4    H    AIB   2           HN       AIB   2   2.445   2.560  -0.092
    5   HB11  AIB   2          1HB1      AIB   2   3.437   4.792  -1.169
    6   HB12  AIB   2          2HB1      AIB   2   2.841   6.231  -0.239
    7   HB13  AIB   2          3HB1      AIB   2   3.417   4.754   0.645
    8   HB21  AIB   2          1HB2      AIB   2  -0.415   5.197   0.575
    9   HB22  AIB   2          2HB2      AIB   2   0.777   4.530   1.769
   10   HB23  AIB   2          3HB2      AIB   2   1.022   6.186   1.069
   11    H    ASN   3           HN       ASN   3   0.795   3.032  -2.297
   12    HA   ASN   3           HA       ASN   3   0.359   5.199  -4.141
   13    HB2  ASN   3          2HB       ASN   3   0.688   2.325  -4.288
   14    HB3  ASN   3          3HB       ASN   3  -0.674   2.854  -5.273
   15   HD21  ASN   3          1HD2      ASN   3   2.678   2.574  -5.054
   16   HD22  ASN   3          2HD2      ASN   3   3.094   3.452  -6.483
   17    H    ILE   4           HN       ILE   4  -1.527   3.484  -1.877
   18    HA   ILE   4           HA       ILE   4  -4.050   4.042  -3.216
   19    HB   ILE   4           HB       ILE   4  -3.540   2.796  -0.512
   20   HG12  ILE   4          2HG1      ILE   4  -4.378   1.414  -3.061
   21   HG13  ILE   4          3HG1      ILE   4  -2.696   1.548  -2.562
   22   HG21  ILE   4          1HG2      ILE   4  -6.002   1.956  -1.367
   23   HG22  ILE   4          2HG2      ILE   4  -5.708   3.247  -0.203
   24   HG23  ILE   4          3HG2      ILE   4  -5.964   3.635  -1.903
   25   HD11  ILE   4          1HD1      ILE   4  -4.870   0.236  -0.949
   26   HD12  ILE   4          2HD1      ILE   4  -3.708  -0.609  -1.972
   27   HD13  ILE   4          3HD1      ILE   4  -3.151   0.289  -0.560
   28    H    ILE   5           HN       ILE   5  -2.018   5.367  -0.751
   29    HA   ILE   5           HA       ILE   5  -4.083   7.012   0.419
   30    HB   ILE   5           HB       ILE   5  -1.086   7.064   0.786
   31   HG12  ILE   5          2HG1      ILE   5  -3.305   5.950   2.515
   32   HG13  ILE   5          3HG1      ILE   5  -2.134   5.006   1.600
   33   HG21  ILE   5          1HG2      ILE   5  -1.554   8.457   2.760
   34   HG22  ILE   5          2HG2      ILE   5  -2.028   9.244   1.256
   35   HG23  ILE   5          3HG2      ILE   5  -3.254   8.518   2.295
   36   HD11  ILE   5          1HD1      ILE   5  -0.571   6.659   3.161
   37   HD12  ILE   5          2HD1      ILE   5  -1.909   6.207   4.219
   38   HD13  ILE   5          3HD1      ILE   5  -0.926   4.957   3.456
   39    H    AIB   6           HN       AIB   6  -1.722   7.171  -2.136
   40   HB11  AIB   6          1HB1      AIB   6  -0.895   7.673  -4.014
   41   HB12  AIB   6          2HB1      AIB   6  -1.422   9.086  -5.023
   42   HB13  AIB   6          3HB1      AIB   6   0.016   9.239  -3.925
   43   HB21  AIB   6          1HB2      AIB   6  -0.462  10.004  -1.476
   44   HB22  AIB   6          2HB2      AIB   6  -0.751  11.090  -2.900
   45   HB23  AIB   6          3HB2      AIB   6  -1.997  10.963  -1.586
   46    HA   PRO   7           HA       PRO   7  -5.137  10.181  -5.429
   47    HB2  PRO   7          2HB       PRO   7  -6.673   7.964  -5.736
   48    HB3  PRO   7          3HB       PRO   7  -5.253   8.295  -6.735
   49    HG2  PRO   7          2HG       PRO   7  -5.517   6.502  -4.352
   50    HG3  PRO   7          3HG       PRO   7  -4.673   6.209  -5.884
   51    HD2  PRO   7          2HD       PRO   7  -3.377   6.949  -3.625
   52    HD3  PRO   7          3HD       PRO   7  -2.824   7.427  -5.244
   53    H    LEU   8           HN       LEU   8  -5.239   8.565  -2.402
   54    HA   LEU   8           HA       LEU   8  -7.957   8.679  -1.774
   55    HB2  LEU   8          2HB       LEU   8  -5.511   8.151  -0.421
   56    HB3  LEU   8          3HB       LEU   8  -6.456   9.269   0.560
   57    HG   LEU   8           HG       LEU   8  -7.282   6.522  -0.371
   58   HD11  LEU   8          1HD1      LEU   8  -6.479   7.701   2.266
   59   HD12  LEU   8          2HD1      LEU   8  -5.863   6.258   1.461
   60   HD13  LEU   8          3HD1      LEU   8  -7.478   6.250   2.168
   61   HD21  LEU   8          1HD2      LEU   8  -9.225   7.155   1.298
   62   HD22  LEU   8          2HD2      LEU   8  -9.315   7.563  -0.416
   63   HD23  LEU   8          3HD2      LEU   8  -8.839   8.790   0.760
   64    H    LEU   9           HN       LEU   9  -5.407  11.104  -1.374
   65    HA   LEU   9           HA       LEU   9  -7.501  13.092  -0.783
   66    HB2  LEU   9          2HB       LEU   9  -5.715  14.390   0.349
   67    HB3  LEU   9          3HB       LEU   9  -6.094  12.854   1.125
   68    HG   LEU   9           HG       LEU   9  -3.979  12.254  -0.569
   69   HD11  LEU   9          1HD1      LEU   9  -3.238  14.376  -1.051
   70   HD12  LEU   9          2HD1      LEU   9  -2.314  14.010   0.406
   71   HD13  LEU   9          3HD1      LEU   9  -3.750  15.027   0.506
   72   HD21  LEU   9          1HD2      LEU   9  -4.442  12.570   2.330
   73   HD22  LEU   9          2HD2      LEU   9  -2.758  12.535   1.805
   74   HD23  LEU   9          3HD2      LEU   9  -3.831  11.189   1.419
   75    H    AIB  10           HN       AIB  10  -6.340  12.033  -3.364
   76   HB11  AIB  10          1HB1      AIB  10  -6.402  11.880  -5.535
   77   HB12  AIB  10          2HB1      AIB  10  -6.039  13.204  -6.721
   78   HB13  AIB  10          3HB1      AIB  10  -4.683  12.261  -5.969
   79   HB21  AIB  10          1HB2      AIB  10  -3.786  14.445  -5.533
   80   HB22  AIB  10          2HB2      AIB  10  -4.194  15.160  -3.917
   81   HB23  AIB  10          3HB2      AIB  10  -3.561  13.463  -4.025
   82    HA   PRO  11           HA       PRO  11  -8.535  16.273  -6.261
   83    HB2  PRO  11          2HB       PRO  11 -10.970  15.541  -5.311
   84    HB3  PRO  11          3HB       PRO  11 -10.231  14.796  -6.733
   85    HG2  PRO  11          2HG       PRO  11 -10.329  13.804  -3.910
   86    HG3  PRO  11          3HG       PRO  11 -10.577  12.908  -5.420
   87    HD2  PRO  11          2HD       PRO  11  -8.243  12.834  -4.050
   88    HD3  PRO  11          3HD       PRO  11  -8.316  12.705  -5.819
   89    H    DCL  12           HN       DCL  12  -8.057  15.292  -3.005
   90    HA   DCL  12           HA       DCL  12  -9.645  17.445  -1.659
   91    HC1  DCL  12          2HB1      DCL  12  -6.576  17.855  -1.780
   92    HC2  DCL  12          3HB1      DCL  12  -7.754  18.771  -2.813
   93    HB1  DCL  12          2HB       DCL  12  -7.439  15.495  -0.817
   94    HB2  DCL  12          3HB       DCL  12  -7.947  16.845   0.284
   95    HG   DCL  12           HG       DCL  12  -9.865  14.779  -0.947
   96   HD11  DCL  12          1HD1      DCL  12 -11.527  16.036   0.035
   97   HD12  DCL  12          2HD1      DCL  12 -10.594  16.171   1.586
   98   HD13  DCL  12          3HD1      DCL  12 -10.280  17.339   0.233
   99   HD21  DCL  12          1HD2      DCL  12  -8.105  14.674   1.465
  100   HD22  DCL  12          2HD2      DCL  12  -9.856  14.328   1.796
  101   HD23  DCL  12          3HD2      DCL  12  -8.952  13.344   0.566
  102    HO   DCL  12          4H1       DCL  12  -8.101  20.080  -0.983
  Start of MODEL    9
    1    H1   ACE   1          1H1       ACE   1   1.409   0.671   0.974
    2    H2   ACE   1          2H1       ACE   1  -0.238   0.340   0.386
    3    H3   ACE   1          3H1       ACE   1   1.124   0.384  -0.759
    4    H    AIB   2           HN       AIB   2   2.544   2.479  -0.239
    5   HB11  AIB   2          1HB1      AIB   2   3.650   4.322  -1.150
    6   HB12  AIB   2          2HB1      AIB   2   3.013   6.018  -1.045
    7   HB13  AIB   2          3HB1      AIB   2   3.443   5.114   0.469
    8   HB21  AIB   2          1HB2      AIB   2   1.261   6.183   0.831
    9   HB22  AIB   2          2HB2      AIB   2  -0.222   5.203   0.470
   10   HB23  AIB   2          3HB2      AIB   2   1.028   4.567   1.621
   11    H    ASN   3           HN       ASN   3   0.775   2.884  -2.364
   12    HA   ASN   3           HA       ASN   3   0.269   4.972  -4.280
   13    HB2  ASN   3          2HB       ASN   3   0.427   2.049  -4.289
   14    HB3  ASN   3          3HB       ASN   3  -0.854   2.676  -5.323
   15   HD21  ASN   3          1HD2      ASN   3   2.462   3.652  -4.503
   16   HD22  ASN   3          2HD2      ASN   3   2.988   3.842  -6.138
   17    H    ILE   4           HN       ILE   4  -1.509   3.403  -1.831
   18    HA   ILE   4           HA       ILE   4  -4.098   3.951  -3.043
   19    HB   ILE   4           HB       ILE   4  -3.551   2.899  -0.270
   20   HG12  ILE   4          2HG1      ILE   4  -2.507   1.421  -1.912
   21   HG13  ILE   4          3HG1      ILE   4  -3.933   0.655  -1.222
   22   HG21  ILE   4          1HG2      ILE   4  -5.875   1.885  -0.735
   23   HG22  ILE   4          2HG2      ILE   4  -5.767   3.597  -0.329
   24   HG23  ILE   4          3HG2      ILE   4  -5.981   3.101  -2.008
   25   HD11  ILE   4          1HD1      ILE   4  -4.730   0.331  -3.253
   26   HD12  ILE   4          2HD1      ILE   4  -4.740   2.072  -3.536
   27   HD13  ILE   4          3HD1      ILE   4  -3.312   1.121  -3.942
   28    H    ILE   5           HN       ILE   5  -1.899   5.346  -0.767
   29    HA   ILE   5           HA       ILE   5  -3.860   7.086   0.443
   30    HB   ILE   5           HB       ILE   5  -0.846   7.092   0.631
   31   HG12  ILE   5          2HG1      ILE   5  -2.979   6.104   2.537
   32   HG13  ILE   5          3HG1      ILE   5  -1.881   5.096   1.601
   33   HG21  ILE   5          1HG2      ILE   5  -1.171   8.583   2.561
   34   HG22  ILE   5          2HG2      ILE   5  -1.720   9.310   1.052
   35   HG23  ILE   5          3HG2      ILE   5  -2.894   8.657   2.194
   36   HD11  ILE   5          1HD1      ILE   5  -0.190   6.773   2.982
   37   HD12  ILE   5          2HD1      ILE   5  -1.476   6.426   4.139
   38   HD13  ILE   5          3HD1      ILE   5  -0.579   5.103   3.394
   39    H    AIB   6           HN       AIB   6  -1.653   7.077  -2.250
   40   HB11  AIB   6          1HB1      AIB   6  -1.446   8.918  -5.237
   41   HB12  AIB   6          2HB1      AIB   6   0.035   8.961  -4.190
   42   HB13  AIB   6          3HB1      AIB   6  -0.998   7.470  -4.242
   43   HB21  AIB   6          1HB2      AIB   6  -0.668  10.942  -3.255
   44   HB22  AIB   6          2HB2      AIB   6  -1.821  10.889  -1.855
   45   HB23  AIB   6          3HB2      AIB   6  -0.293   9.910  -1.812
   46    HA   PRO   7           HA       PRO   7  -5.201  10.004  -5.476
   47    HB2  PRO   7          2HB       PRO   7  -6.794   7.808  -5.588
   48    HB3  PRO   7          3HB       PRO   7  -5.429   8.063  -6.683
   49    HG2  PRO   7          2HG       PRO   7  -5.584   6.387  -4.207
   50    HG3  PRO   7          3HG       PRO   7  -4.839   6.007  -5.770
   51    HD2  PRO   7          2HD       PRO   7  -3.397   6.822  -3.629
   52    HD3  PRO   7          3HD       PRO   7  -2.933   7.213  -5.297
   53    H    LEU   8           HN       LEU   8  -5.152   8.532  -2.375
   54    HA   LEU   8           HA       LEU   8  -7.826   8.731  -1.596
   55    HB2  LEU   8          2HB       LEU   8  -5.314   8.216  -0.365
   56    HB3  LEU   8          3HB       LEU   8  -6.178   9.397   0.616
   57    HG   LEU   8           HG       LEU   8  -7.107   6.628  -0.133
   58   HD11  LEU   8          1HD1      LEU   8  -6.071   7.907   2.363
   59   HD12  LEU   8          2HD1      LEU   8  -5.626   6.369   1.626
   60   HD13  LEU   8          3HD1      LEU   8  -7.176   6.535   2.451
   61   HD21  LEU   8          1HD2      LEU   8  -8.892   7.480   1.689
   62   HD22  LEU   8          2HD2      LEU   8  -9.147   7.590  -0.053
   63   HD23  LEU   8          3HD2      LEU   8  -8.570   8.995   0.846
   64    H    LEU   9           HN       LEU   9  -5.213  11.118  -1.461
   65    HA   LEU   9           HA       LEU   9  -7.232  13.175  -0.844
   66    HB2  LEU   9          2HB       LEU   9  -4.350  12.937  -0.040
   67    HB3  LEU   9          3HB       LEU   9  -5.198  14.481  -0.003
   68    HG   LEU   9           HG       LEU   9  -6.886  12.899   1.437
   69   HD11  LEU   9          1HD1      LEU   9  -4.163  11.751   1.587
   70   HD12  LEU   9          2HD1      LEU   9  -5.735  10.980   1.792
   71   HD13  LEU   9          3HD1      LEU   9  -5.045  11.937   3.103
   72   HD21  LEU   9          1HD2      LEU   9  -4.553  14.343   2.666
   73   HD22  LEU   9          2HD2      LEU   9  -6.185  14.149   3.308
   74   HD23  LEU   9          3HD2      LEU   9  -5.904  15.188   1.911
   75    H    AIB  10           HN       AIB  10  -6.244  11.973  -3.434
   76   HB11  AIB  10          1HB1      AIB  10  -4.743  12.049  -6.144
   77   HB12  AIB  10          2HB1      AIB  10  -6.439  11.722  -5.589
   78   HB13  AIB  10          3HB1      AIB  10  -6.126  12.984  -6.855
   79   HB21  AIB  10          1HB2      AIB  10  -3.767  14.188  -5.863
   80   HB22  AIB  10          2HB2      AIB  10  -4.084  15.045  -4.296
   81   HB23  AIB  10          3HB2      AIB  10  -3.491  13.329  -4.289
   82    HA   PRO  11           HA       PRO  11  -8.528  16.123  -6.394
   83    HB2  PRO  11          2HB       PRO  11 -10.916  15.490  -5.268
   84    HB3  PRO  11          3HB       PRO  11 -10.278  14.664  -6.695
   85    HG2  PRO  11          2HG       PRO  11 -10.226  13.805  -3.828
   86    HG3  PRO  11          3HG       PRO  11 -10.581  12.847  -5.276
   87    HD2  PRO  11          2HD       PRO  11  -8.171  12.785  -4.044
   88    HD3  PRO  11          3HD       PRO  11  -8.352  12.576  -5.798
   89    H    DCL  12           HN       DCL  12  -7.911  15.267  -3.118
   90    HA   DCL  12           HA       DCL  12  -9.352  17.553  -1.814
   91    HC1  DCL  12          2HB1      DCL  12  -6.390  17.983  -1.513
   92    HC2  DCL  12          3HB1      DCL  12  -7.021  18.316  -3.182
   93    HB1  DCL  12          2HB       DCL  12  -7.214  15.533  -0.951
   94    HB2  DCL  12          3HB       DCL  12  -7.641  16.946   0.105
   95    HG   DCL  12           HG       DCL  12  -9.665  14.908  -0.997
   96   HD11  DCL  12          1HD1      DCL  12  -9.928  17.536   0.125
   97   HD12  DCL  12          2HD1      DCL  12 -11.245  16.306  -0.087
   98   HD13  DCL  12          3HD1      DCL  12 -10.331  16.398   1.479
   99   HD21  DCL  12          1HD2      DCL  12  -7.940  14.925   1.483
  100   HD22  DCL  12          2HD2      DCL  12  -9.684  14.466   1.689
  101   HD23  DCL  12          3HD2      DCL  12  -8.630  13.538   0.538
  102    HO   DCL  12          4H1       DCL  12  -7.908  20.217  -2.299
  Start of MODEL   10
    1    H1   ACE   1          1H1       ACE   1   1.306   0.451  -0.675
    2    H2   ACE   1          2H1       ACE   1   1.306   0.700   1.087
    3    H3   ACE   1          3H1       ACE   1  -0.218   0.344   0.238
    4    H    AIB   2           HN       AIB   2   2.569   2.521  -0.219
    5   HB11  AIB   2          1HB1      AIB   2   3.010   6.117  -0.888
    6   HB12  AIB   2          2HB1      AIB   2   3.507   5.023   0.472
    7   HB13  AIB   2          3HB1      AIB   2   3.631   4.450  -1.246
    8   HB21  AIB   2          1HB2      AIB   2   1.267   6.219   0.848
    9   HB22  AIB   2          2HB2      AIB   2  -0.211   5.232   0.483
   10   HB23  AIB   2          3HB2      AIB   2   1.040   4.602   1.638
   11    H    ASN   3           HN       ASN   3   0.803   2.917  -2.347
   12    HA   ASN   3           HA       ASN   3   0.292   5.003  -4.265
   13    HB2  ASN   3          2HB       ASN   3  -0.257   2.029  -4.383
   14    HB3  ASN   3          3HB       ASN   3  -0.422   3.143  -5.737
   15   HD21  ASN   3          1HD2      ASN   3   1.580   4.430  -6.224
   16   HD22  ASN   3          2HD2      ASN   3   3.086   3.586  -6.152
   17    H    ILE   4           HN       ILE   4  -1.484   3.425  -1.820
   18    HA   ILE   4           HA       ILE   4  -4.072   3.961  -3.039
   19    HB   ILE   4           HB       ILE   4  -3.474   2.873  -0.286
   20   HG12  ILE   4          2HG1      ILE   4  -2.570   1.424  -2.066
   21   HG13  ILE   4          3HG1      ILE   4  -3.923   0.666  -1.234
   22   HG21  ILE   4          1HG2      ILE   4  -5.680   3.760  -0.354
   23   HG22  ILE   4          2HG2      ILE   4  -5.993   3.026  -1.926
   24   HG23  ILE   4          3HG2      ILE   4  -5.822   2.008  -0.497
   25   HD11  ILE   4          1HD1      ILE   4  -5.003   2.072  -3.415
   26   HD12  ILE   4          2HD1      ILE   4  -3.588   1.201  -4.010
   27   HD13  ILE   4          3HD1      ILE   4  -4.883   0.327  -3.191
   28    H    ILE   5           HN       ILE   5  -1.885   5.367  -0.757
   29    HA   ILE   5           HA       ILE   5  -3.857   7.098   0.448
   30    HB   ILE   5           HB       ILE   5  -0.843   7.117   0.642
   31   HG12  ILE   5          2HG1      ILE   5  -2.976   6.121   2.545
   32   HG13  ILE   5          3HG1      ILE   5  -1.872   5.117   1.611
   33   HG21  ILE   5          1HG2      ILE   5  -1.179   8.608   2.572
   34   HG22  ILE   5          2HG2      ILE   5  -1.728   9.332   1.061
   35   HG23  ILE   5          3HG2      ILE   5  -2.902   8.674   2.201
   36   HD11  ILE   5          1HD1      ILE   5  -0.559   5.136   3.395
   37   HD12  ILE   5          2HD1      ILE   5  -0.203   6.819   3.005
   38   HD13  ILE   5          3HD1      ILE   5  -1.484   6.432   4.154
   39    H    AIB   6           HN       AIB   6  -1.644   7.098  -2.240
   40   HB11  AIB   6          1HB1      AIB   6  -1.473   8.891  -5.227
   41   HB12  AIB   6          2HB1      AIB   6   0.023   9.037  -4.210
   42   HB13  AIB   6          3HB1      AIB   6  -0.939   7.497  -4.197
   43   HB21  AIB   6          1HB2      AIB   6  -1.832  10.909  -1.845
   44   HB22  AIB   6          2HB2      AIB   6  -0.299   9.940  -1.800
   45   HB23  AIB   6          3HB2      AIB   6  -0.680  10.970  -3.245
   46    HA   PRO   7           HA       PRO   7  -5.200  10.009  -5.474
   47    HB2  PRO   7          2HB       PRO   7  -6.782   7.805  -5.589
   48    HB3  PRO   7          3HB       PRO   7  -5.416   8.066  -6.681
   49    HG2  PRO   7          2HG       PRO   7  -5.568   6.390  -4.205
   50    HG3  PRO   7          3HG       PRO   7  -4.818   6.013  -5.767
   51    HD2  PRO   7          2HD       PRO   7  -3.384   6.835  -3.622
   52    HD3  PRO   7          3HD       PRO   7  -2.919   7.228  -5.290
   53    H    LEU   8           HN       LEU   8  -5.151   8.537  -2.373
   54    HA   LEU   8           HA       LEU   8  -7.827   8.723  -1.599
   55    HB2  LEU   8          2HB       LEU   8  -5.315   8.220  -0.363
   56    HB3  LEU   8          3HB       LEU   8  -6.187   9.398   0.616
   57    HG   LEU   8           HG       LEU   8  -7.101   6.624  -0.134
   58   HD11  LEU   8          1HD1      LEU   8  -5.937   7.882   2.286
   59   HD12  LEU   8          2HD1      LEU   8  -5.732   6.253   1.642
   60   HD13  LEU   8          3HD1      LEU   8  -7.205   6.678   2.513
   61   HD21  LEU   8          1HD2      LEU   8  -9.148   7.562  -0.050
   62   HD22  LEU   8          2HD2      LEU   8  -8.580   8.986   0.822
   63   HD23  LEU   8          3HD2      LEU   8  -8.889   7.483   1.693
   64    H    LEU   9           HN       LEU   9  -5.226  11.123  -1.458
   65    HA   LEU   9           HA       LEU   9  -7.256  13.170  -0.847
   66    HB2  LEU   9          2HB       LEU   9  -4.326  13.122  -0.144
   67    HB3  LEU   9          3HB       LEU   9  -5.401  14.492   0.128
   68    HG   LEU   9           HG       LEU   9  -6.635  12.326   1.393
   69   HD11  LEU   9          1HD1      LEU   9  -4.106  11.482   1.076
   70   HD12  LEU   9          2HD1      LEU   9  -5.103  11.072   2.471
   71   HD13  LEU   9          3HD1      LEU   9  -3.936  12.390   2.578
   72   HD21  LEU   9          1HD2      LEU   9  -6.480  13.656   3.282
   73   HD22  LEU   9          2HD2      LEU   9  -6.337  14.834   1.977
   74   HD23  LEU   9          3HD2      LEU   9  -4.895  14.288   2.834
   75    H    AIB  10           HN       AIB  10  -6.256  11.973  -3.434
   76   HB11  AIB  10          1HB1      AIB  10  -6.124  12.986  -6.858
   77   HB12  AIB  10          2HB1      AIB  10  -4.753  12.046  -6.133
   78   HB13  AIB  10          3HB1      AIB  10  -6.457  11.728  -5.594
   79   HB21  AIB  10          1HB2      AIB  10  -3.800  14.246  -5.856
   80   HB22  AIB  10          2HB2      AIB  10  -4.098  15.028  -4.247
   81   HB23  AIB  10          3HB2      AIB  10  -3.498  13.317  -4.328
   82    HA   PRO  11           HA       PRO  11  -8.550  16.114  -6.399
   83    HB2  PRO  11          2HB       PRO  11 -10.938  15.472  -5.278
   84    HB3  PRO  11          3HB       PRO  11 -10.294  14.649  -6.703
   85    HG2  PRO  11          2HG       PRO  11 -10.244  13.790  -3.836
   86    HG3  PRO  11          3HG       PRO  11 -10.593  12.830  -5.285
   87    HD2  PRO  11          2HD       PRO  11  -8.185  12.777  -4.048
   88    HD3  PRO  11          3HD       PRO  11  -8.362  12.568  -5.802
   89    H    DCL  12           HN       DCL  12  -7.929  15.264  -3.124
   90    HA   DCL  12           HA       DCL  12  -9.383  17.546  -1.823
   91    HC1  DCL  12          2HB1      DCL  12  -6.416  17.972  -1.529
   92    HC2  DCL  12          3HB1      DCL  12  -7.064  18.327  -3.187
   93    HB1  DCL  12          2HB       DCL  12  -7.243  15.531  -0.954
   94    HB2  DCL  12          3HB       DCL  12  -7.676  16.942   0.101
   95    HG   DCL  12           HG       DCL  12  -9.693  14.901  -1.007
   96   HD11  DCL  12          1HD1      DCL  12 -11.109  16.616  -0.373
   97   HD12  DCL  12          2HD1      DCL  12 -10.704  16.118   1.325
   98   HD13  DCL  12          3HD1      DCL  12  -9.794  17.476   0.535
   99   HD21  DCL  12          1HD2      DCL  12  -7.843  14.161   0.786
  100   HD22  DCL  12          2HD2      DCL  12  -8.923  15.068   1.928
  101   HD23  DCL  12          3HD2      DCL  12  -9.581  13.675   0.968
  102    HO   DCL  12          4H1       DCL  12  -7.942  20.216  -2.271
  Start of MODEL   11
    1    H1   ACE   1          1H1       ACE   1   1.638   0.714  -0.530
    2    H2   ACE   1          2H1       ACE   1   1.015   0.785   1.136
    3    H3   ACE   1          3H1       ACE   1  -0.086   0.406  -0.210
    4    H    AIB   2           HN       AIB   2   2.538   2.750  -0.203
    5   HB11  AIB   2          1HB1      AIB   2   3.250   5.476   0.603
    6   HB12  AIB   2          2HB1      AIB   2   3.586   4.638  -0.970
    7   HB13  AIB   2          3HB1      AIB   2   2.854   6.299  -0.964
    8   HB21  AIB   2          1HB2      AIB   2   1.034   6.352   0.932
    9   HB22  AIB   2          2HB2      AIB   2  -0.383   5.302   0.509
   10   HB23  AIB   2          3HB2      AIB   2   0.873   4.705   1.674
   11    H    ASN   3           HN       ASN   3   0.805   3.124  -2.363
   12    HA   ASN   3           HA       ASN   3   0.237   5.240  -4.232
   13    HB2  ASN   3          2HB       ASN   3   0.086   2.235  -4.357
   14    HB3  ASN   3          3HB       ASN   3  -0.539   3.239  -5.662
   15   HD21  ASN   3          1HD2      ASN   3   1.521   1.402  -5.993
   16   HD22  ASN   3          2HD2      ASN   3   2.973   2.260  -6.367
   17    H    ILE   4           HN       ILE   4  -1.515   3.514  -1.873
   18    HA   ILE   4           HA       ILE   4  -4.097   3.971  -3.140
   19    HB   ILE   4           HB       ILE   4  -3.504   2.791  -0.423
   20   HG12  ILE   4          2HG1      ILE   4  -4.169   1.349  -2.996
   21   HG13  ILE   4          3HG1      ILE   4  -2.538   1.512  -2.354
   22   HG21  ILE   4          1HG2      ILE   4  -5.701   3.162  -0.163
   23   HG22  ILE   4          2HG2      ILE   4  -5.962   3.418  -1.887
   24   HG23  ILE   4          3HG2      ILE   4  -5.896   1.780  -1.240
   25   HD11  ILE   4          1HD1      ILE   4  -2.834  -0.212  -1.002
   26   HD12  ILE   4          2HD1      ILE   4  -4.326   0.472  -0.355
   27   HD13  ILE   4          3HD1      ILE   4  -4.368  -0.508  -1.820
   28    H    ILE   5           HN       ILE   5  -2.025   5.391  -0.769
   29    HA   ILE   5           HA       ILE   5  -4.122   7.001   0.419
   30    HB   ILE   5           HB       ILE   5  -1.130   7.125   0.815
   31   HG12  ILE   5          2HG1      ILE   5  -3.286   5.867   2.526
   32   HG13  ILE   5          3HG1      ILE   5  -2.134   4.985   1.529
   33   HG21  ILE   5          1HG2      ILE   5  -1.511   9.038   1.875
   34   HG22  ILE   5          2HG2      ILE   5  -3.249   8.878   1.633
   35   HG23  ILE   5          3HG2      ILE   5  -2.485   8.147   3.044
   36   HD11  ILE   5          1HD1      ILE   5  -0.698   4.968   3.203
   37   HD12  ILE   5          2HD1      ILE   5  -0.684   6.732   3.230
   38   HD13  ILE   5          3HD1      ILE   5  -1.857   5.845   4.203
   39    H    AIB   6           HN       AIB   6  -1.729   7.165  -2.107
   40   HB11  AIB   6          1HB1      AIB   6  -0.967   7.658  -4.036
   41   HB12  AIB   6          2HB1      AIB   6  -1.386   9.141  -4.993
   42   HB13  AIB   6          3HB1      AIB   6   0.031   9.162  -3.858
   43   HB21  AIB   6          1HB2      AIB   6  -0.750  11.076  -2.874
   44   HB22  AIB   6          2HB2      AIB   6  -1.997  10.955  -1.562
   45   HB23  AIB   6          3HB2      AIB   6  -0.465   9.988  -1.451
   46    HA   PRO   7           HA       PRO   7  -5.135  10.191  -5.411
   47    HB2  PRO   7          2HB       PRO   7  -6.680   7.981  -5.724
   48    HB3  PRO   7          3HB       PRO   7  -5.256   8.307  -6.720
   49    HG2  PRO   7          2HG       PRO   7  -5.533   6.512  -4.340
   50    HG3  PRO   7          3HG       PRO   7  -4.688   6.218  -5.871
   51    HD2  PRO   7          2HD       PRO   7  -3.392   6.949  -3.608
   52    HD3  PRO   7          3HD       PRO   7  -2.834   7.426  -5.225
   53    H    LEU   8           HN       LEU   8  -5.247   8.575  -2.385
   54    HA   LEU   8           HA       LEU   8  -7.967   8.698  -1.763
   55    HB2  LEU   8          2HB       LEU   8  -5.525   8.161  -0.405
   56    HB3  LEU   8          3HB       LEU   8  -6.469   9.281   0.575
   57    HG   LEU   8           HG       LEU   8  -7.301   6.538  -0.360
   58   HD11  LEU   8          1HD1      LEU   8  -6.217   5.950   1.501
   59   HD12  LEU   8          2HD1      LEU   8  -7.570   6.682   2.363
   60   HD13  LEU   8          3HD1      LEU   8  -6.103   7.616   2.071
   61   HD21  LEU   8          1HD2      LEU   8  -9.236   7.199   1.327
   62   HD22  LEU   8          2HD2      LEU   8  -9.338   7.554  -0.397
   63   HD23  LEU   8          3HD2      LEU   8  -8.855   8.817   0.737
   64    H    LEU   9           HN       LEU   9  -5.409  11.114  -1.360
   65    HA   LEU   9           HA       LEU   9  -7.496  13.109  -0.769
   66    HB2  LEU   9          2HB       LEU   9  -5.877  14.357   0.492
   67    HB3  LEU   9          3HB       LEU   9  -5.947  12.704   1.100
   68    HG   LEU   9           HG       LEU   9  -3.874  12.870  -0.853
   69   HD11  LEU   9          1HD1      LEU   9  -3.899  15.062   1.199
   70   HD12  LEU   9          2HD1      LEU   9  -3.628  15.184  -0.539
   71   HD13  LEU   9          3HD1      LEU   9  -2.404  14.445   0.494
   72   HD21  LEU   9          1HD2      LEU   9  -3.332  12.712   2.066
   73   HD22  LEU   9          2HD2      LEU   9  -2.676  11.754   0.738
   74   HD23  LEU   9          3HD2      LEU   9  -4.311  11.445   1.326
   75    H    AIB  10           HN       AIB  10  -6.339  12.046  -3.350
   76   HB11  AIB  10          1HB1      AIB  10  -6.393  11.890  -5.519
   77   HB12  AIB  10          2HB1      AIB  10  -6.031  13.214  -6.706
   78   HB13  AIB  10          3HB1      AIB  10  -4.674  12.273  -5.954
   79   HB21  AIB  10          1HB2      AIB  10  -3.561  13.487  -3.980
   80   HB22  AIB  10          2HB2      AIB  10  -3.767  14.429  -5.517
   81   HB23  AIB  10          3HB2      AIB  10  -4.192  15.186  -3.923
   82    HA   PRO  11           HA       PRO  11  -8.522  16.285  -6.254
   83    HB2  PRO  11          2HB       PRO  11 -10.960  15.554  -5.309
   84    HB3  PRO  11          3HB       PRO  11 -10.218  14.809  -6.730
   85    HG2  PRO  11          2HG       PRO  11 -10.323  13.817  -3.907
   86    HG3  PRO  11          3HG       PRO  11 -10.568  12.921  -5.418
   87    HD2  PRO  11          2HD       PRO  11  -8.238  12.846  -4.042
   88    HD3  PRO  11          3HD       PRO  11  -8.306  12.717  -5.811
   89    H    DCL  12           HN       DCL  12  -8.079  15.292  -2.991
   90    HA   DCL  12           HA       DCL  12  -9.667  17.434  -1.642
   91    HC1  DCL  12          2HB1      DCL  12  -6.634  17.931  -1.548
   92    HC2  DCL  12          3HB1      DCL  12  -7.631  18.641  -2.888
   93    HB1  DCL  12          2HB       DCL  12  -7.429  15.515  -0.812
   94    HB2  DCL  12          3HB       DCL  12  -7.947  16.859   0.290
   95    HG   DCL  12           HG       DCL  12  -9.846  14.768  -0.926
   96   HD11  DCL  12          1HD1      DCL  12 -11.147  16.676  -0.325
   97   HD12  DCL  12          2HD1      DCL  12 -11.183  15.695   1.202
   98   HD13  DCL  12          3HD1      DCL  12 -10.050  17.107   1.055
   99   HD21  DCL  12          1HD2      DCL  12  -9.270  13.321   0.702
  100   HD22  DCL  12          2HD2      DCL  12  -7.937  14.445   1.203
  101   HD23  DCL  12          3HD2      DCL  12  -9.578  14.584   1.967
  102    HO   DCL  12          4H1       DCL  12  -8.307  20.184  -1.357
  Start of MODEL   12
    1    H1   ACE   1          1H1       ACE   1  -1.209   0.115   0.215
    2    H2   ACE   1          2H1       ACE   1  -0.037   0.015  -1.121
    3    H3   ACE   1          3H1       ACE   1   0.533   0.016   0.565
    4    H    AIB   2           HN       AIB   2   1.928   1.694   0.032
    5   HB11  AIB   2          1HB1      AIB   2   3.424   3.830  -0.897
    6   HB12  AIB   2          2HB1      AIB   2   3.108   5.172   0.283
    7   HB13  AIB   2          3HB1      AIB   2   3.330   3.471   0.879
    8   HB21  AIB   2          1HB2      AIB   2   1.401   4.642   1.954
    9   HB22  AIB   2          2HB2      AIB   2   0.327   5.527   0.790
   10   HB23  AIB   2          3HB2      AIB   2  -0.162   3.895   1.417
   11    H    ASN   3           HN       ASN   3   0.677   2.701  -2.286
   12    HA   ASN   3           HA       ASN   3   0.709   5.107  -3.869
   13    HB2  ASN   3          2HB       ASN   3   0.117   2.216  -4.421
   14    HB3  ASN   3          3HB       ASN   3  -0.299   3.447  -5.610
   15   HD21  ASN   3          1HD2      ASN   3   2.211   1.639  -4.136
   16   HD22  ASN   3          2HD2      ASN   3   3.513   2.241  -5.098
   17    H    ILE   4           HN       ILE   4  -1.585   3.418  -1.979
   18    HA   ILE   4           HA       ILE   4  -3.915   4.374  -3.383
   19    HB   ILE   4           HB       ILE   4  -3.753   3.179  -0.615
   20   HG12  ILE   4          2HG1      ILE   4  -4.811   1.385  -2.575
   21   HG13  ILE   4          3HG1      ILE   4  -3.254   1.978  -3.144
   22   HG21  ILE   4          1HG2      ILE   4  -5.881   3.894  -0.580
   23   HG22  ILE   4          2HG2      ILE   4  -5.943   4.110  -2.328
   24   HG23  ILE   4          3HG2      ILE   4  -6.180   2.509  -1.629
   25   HD11  ILE   4          1HD1      ILE   4  -3.024   1.301  -0.391
   26   HD12  ILE   4          2HD1      ILE   4  -3.769  -0.043  -1.257
   27   HD13  ILE   4          3HD1      ILE   4  -2.210   0.591  -1.784
   28    H    ILE   5           HN       ILE   5  -1.929   5.408  -0.711
   29    HA   ILE   5           HA       ILE   5  -3.738   7.251   0.442
   30    HB   ILE   5           HB       ILE   5  -0.720   7.196   0.486
   31   HG12  ILE   5          2HG1      ILE   5  -1.927   5.261   1.521
   32   HG13  ILE   5          3HG1      ILE   5  -0.957   6.188   2.661
   33   HG21  ILE   5          1HG2      ILE   5  -2.690   9.049   1.721
   34   HG22  ILE   5          2HG2      ILE   5  -1.260   8.601   2.649
   35   HG23  ILE   5          3HG2      ILE   5  -1.082   9.375   1.074
   36   HD11  ILE   5          1HD1      ILE   5  -3.709   7.117   2.474
   37   HD12  ILE   5          2HD1      ILE   5  -3.560   5.443   3.012
   38   HD13  ILE   5          3HD1      ILE   5  -2.731   6.728   3.889
   39    H    AIB   6           HN       AIB   6  -1.641   7.289  -2.345
   40   HB11  AIB   6          1HB1      AIB   6  -0.994   7.731  -4.319
   41   HB12  AIB   6          2HB1      AIB   6  -1.520   9.166  -5.298
   42   HB13  AIB   6          3HB1      AIB   6  -0.015   9.258  -4.287
   43   HB21  AIB   6          1HB2      AIB   6  -1.864  11.092  -1.875
   44   HB22  AIB   6          2HB2      AIB   6  -0.310  10.155  -1.889
   45   HB23  AIB   6          3HB2      AIB   6  -0.752  11.202  -3.303
   46    HA   PRO   7           HA       PRO   7  -5.289  10.196  -5.456
   47    HB2  PRO   7          2HB       PRO   7  -6.827   7.963  -5.592
   48    HB3  PRO   7          3HB       PRO   7  -5.487   8.275  -6.701
   49    HG2  PRO   7          2HG       PRO   7  -5.561   6.543  -4.261
   50    HG3  PRO   7          3HG       PRO   7  -4.831   6.216  -5.843
   51    HD2  PRO   7          2HD       PRO   7  -3.375   7.021  -3.707
   52    HD3  PRO   7          3HD       PRO   7  -2.948   7.460  -5.373
   53    H    LEU   8           HN       LEU   8  -5.156   8.652  -2.391
   54    HA   LEU   8           HA       LEU   8  -7.817   8.761  -1.562
   55    HB2  LEU   8          2HB       LEU   8  -5.271   8.303  -0.382
   56    HB3  LEU   8          3HB       LEU   8  -6.150   9.445   0.632
   57    HG   LEU   8           HG       LEU   8  -7.012   6.661  -0.140
   58   HD11  LEU   8          1HD1      LEU   8  -7.024   6.504   2.428
   59   HD12  LEU   8          2HD1      LEU   8  -6.000   7.939   2.371
   60   HD13  LEU   8          3HD1      LEU   8  -5.474   6.449   1.588
   61   HD21  LEU   8          1HD2      LEU   8  -9.106   7.352   0.137
   62   HD22  LEU   8          2HD2      LEU   8  -8.577   8.957   0.640
   63   HD23  LEU   8          3HD2      LEU   8  -8.710   7.660   1.828
   64    H    LEU   9           HN       LEU   9  -5.272  11.223  -1.382
   65    HA   LEU   9           HA       LEU   9  -7.353  13.207  -0.735
   66    HB2  LEU   9          2HB       LEU   9  -5.857  14.403   0.573
   67    HB3  LEU   9          3HB       LEU   9  -5.504  12.723   0.971
   68    HG   LEU   9           HG       LEU   9  -3.755  13.346  -1.109
   69   HD11  LEU   9          1HD1      LEU   9  -4.531  15.764  -0.354
   70   HD12  LEU   9          2HD1      LEU   9  -2.861  15.413  -0.796
   71   HD13  LEU   9          3HD1      LEU   9  -3.327  15.483   0.904
   72   HD21  LEU   9          1HD2      LEU   9  -2.124  13.448   0.935
   73   HD22  LEU   9          2HD2      LEU   9  -2.951  11.945   0.524
   74   HD23  LEU   9          3HD2      LEU   9  -3.555  12.953   1.840
   75    H    AIB  10           HN       AIB  10  -6.360  12.102  -3.349
   76   HB11  AIB  10          1HB1      AIB  10  -6.626  11.949  -5.540
   77   HB12  AIB  10          2HB1      AIB  10  -6.195  13.216  -6.766
   78   HB13  AIB  10          3HB1      AIB  10  -4.892  12.205  -6.007
   79   HB21  AIB  10          1HB2      AIB  10  -3.624  13.506  -4.193
   80   HB22  AIB  10          2HB2      AIB  10  -3.925  14.420  -5.731
   81   HB23  AIB  10          3HB2      AIB  10  -4.237  15.212  -4.128
   82    HA   PRO  11           HA       PRO  11  -8.724  16.293  -6.167
   83    HB2  PRO  11          2HB       PRO  11 -11.077  15.635  -4.985
   84    HB3  PRO  11          3HB       PRO  11 -10.472  14.827  -6.436
   85    HG2  PRO  11          2HG       PRO  11 -10.339  13.941  -3.579
   86    HG3  PRO  11          3HG       PRO  11 -10.728  12.994  -5.028
   87    HD2  PRO  11          2HD       PRO  11  -8.286  12.934  -3.860
   88    HD3  PRO  11          3HD       PRO  11  -8.512  12.741  -5.610
   89    H    DCL  12           HN       DCL  12  -9.119  15.184  -2.786
   90    HA   DCL  12           HA       DCL  12  -9.755  17.999  -1.836
   91    HC1  DCL  12          2HB1      DCL  12  -7.135  16.529  -1.062
   92    HC2  DCL  12          3HB1      DCL  12  -7.285  18.124  -1.915
   93    HB1  DCL  12          2HB       DCL  12  -9.924  16.937   0.411
   94    HB2  DCL  12          3HB       DCL  12 -10.912  16.043  -0.822
   95    HG   DCL  12           HG       DCL  12  -8.245  14.912  -0.795
   96   HD11  DCL  12          1HD1      DCL  12  -9.646  12.896   0.091
   97   HD12  DCL  12          2HD1      DCL  12 -11.067  14.025   0.102
   98   HD13  DCL  12          3HD1      DCL  12 -10.220  13.646  -1.459
   99   HD21  DCL  12          1HD2      DCL  12  -7.920  15.782   1.466
  100   HD22  DCL  12          2HD2      DCL  12  -9.556  15.186   1.977
  101   HD23  DCL  12          3HD2      DCL  12  -8.245  14.000   1.563
  102    HO   DCL  12          4H1       DCL  12  -7.448  19.043   0.161
  Start of MODEL   13
    1    H1   ACE   1          1H1       ACE   1   0.097  -0.325   0.812
    2    H2   ACE   1          2H1       ACE   1  -1.006  -0.214  -0.581
    3    H3   ACE   1          3H1       ACE   1   0.755  -0.207  -0.838
    4    H    AIB   2           HN       AIB   2   2.022   1.489   0.112
    5   HB11  AIB   2          1HB1      AIB   2   3.008   5.018   0.613
    6   HB12  AIB   2          2HB1      AIB   2   3.229   3.372   1.343
    7   HB13  AIB   2          3HB1      AIB   2   3.464   3.613  -0.440
    8   HB21  AIB   2          1HB2      AIB   2   0.893   5.187   1.632
    9   HB22  AIB   2          2HB2      AIB   2  -0.503   4.143   1.129
   10   HB23  AIB   2          3HB2      AIB   2   0.744   3.499   2.279
   11    H    ASN   3           HN       ASN   3   0.710   2.618  -2.094
   12    HA   ASN   3           HA       ASN   3   0.810   5.113  -3.523
   13    HB2  ASN   3          2HB       ASN   3   0.658   2.291  -4.182
   14    HB3  ASN   3          3HB       ASN   3  -0.467   3.236  -5.153
   15   HD21  ASN   3          1HD2      ASN   3   2.220   1.845  -5.600
   16   HD22  ASN   3          2HD2      ASN   3   3.145   3.027  -6.455
   17    H    ILE   4           HN       ILE   4  -1.558   3.366  -1.784
   18    HA   ILE   4           HA       ILE   4  -3.858   4.355  -3.170
   19    HB   ILE   4           HB       ILE   4  -3.710   3.265  -0.359
   20   HG12  ILE   4          2HG1      ILE   4  -2.775   1.664  -1.959
   21   HG13  ILE   4          3HG1      ILE   4  -4.333   1.104  -1.360
   22   HG21  ILE   4          1HG2      ILE   4  -6.077   2.743  -0.696
   23   HG22  ILE   4          2HG2      ILE   4  -5.768   4.472  -0.840
   24   HG23  ILE   4          3HG2      ILE   4  -6.015   3.497  -2.288
   25   HD11  ILE   4          1HD1      ILE   4  -3.981   0.767  -3.792
   26   HD12  ILE   4          2HD1      ILE   4  -5.409   1.725  -3.397
   27   HD13  ILE   4          3HD1      ILE   4  -3.949   2.520  -3.983
   28    H    ILE   5           HN       ILE   5  -1.818   5.514  -0.614
   29    HA   ILE   5           HA       ILE   5  -3.601   7.383   0.537
   30    HB   ILE   5           HB       ILE   5  -0.585   7.342   0.450
   31   HG12  ILE   5          2HG1      ILE   5  -1.825   5.498   1.665
   32   HG13  ILE   5          3HG1      ILE   5  -0.703   6.430   2.650
   33   HG21  ILE   5          1HG2      ILE   5  -1.095   9.596   0.821
   34   HG22  ILE   5          2HG2      ILE   5  -2.487   9.207   1.831
   35   HG23  ILE   5          3HG2      ILE   5  -0.853   8.930   2.435
   36   HD11  ILE   5          1HD1      ILE   5  -3.240   5.843   3.354
   37   HD12  ILE   5          2HD1      ILE   5  -2.331   7.226   3.965
   38   HD13  ILE   5          3HD1      ILE   5  -3.457   7.434   2.625
   39    H    AIB   6           HN       AIB   6  -1.637   7.325  -2.343
   40   HB11  AIB   6          1HB1      AIB   6  -0.960   7.712  -4.293
   41   HB12  AIB   6          2HB1      AIB   6  -1.718   8.964  -5.367
   42   HB13  AIB   6          3HB1      AIB   6  -0.167   9.331  -4.497
   43   HB21  AIB   6          1HB2      AIB   6  -1.930  11.154  -2.048
   44   HB22  AIB   6          2HB2      AIB   6  -0.363  10.241  -2.045
   45   HB23  AIB   6          3HB2      AIB   6  -0.851  11.202  -3.505
   46    HA   PRO   7           HA       PRO   7  -5.456  10.005  -5.437
   47    HB2  PRO   7          2HB       PRO   7  -6.944   7.735  -5.412
   48    HB3  PRO   7          3HB       PRO   7  -5.654   8.025  -6.585
   49    HG2  PRO   7          2HG       PRO   7  -5.595   6.408  -4.066
   50    HG3  PRO   7          3HG       PRO   7  -4.917   6.023  -5.659
   51    HD2  PRO   7          2HD       PRO   7  -3.404   6.959  -3.618
   52    HD3  PRO   7          3HD       PRO   7  -3.049   7.329  -5.318
   53    H    LEU   8           HN       LEU   8  -5.170   8.616  -2.311
   54    HA   LEU   8           HA       LEU   8  -7.808   8.715  -1.394
   55    HB2  LEU   8          2HB       LEU   8  -5.213   8.336  -0.289
   56    HB3  LEU   8          3HB       LEU   8  -6.081   9.495   0.716
   57    HG   LEU   8           HG       LEU   8  -6.917   6.672   0.061
   58   HD11  LEU   8          1HD1      LEU   8  -5.794   8.042   2.466
   59   HD12  LEU   8          2HD1      LEU   8  -5.353   6.494   1.748
   60   HD13  LEU   8          3HD1      LEU   8  -6.856   6.646   2.657
   61   HD21  LEU   8          1HD2      LEU   8  -8.772   7.194   1.703
   62   HD22  LEU   8          2HD2      LEU   8  -8.922   7.914   0.100
   63   HD23  LEU   8          3HD2      LEU   8  -8.379   8.896   1.461
   64    H    LEU   9           HN       LEU   9  -5.259  11.192  -1.245
   65    HA   LEU   9           HA       LEU   9  -7.362  13.191  -0.726
   66    HB2  LEU   9          2HB       LEU   9  -5.928  14.407   0.626
   67    HB3  LEU   9          3HB       LEU   9  -5.578  12.736   1.062
   68    HG   LEU   9           HG       LEU   9  -3.753  13.337  -0.955
   69   HD11  LEU   9          1HD1      LEU   9  -4.582  15.763  -0.278
   70   HD12  LEU   9          2HD1      LEU   9  -2.894  15.419  -0.656
   71   HD13  LEU   9          3HD1      LEU   9  -3.418  15.518   1.025
   72   HD21  LEU   9          1HD2      LEU   9  -2.240  12.668   0.595
   73   HD22  LEU   9          2HD2      LEU   9  -3.702  12.144   1.431
   74   HD23  LEU   9          3HD2      LEU   9  -2.934  13.670   1.870
   75    H    AIB  10           HN       AIB  10  -6.238  12.022  -3.268
   76   HB11  AIB  10          1HB1      AIB  10  -4.647  12.096  -5.883
   77   HB12  AIB  10          2HB1      AIB  10  -6.385  11.803  -5.451
   78   HB13  AIB  10          3HB1      AIB  10  -5.956  13.057  -6.692
   79   HB21  AIB  10          1HB2      AIB  10  -4.089  15.103  -3.986
   80   HB22  AIB  10          2HB2      AIB  10  -3.467  13.400  -4.057
   81   HB23  AIB  10          3HB2      AIB  10  -3.724  14.338  -5.590
   82    HA   PRO  11           HA       PRO  11  -8.473  16.148  -6.301
   83    HB2  PRO  11          2HB       PRO  11 -10.890  15.484  -5.257
   84    HB3  PRO  11          3HB       PRO  11 -10.192  14.666  -6.659
   85    HG2  PRO  11          2HG       PRO  11 -10.227  13.811  -3.791
   86    HG3  PRO  11          3HG       PRO  11 -10.520  12.846  -5.250
   87    HD2  PRO  11          2HD       PRO  11  -8.153  12.817  -3.935
   88    HD3  PRO  11          3HD       PRO  11  -8.272  12.604  -5.693
   89    H    DCL  12           HN       DCL  12  -9.057  15.071  -2.937
   90    HA   DCL  12           HA       DCL  12  -9.715  17.920  -2.071
   91    HC1  DCL  12          2HB1      DCL  12  -7.307  16.348  -0.902
   92    HC2  DCL  12          3HB1      DCL  12  -7.190  17.806  -1.975
   93    HB1  DCL  12          2HB       DCL  12 -10.148  16.886   0.151
   94    HB2  DCL  12          3HB       DCL  12 -11.047  16.021  -1.167
   95    HG   DCL  12           HG       DCL  12  -8.675  14.597  -1.099
   96   HD11  DCL  12          1HD1      DCL  12 -10.758  13.426  -1.126
   97   HD12  DCL  12          2HD1      DCL  12 -10.120  13.044   0.530
   98   HD13  DCL  12          3HD1      DCL  12 -11.389  14.325   0.318
   99   HD21  DCL  12          1HD2      DCL  12  -8.148  16.054   1.041
  100   HD22  DCL  12          2HD2      DCL  12  -9.354  14.969   1.855
  101   HD23  DCL  12          3HD2      DCL  12  -7.869  14.262   1.085
  102    HO   DCL  12          4H1       DCL  12  -7.509  19.032  -0.084
  Start of MODEL   14
    1    H1   ACE   1          1H1       ACE   1   1.157   0.090  -0.276
    2    H2   ACE   1          2H1       ACE   1  -0.226   0.070   0.844
    3    H3   ACE   1          3H1       ACE   1  -0.504   0.094  -0.914
    4    H    AIB   2           HN       AIB   2   2.198   1.859   0.091
    5   HB11  AIB   2          1HB1      AIB   2   3.141   5.403   0.481
    6   HB12  AIB   2          2HB1      AIB   2   3.442   3.722   1.092
    7   HB13  AIB   2          3HB1      AIB   2   3.586   4.083  -0.681
    8   HB21  AIB   2          1HB2      AIB   2   1.439   4.838   2.060
    9   HB22  AIB   2          2HB2      AIB   2   0.211   5.484   0.892
   10   HB23  AIB   2          3HB2      AIB   2   0.014   3.820   1.588
   11    H    ASN   3           HN       ASN   3   0.909   2.852  -2.192
   12    HA   ASN   3           HA       ASN   3   0.878   5.291  -3.723
   13    HB2  ASN   3          2HB       ASN   3   0.623   3.937  -5.622
   14    HB3  ASN   3          3HB       ASN   3   1.589   2.947  -4.532
   15   HD21  ASN   3          1HD2      ASN   3   0.553   1.242  -3.391
   16   HD22  ASN   3          2HD2      ASN   3  -0.884   0.516  -4.017
   17    H    ILE   4           HN       ILE   4  -1.386   3.478  -1.918
   18    HA   ILE   4           HA       ILE   4  -3.723   4.352  -3.357
   19    HB   ILE   4           HB       ILE   4  -3.562   3.147  -0.593
   20   HG12  ILE   4          2HG1      ILE   4  -2.535   1.680  -2.280
   21   HG13  ILE   4          3HG1      ILE   4  -4.047   1.006  -1.684
   22   HG21  ILE   4          1HG2      ILE   4  -5.942   2.381  -1.538
   23   HG22  ILE   4          2HG2      ILE   4  -5.705   3.877  -0.636
   24   HG23  ILE   4          3HG2      ILE   4  -5.776   3.912  -2.397
   25   HD11  ILE   4          1HD1      ILE   4  -5.174   1.879  -3.704
   26   HD12  ILE   4          2HD1      ILE   4  -3.602   2.403  -4.308
   27   HD13  ILE   4          3HD1      ILE   4  -3.921   0.688  -4.050
   28    H    ILE   5           HN       ILE   5  -1.839   5.450  -0.637
   29    HA   ILE   5           HA       ILE   5  -3.756   7.224   0.464
   30    HB   ILE   5           HB       ILE   5  -0.744   7.221   0.640
   31   HG12  ILE   5          2HG1      ILE   5  -2.908   6.338   2.562
   32   HG13  ILE   5          3HG1      ILE   5  -1.816   5.284   1.671
   33   HG21  ILE   5          1HG2      ILE   5  -2.750   8.902   2.135
   34   HG22  ILE   5          2HG2      ILE   5  -1.043   8.763   2.551
   35   HG23  ILE   5          3HG2      ILE   5  -1.519   9.474   1.009
   36   HD11  ILE   5          1HD1      ILE   5  -1.393   6.778   4.143
   37   HD12  ILE   5          2HD1      ILE   5  -0.609   5.315   3.546
   38   HD13  ILE   5          3HD1      ILE   5  -0.069   6.898   2.986
   39    H    AIB   6           HN       AIB   6  -1.564   7.335  -2.241
   40   HB11  AIB   6          1HB1      AIB   6  -1.425   9.204  -5.180
   41   HB12  AIB   6          2HB1      AIB   6   0.061   9.370  -4.152
   42   HB13  AIB   6          3HB1      AIB   6  -0.854   7.803  -4.179
   43   HB21  AIB   6          1HB2      AIB   6  -0.713  11.264  -3.147
   44   HB22  AIB   6          2HB2      AIB   6  -1.857  11.126  -1.747
   45   HB23  AIB   6          3HB2      AIB   6  -0.291  10.209  -1.734
   46    HA   PRO   7           HA       PRO   7  -5.183  10.214  -5.420
   47    HB2  PRO   7          2HB       PRO   7  -6.690   7.964  -5.605
   48    HB3  PRO   7          3HB       PRO   7  -5.329   8.299  -6.680
   49    HG2  PRO   7          2HG       PRO   7  -5.439   6.552  -4.252
   50    HG3  PRO   7          3HG       PRO   7  -4.668   6.242  -5.818
   51    HD2  PRO   7          2HD       PRO   7  -3.273   7.053  -3.643
   52    HD3  PRO   7          3HD       PRO   7  -2.812   7.506  -5.297
   53    H    LEU   8           HN       LEU   8  -5.103   8.658  -2.360
   54    HA   LEU   8           HA       LEU   8  -7.783   8.726  -1.593
   55    HB2  LEU   8          2HB       LEU   8  -5.259   8.300  -0.356
   56    HB3  LEU   8          3HB       LEU   8  -6.177   9.426   0.641
   57    HG   LEU   8           HG       LEU   8  -6.982   6.633  -0.159
   58   HD11  LEU   8          1HD1      LEU   8  -7.038   6.437   2.391
   59   HD12  LEU   8          2HD1      LEU   8  -6.080   7.917   2.396
   60   HD13  LEU   8          3HD1      LEU   8  -5.461   6.468   1.603
   61   HD21  LEU   8          1HD2      LEU   8  -9.018   7.730  -0.164
   62   HD22  LEU   8          2HD2      LEU   8  -8.525   8.872   1.086
   63   HD23  LEU   8          3HD2      LEU   8  -8.884   7.198   1.512
   64    H    LEU   9           HN       LEU   9  -5.278  11.224  -1.341
   65    HA   LEU   9           HA       LEU   9  -7.403  13.175  -0.740
   66    HB2  LEU   9          2HB       LEU   9  -5.957  14.388   0.609
   67    HB3  LEU   9          3HB       LEU   9  -5.593  12.711   1.012
   68    HG   LEU   9           HG       LEU   9  -3.798  13.362  -1.020
   69   HD11  LEU   9          1HD1      LEU   9  -3.448  15.499   1.006
   70   HD12  LEU   9          2HD1      LEU   9  -4.627  15.768  -0.276
   71   HD13  LEU   9          3HD1      LEU   9  -2.943  15.441  -0.683
   72   HD21  LEU   9          1HD2      LEU   9  -3.269  11.917   0.809
   73   HD22  LEU   9          2HD2      LEU   9  -3.501  13.219   1.976
   74   HD23  LEU   9          3HD2      LEU   9  -2.145  13.276   0.849
   75    H    AIB  10           HN       AIB  10  -6.326  12.095  -3.332
   76   HB11  AIB  10          1HB1      AIB  10  -6.239  13.194  -6.695
   77   HB12  AIB  10          2HB1      AIB  10  -4.768  12.344  -6.058
   78   HB13  AIB  10          3HB1      AIB  10  -6.418  11.870  -5.468
   79   HB21  AIB  10          1HB2      AIB  10  -3.858  14.437  -5.643
   80   HB22  AIB  10          2HB2      AIB  10  -4.229  15.246  -4.062
   81   HB23  AIB  10          3HB2      AIB  10  -3.595  13.546  -4.085
   82    HA   PRO  11           HA       PRO  11  -8.675  16.267  -6.192
   83    HB2  PRO  11          2HB       PRO  11 -11.049  15.573  -5.073
   84    HB3  PRO  11          3HB       PRO  11 -10.396  14.779  -6.511
   85    HG2  PRO  11          2HG       PRO  11 -10.325  13.882  -3.656
   86    HG3  PRO  11          3HG       PRO  11 -10.663  12.937  -5.118
   87    HD2  PRO  11          2HD       PRO  11  -8.251  12.904  -3.888
   88    HD3  PRO  11          3HD       PRO  11  -8.430  12.716  -5.645
   89    H    DCL  12           HN       DCL  12  -9.143  15.138  -2.827
   90    HA   DCL  12           HA       DCL  12  -9.844  17.937  -1.880
   91    HC1  DCL  12          2HB1      DCL  12  -7.644  16.981  -0.178
   92    HC2  DCL  12          3HB1      DCL  12  -7.085  17.064  -1.902
   93    HB1  DCL  12          2HB       DCL  12 -10.037  16.858   0.361
   94    HB2  DCL  12          3HB       DCL  12 -10.995  15.969  -0.897
   95    HG   DCL  12           HG       DCL  12  -8.269  14.909  -0.757
   96   HD11  DCL  12          1HD1      DCL  12  -9.885  12.879   0.092
   97   HD12  DCL  12          2HD1      DCL  12 -11.174  14.013  -0.496
   98   HD13  DCL  12          3HD1      DCL  12  -9.882  13.436  -1.635
   99   HD21  DCL  12          1HD2      DCL  12  -8.679  13.799   1.571
  100   HD22  DCL  12          2HD2      DCL  12  -8.055  15.502   1.532
  101   HD23  DCL  12          3HD2      DCL  12  -9.809  15.184   1.876
  102    HO   DCL  12          4H1       DCL  12  -7.080  19.324  -1.630
  Start of MODEL   15
    1    H1   ACE   1          1H1       ACE   1   1.406   0.551  -0.589
    2    H2   ACE   1          2H1       ACE   1   1.138   0.777   1.156
    3    H3   ACE   1          3H1       ACE   1  -0.237   0.417   0.084
    4    H    AIB   2           HN       AIB   2   2.559   2.572  -0.285
    5   HB11  AIB   2          1HB1      AIB   2   3.124   5.800  -1.508
    6   HB12  AIB   2          2HB1      AIB   2   3.331   5.642   0.287
    7   HB13  AIB   2          3HB1      AIB   2   3.751   4.252  -0.801
    8   HB21  AIB   2          1HB2      AIB   2   1.333   6.303   0.762
    9   HB22  AIB   2          2HB2      AIB   2  -0.166   5.332   0.443
   10   HB23  AIB   2          3HB2      AIB   2   1.101   4.700   1.578
   11    H    ASN   3           HN       ASN   3   0.751   2.966  -2.378
   12    HA   ASN   3           HA       ASN   3   0.226   5.034  -4.312
   13    HB2  ASN   3          2HB       ASN   3  -0.417   2.077  -4.401
   14    HB3  ASN   3          3HB       ASN   3  -0.501   3.190  -5.764
   15   HD21  ASN   3          1HD2      ASN   3   0.981   1.120  -6.235
   16   HD22  ASN   3          2HD2      ASN   3   2.670   1.464  -6.122
   17    H    ILE   4           HN       ILE   4  -1.517   3.514  -1.807
   18    HA   ILE   4           HA       ILE   4  -4.124   4.072  -2.975
   19    HB   ILE   4           HB       ILE   4  -3.510   3.036  -0.208
   20   HG12  ILE   4          2HG1      ILE   4  -2.577   1.547  -1.936
   21   HG13  ILE   4          3HG1      ILE   4  -3.937   0.800  -1.105
   22   HG21  ILE   4          1HG2      ILE   4  -5.693   3.545   0.009
   23   HG22  ILE   4          2HG2      ILE   4  -5.966   3.582  -1.732
   24   HG23  ILE   4          3HG2      ILE   4  -5.927   2.039  -0.879
   25   HD11  ILE   4          1HD1      ILE   4  -4.959   2.169  -3.356
   26   HD12  ILE   4          2HD1      ILE   4  -3.565   1.224  -3.881
   27   HD13  ILE   4          3HD1      ILE   4  -4.905   0.432  -3.052
   28    H    ILE   5           HN       ILE   5  -1.866   5.475  -0.762
   29    HA   ILE   5           HA       ILE   5  -3.786   7.251   0.463
   30    HB   ILE   5           HB       ILE   5  -0.768   7.229   0.591
   31   HG12  ILE   5          2HG1      ILE   5  -2.872   6.288   2.553
   32   HG13  ILE   5          3HG1      ILE   5  -1.803   5.257   1.609
   33   HG21  ILE   5          1HG2      ILE   5  -1.612   9.462   0.999
   34   HG22  ILE   5          2HG2      ILE   5  -2.771   8.836   2.171
   35   HG23  ILE   5          3HG2      ILE   5  -1.042   8.750   2.508
   36   HD11  ILE   5          1HD1      ILE   5  -0.006   6.825   2.879
   37   HD12  ILE   5          2HD1      ILE   5  -1.297   6.743   4.079
   38   HD13  ILE   5          3HD1      ILE   5  -0.564   5.260   3.468
   39    H    AIB   6           HN       AIB   6  -1.634   7.184  -2.273
   40   HB11  AIB   6          1HB1      AIB   6  -1.497   8.943  -5.287
   41   HB12  AIB   6          2HB1      AIB   6   0.020   9.064  -4.300
   42   HB13  AIB   6          3HB1      AIB   6  -0.975   7.546  -4.255
   43   HB21  AIB   6          1HB2      AIB   6  -0.628  11.023  -3.350
   44   HB22  AIB   6          2HB2      AIB   6  -1.759  11.006  -1.931
   45   HB23  AIB   6          3HB2      AIB   6  -0.242  10.009  -1.896
   46    HA   PRO   7           HA       PRO   7  -5.219  10.103  -5.467
   47    HB2  PRO   7          2HB       PRO   7  -6.834   7.921  -5.517
   48    HB3  PRO   7          3HB       PRO   7  -5.489   8.147  -6.642
   49    HG2  PRO   7          2HG       PRO   7  -5.610   6.507  -4.141
   50    HG3  PRO   7          3HG       PRO   7  -4.900   6.098  -5.714
   51    HD2  PRO   7          2HD       PRO   7  -3.407   6.928  -3.613
   52    HD3  PRO   7          3HD       PRO   7  -2.973   7.292  -5.295
   53    H    LEU   8           HN       LEU   8  -5.121   8.671  -2.348
   54    HA   LEU   8           HA       LEU   8  -7.773   8.897  -1.513
   55    HB2  LEU   8          2HB       LEU   8  -5.236   8.401  -0.327
   56    HB3  LEU   8          3HB       LEU   8  -6.072   9.608   0.647
   57    HG   LEU   8           HG       LEU   8  -7.029   6.826  -0.017
   58   HD11  LEU   8          1HD1      LEU   8  -5.349   7.749   1.992
   59   HD12  LEU   8          2HD1      LEU   8  -6.206   6.208   1.951
   60   HD13  LEU   8          3HD1      LEU   8  -6.927   7.597   2.765
   61   HD21  LEU   8          1HD2      LEU   8  -9.075   7.734   0.128
   62   HD22  LEU   8          2HD2      LEU   8  -8.475   9.222   0.861
   63   HD23  LEU   8          3HD2      LEU   8  -8.743   7.792   1.859
   64    H    LEU   9           HN       LEU   9  -5.146  11.279  -1.430
   65    HA   LEU   9           HA       LEU   9  -7.159  13.353  -0.853
   66    HB2  LEU   9          2HB       LEU   9  -4.230  13.660  -0.300
   67    HB3  LEU   9          3HB       LEU   9  -5.581  14.579   0.362
   68    HG   LEU   9           HG       LEU   9  -4.965  11.702   1.031
   69   HD11  LEU   9          1HD1      LEU   9  -4.615  14.007   2.901
   70   HD12  LEU   9          2HD1      LEU   9  -3.327  13.567   1.780
   71   HD13  LEU   9          3HD1      LEU   9  -3.904  12.394   2.963
   72   HD21  LEU   9          1HD2      LEU   9  -6.671  11.831   2.631
   73   HD22  LEU   9          2HD2      LEU   9  -7.362  12.567   1.184
   74   HD23  LEU   9          3HD2      LEU   9  -6.781  13.587   2.501
   75    H    AIB  10           HN       AIB  10  -6.208  12.120  -3.426
   76   HB11  AIB  10          1HB1      AIB  10  -4.718  12.147  -6.157
   77   HB12  AIB  10          2HB1      AIB  10  -6.407  11.841  -5.570
   78   HB13  AIB  10          3HB1      AIB  10  -6.104  13.088  -6.853
   79   HB21  AIB  10          1HB2      AIB  10  -3.724  14.331  -5.891
   80   HB22  AIB  10          2HB2      AIB  10  -3.978  15.099  -4.267
   81   HB23  AIB  10          3HB2      AIB  10  -3.420  13.375  -4.380
   82    HA   PRO  11           HA       PRO  11  -8.442  16.274  -6.399
   83    HB2  PRO  11          2HB       PRO  11 -10.814  15.732  -5.196
   84    HB3  PRO  11          3HB       PRO  11 -10.235  14.854  -6.616
   85    HG2  PRO  11          2HG       PRO  11 -10.129  14.069  -3.729
   86    HG3  PRO  11          3HG       PRO  11 -10.546  13.082  -5.142
   87    HD2  PRO  11          2HD       PRO  11  -8.107  12.990  -3.971
   88    HD3  PRO  11          3HD       PRO  11  -8.339  12.740  -5.713
   89    H    DCL  12           HN       DCL  12  -8.874  15.302  -2.981
   90    HA   DCL  12           HA       DCL  12  -9.427  18.165  -2.133
   91    HC1  DCL  12          2HB1      DCL  12  -7.227  17.180  -0.447
   92    HC2  DCL  12          3HB1      DCL  12  -6.709  17.171  -2.186
   93    HB1  DCL  12          2HB       DCL  12  -9.607  17.186   0.155
   94    HB2  DCL  12          3HB       DCL  12 -10.637  16.292  -1.042
   95    HG   DCL  12           HG       DCL  12  -7.956  15.117  -0.925
   96   HD11  DCL  12          1HD1      DCL  12  -9.580  13.167  -0.011
   97   HD12  DCL  12          2HD1      DCL  12 -10.887  14.338  -0.477
   98   HD13  DCL  12          3HD1      DCL  12  -9.714  13.740  -1.728
   99   HD21  DCL  12          1HD2      DCL  12  -9.160  15.932   1.681
  100   HD22  DCL  12          2HD2      DCL  12  -8.790  14.160   1.555
  101   HD23  DCL  12          3HD2      DCL  12  -7.477  15.384   1.282
  102    HO   DCL  12          4H1       DCL  12  -6.600  19.437  -2.005
  Start of MODEL   16
    1    H1   ACE   1          1H1       ACE   1   1.862  -0.285   0.568
    2    H2   ACE   1          2H1       ACE   1   0.669   0.066   1.842
    3    H3   ACE   1          3H1       ACE   1   0.226   0.262   0.129
    4    H    AIB   2           HN       AIB   2   0.536   2.056  -0.915
    5   HB11  AIB   2          1HB1      AIB   2   3.454   3.157   0.121
    6   HB12  AIB   2          2HB1      AIB   2   3.372   4.250  -1.324
    7   HB13  AIB   2          3HB1      AIB   2   3.312   4.951   0.349
    8   HB21  AIB   2          1HB2      AIB   2   1.525   4.548   1.802
    9   HB22  AIB   2          2HB2      AIB   2   0.932   5.836   0.671
   10   HB23  AIB   2          3HB2      AIB   2  -0.134   4.425   1.080
   11    H    ASN   3           HN       ASN   3   0.945   2.809  -2.562
   12    HA   ASN   3           HA       ASN   3   0.792   5.187  -4.129
   13    HB2  ASN   3          2HB       ASN   3  -0.217   2.425  -4.841
   14    HB3  ASN   3          3HB       ASN   3   0.174   3.728  -5.959
   15   HD21  ASN   3          1HD2      ASN   3   1.323   1.033  -4.297
   16   HD22  ASN   3          2HD2      ASN   3   2.998   1.194  -4.690
   17    H    ILE   4           HN       ILE   4  -1.428   3.488  -2.160
   18    HA   ILE   4           HA       ILE   4  -3.806   4.411  -3.502
   19    HB   ILE   4           HB       ILE   4  -3.602   3.272  -0.717
   20   HG12  ILE   4          2HG1      ILE   4  -4.006   1.818  -3.340
   21   HG13  ILE   4          3HG1      ILE   4  -2.557   1.749  -2.343
   22   HG21  ILE   4          1HG2      ILE   4  -5.806   3.509  -0.650
   23   HG22  ILE   4          2HG2      ILE   4  -5.752   4.320  -2.214
   24   HG23  ILE   4          3HG2      ILE   4  -5.975   2.572  -2.135
   25   HD11  ILE   4          1HD1      ILE   4  -4.524   1.028  -0.584
   26   HD12  ILE   4          2HD1      ILE   4  -5.069   0.307  -2.099
   27   HD13  ILE   4          3HD1      ILE   4  -3.469  -0.077  -1.464
   28    H    ILE   5           HN       ILE   5  -1.735   5.502  -0.931
   29    HA   ILE   5           HA       ILE   5  -3.532   7.320   0.288
   30    HB   ILE   5           HB       ILE   5  -0.519   7.231   0.228
   31   HG12  ILE   5          2HG1      ILE   5  -1.820   5.429   1.431
   32   HG13  ILE   5          3HG1      ILE   5  -0.694   6.336   2.436
   33   HG21  ILE   5          1HG2      ILE   5  -1.003   9.511   0.575
   34   HG22  ILE   5          2HG2      ILE   5  -2.365   9.142   1.632
   35   HG23  ILE   5          3HG2      ILE   5  -0.716   8.840   2.180
   36   HD11  ILE   5          1HD1      ILE   5  -3.084   5.812   3.297
   37   HD12  ILE   5          2HD1      ILE   5  -2.374   7.401   3.585
   38   HD13  ILE   5          3HD1      ILE   5  -3.547   7.182   2.287
   39    H    AIB   6           HN       AIB   6  -1.530   7.375  -2.571
   40   HB11  AIB   6          1HB1      AIB   6  -1.567   9.191  -5.540
   41   HB12  AIB   6          2HB1      AIB   6  -0.026   9.398  -4.605
   42   HB13  AIB   6          3HB1      AIB   6  -0.920   7.819  -4.546
   43   HB21  AIB   6          1HB2      AIB   6  -1.824  11.186  -2.136
   44   HB22  AIB   6          2HB2      AIB   6  -0.258  10.271  -2.165
   45   HB23  AIB   6          3HB2      AIB   6  -0.741  11.289  -3.587
   46    HA   PRO   7           HA       PRO   7  -5.338  10.175  -5.584
   47    HB2  PRO   7          2HB       PRO   7  -6.834   7.911  -5.644
   48    HB3  PRO   7          3HB       PRO   7  -5.538   8.237  -6.801
   49    HG2  PRO   7          2HG       PRO   7  -5.496   6.532  -4.341
   50    HG3  PRO   7          3HG       PRO   7  -4.813   6.201  -5.943
   51    HD2  PRO   7          2HD       PRO   7  -3.304   7.060  -3.865
   52    HD3  PRO   7          3HD       PRO   7  -2.941   7.487  -5.549
   53    H    LEU   8           HN       LEU   8  -5.074   8.669  -2.508
   54    HA   LEU   8           HA       LEU   8  -7.713   8.747  -1.599
   55    HB2  LEU   8          2HB       LEU   8  -5.125   8.320  -0.498
   56    HB3  LEU   8          3HB       LEU   8  -5.988   9.452   0.542
   57    HG   LEU   8           HG       LEU   8  -6.839   6.656  -0.205
   58   HD11  LEU   8          1HD1      LEU   8  -6.803   6.628   2.426
   59   HD12  LEU   8          2HD1      LEU   8  -5.639   7.932   2.198
   60   HD13  LEU   8          3HD1      LEU   8  -5.336   6.347   1.488
   61   HD21  LEU   8          1HD2      LEU   8  -8.296   8.869   1.205
   62   HD22  LEU   8          2HD2      LEU   8  -8.676   7.172   1.498
   63   HD23  LEU   8          3HD2      LEU   8  -8.851   7.848  -0.122
   64    H    LEU   9           HN       LEU   9  -5.196  11.238  -1.556
   65    HA   LEU   9           HA       LEU   9  -7.263  13.201  -0.810
   66    HB2  LEU   9          2HB       LEU   9  -4.339  13.680  -0.414
   67    HB3  LEU   9          3HB       LEU   9  -5.710  14.434   0.398
   68    HG   LEU   9           HG       LEU   9  -4.715  11.619   0.842
   69   HD11  LEU   9          1HD1      LEU   9  -4.702  13.351   3.134
   70   HD12  LEU   9          2HD1      LEU   9  -3.746  14.050   1.828
   71   HD13  LEU   9          3HD1      LEU   9  -3.381  12.429   2.417
   72   HD21  LEU   9          1HD2      LEU   9  -7.192  11.977   1.080
   73   HD22  LEU   9          2HD2      LEU   9  -6.829  13.119   2.374
   74   HD23  LEU   9          3HD2      LEU   9  -6.366  11.425   2.538
   75    H    AIB  10           HN       AIB  10  -6.360  12.075  -3.463
   76   HB11  AIB  10          1HB1      AIB  10  -6.652  11.845  -5.613
   77   HB12  AIB  10          2HB1      AIB  10  -6.437  13.131  -6.875
   78   HB13  AIB  10          3HB1      AIB  10  -4.993  12.240  -6.231
   79   HB21  AIB  10          1HB2      AIB  10  -3.710  13.566  -4.427
   80   HB22  AIB  10          2HB2      AIB  10  -4.099  14.428  -5.975
   81   HB23  AIB  10          3HB2      AIB  10  -4.380  15.251  -4.382
   82    HA   PRO  11           HA       PRO  11  -8.963  16.151  -6.254
   83    HB2  PRO  11          2HB       PRO  11 -11.263  15.395  -5.026
   84    HB3  PRO  11          3HB       PRO  11 -10.657  14.618  -6.493
   85    HG2  PRO  11          2HG       PRO  11 -10.430  13.726  -3.644
   86    HG3  PRO  11          3HG       PRO  11 -10.810  12.771  -5.089
   87    HD2  PRO  11          2HD       PRO  11  -8.344  12.803  -3.972
   88    HD3  PRO  11          3HD       PRO  11  -8.599  12.608  -5.718
   89    H    DCL  12           HN       DCL  12  -8.132  15.294  -3.030
   90    HA   DCL  12           HA       DCL  12  -9.628  17.447  -1.591
   91    HC1  DCL  12          2HB1      DCL  12  -6.606  17.978  -1.950
   92    HC2  DCL  12          3HB1      DCL  12  -7.847  18.721  -3.045
   93    HB1  DCL  12          2HB       DCL  12  -7.270  15.604  -0.938
   94    HB2  DCL  12          3HB       DCL  12  -7.702  16.977   0.167
   95    HG   DCL  12           HG       DCL  12  -9.666  14.803  -0.772
   96   HD11  DCL  12          1HD1      DCL  12 -10.818  15.773   1.431
   97   HD12  DCL  12          2HD1      DCL  12  -9.718  17.192   1.166
   98   HD13  DCL  12          3HD1      DCL  12 -10.926  16.728  -0.108
   99   HD21  DCL  12          1HD2      DCL  12  -8.626  13.440   0.708
  100   HD22  DCL  12          2HD2      DCL  12  -7.608  14.793   1.362
  101   HD23  DCL  12          3HD2      DCL  12  -9.286  14.526   2.003
  102    HO   DCL  12          4H1       DCL  12  -8.224  20.201  -1.358
  Start of MODEL   17
    1    H1   ACE   1          1H1       ACE   1   1.558  -0.355   1.685
    2    H2   ACE   1          2H1       ACE   1  -0.099   0.218   1.377
    3    H3   ACE   1          3H1       ACE   1   0.995  -0.116   0.013
    4    H    AIB   2           HN       AIB   2   0.472   1.956  -0.746
    5   HB11  AIB   2          1HB1      AIB   2   3.344   3.750   0.916
    6   HB12  AIB   2          2HB1      AIB   2   3.395   3.221  -0.819
    7   HB13  AIB   2          3HB1      AIB   2   3.274   4.985  -0.411
    8   HB21  AIB   2          1HB2      AIB   2   1.469   4.437   1.970
    9   HB22  AIB   2          2HB2      AIB   2   0.916   5.737   0.832
   10   HB23  AIB   2          3HB2      AIB   2  -0.184   4.349   1.229
   11    H    ASN   3           HN       ASN   3   0.907   2.698  -2.395
   12    HA   ASN   3           HA       ASN   3   0.791   5.072  -3.970
   13    HB2  ASN   3          2HB       ASN   3   0.079   2.192  -4.508
   14    HB3  ASN   3          3HB       ASN   3  -0.169   3.454  -5.711
   15   HD21  ASN   3          1HD2      ASN   3   1.667   1.067  -5.475
   16   HD22  ASN   3          2HD2      ASN   3   3.232   1.703  -5.835
   17    H    ILE   4           HN       ILE   4  -1.462   3.402  -2.014
   18    HA   ILE   4           HA       ILE   4  -3.822   4.339  -3.376
   19    HB   ILE   4           HB       ILE   4  -3.646   3.230  -0.576
   20   HG12  ILE   4          2HG1      ILE   4  -2.610   1.660  -2.142
   21   HG13  ILE   4          3HG1      ILE   4  -4.158   1.039  -1.579
   22   HG21  ILE   4          1HG2      ILE   4  -6.022   2.446  -1.740
   23   HG22  ILE   4          2HG2      ILE   4  -5.812   3.755  -0.579
   24   HG23  ILE   4          3HG2      ILE   4  -5.807   4.101  -2.308
   25   HD11  ILE   4          1HD1      ILE   4  -5.153   1.956  -3.705
   26   HD12  ILE   4          2HD1      ILE   4  -3.499   2.219  -4.257
   27   HD13  ILE   4          3HD1      ILE   4  -4.055   0.588  -3.884
   28    H    ILE   5           HN       ILE   5  -1.748   5.448  -0.818
   29    HA   ILE   5           HA       ILE   5  -3.533   7.291   0.380
   30    HB   ILE   5           HB       ILE   5  -0.521   7.182   0.319
   31   HG12  ILE   5          2HG1      ILE   5  -1.840   5.407   1.548
   32   HG13  ILE   5          3HG1      ILE   5  -0.698   6.313   2.534
   33   HG21  ILE   5          1HG2      ILE   5  -0.980   9.468   0.637
   34   HG22  ILE   5          2HG2      ILE   5  -2.354   9.128   1.688
   35   HG23  ILE   5          3HG2      ILE   5  -0.713   8.817   2.254
   36   HD11  ILE   5          1HD1      ILE   5  -2.338   7.344   3.728
   37   HD12  ILE   5          2HD1      ILE   5  -3.504   7.265   2.407
   38   HD13  ILE   5          3HD1      ILE   5  -3.144   5.821   3.352
   39    H    AIB   6           HN       AIB   6  -1.534   7.299  -2.481
   40   HB11  AIB   6          1HB1      AIB   6  -1.607   8.986  -5.464
   41   HB12  AIB   6          2HB1      AIB   6  -0.059   9.366  -4.598
   42   HB13  AIB   6          3HB1      AIB   6  -0.829   7.733  -4.408
   43   HB21  AIB   6          1HB2      AIB   6  -1.811  11.116  -2.092
   44   HB22  AIB   6          2HB2      AIB   6  -0.247  10.195  -2.111
   45   HB23  AIB   6          3HB2      AIB   6  -0.728  11.199  -3.545
   46    HA   PRO   7           HA       PRO   7  -5.326  10.076  -5.532
   47    HB2  PRO   7          2HB       PRO   7  -6.832   7.816  -5.564
   48    HB3  PRO   7          3HB       PRO   7  -5.533   8.122  -6.724
   49    HG2  PRO   7          2HG       PRO   7  -5.500   6.450  -4.241
   50    HG3  PRO   7          3HG       PRO   7  -4.817   6.095  -5.838
   51    HD2  PRO   7          2HD       PRO   7  -3.306   6.975  -3.770
   52    HD3  PRO   7          3HD       PRO   7  -2.940   7.379  -5.460
   53    H    LEU   8           HN       LEU   8  -5.070   8.609  -2.437
   54    HA   LEU   8           HA       LEU   8  -7.710   8.708  -1.530
   55    HB2  LEU   8          2HB       LEU   8  -5.123   8.288  -0.421
   56    HB3  LEU   8          3HB       LEU   8  -5.984   9.437   0.602
   57    HG   LEU   8           HG       LEU   8  -6.843   6.634  -0.106
   58   HD11  LEU   8          1HD1      LEU   8  -6.825   6.830   2.596
   59   HD12  LEU   8          2HD1      LEU   8  -5.479   7.887   2.171
   60   HD13  LEU   8          3HD1      LEU   8  -5.486   6.209   1.630
   61   HD21  LEU   8          1HD2      LEU   8  -8.656   7.222   1.639
   62   HD22  LEU   8          2HD2      LEU   8  -8.867   7.764  -0.026
   63   HD23  LEU   8          3HD2      LEU   8  -8.303   8.895   1.206
   64    H    LEU   9           HN       LEU   9  -5.185  11.192  -1.516
   65    HA   LEU   9           HA       LEU   9  -7.248  13.171  -0.801
   66    HB2  LEU   9          2HB       LEU   9  -4.324  13.044  -0.137
   67    HB3  LEU   9          3HB       LEU   9  -5.228  14.554  -0.055
   68    HG   LEU   9           HG       LEU   9  -6.783  12.909   1.461
   69   HD11  LEU   9          1HD1      LEU   9  -5.570  11.419   2.711
   70   HD12  LEU   9          2HD1      LEU   9  -4.038  12.235   2.402
   71   HD13  LEU   9          3HD1      LEU   9  -4.782  11.249   1.143
   72   HD21  LEU   9          1HD2      LEU   9  -6.040  14.182   3.297
   73   HD22  LEU   9          2HD2      LEU   9  -5.859  15.232   1.892
   74   HD23  LEU   9          3HD2      LEU   9  -4.446  14.432   2.583
   75    H    AIB  10           HN       AIB  10  -6.340  12.006  -3.437
   76   HB11  AIB  10          1HB1      AIB  10  -6.422  13.019  -6.859
   77   HB12  AIB  10          2HB1      AIB  10  -4.975  12.134  -6.213
   78   HB13  AIB  10          3HB1      AIB  10  -6.632  11.749  -5.581
   79   HB21  AIB  10          1HB2      AIB  10  -4.326  15.123  -4.338
   80   HB22  AIB  10          2HB2      AIB  10  -3.674  13.436  -4.482
   81   HB23  AIB  10          3HB2      AIB  10  -4.094  14.379  -5.975
   82    HA   PRO  11           HA       PRO  11  -8.918  16.065  -6.280
   83    HB2  PRO  11          2HB       PRO  11 -11.224  15.343  -5.042
   84    HB3  PRO  11          3HB       PRO  11 -10.623  14.541  -6.499
   85    HG2  PRO  11          2HG       PRO  11 -10.402  13.686  -3.639
   86    HG3  PRO  11          3HG       PRO  11 -10.790  12.714  -5.070
   87    HD2  PRO  11          2HD       PRO  11  -8.323  12.744  -3.954
   88    HD3  PRO  11          3HD       PRO  11  -8.580  12.527  -5.697
   89    H    DCL  12           HN       DCL  12  -8.103  15.240  -3.042
   90    HA   DCL  12           HA       DCL  12  -9.568  17.470  -1.666
   91    HC1  DCL  12          2HB1      DCL  12  -6.628  18.027  -1.479
   92    HC2  DCL  12          3HB1      DCL  12  -7.307  18.295  -3.140
   93    HB1  DCL  12          2HB       DCL  12  -7.318  15.531  -0.909
   94    HB2  DCL  12          3HB       DCL  12  -7.745  16.928   0.168
   95    HG   DCL  12           HG       DCL  12  -9.744  14.816  -0.837
   96   HD11  DCL  12          1HD1      DCL  12 -10.902  15.876   1.360
   97   HD12  DCL  12          2HD1      DCL  12  -9.802  17.273   0.993
   98   HD13  DCL  12          3HD1      DCL  12 -11.018  16.725  -0.240
   99   HD21  DCL  12          1HD2      DCL  12  -7.901  14.897   1.554
  100   HD22  DCL  12          2HD2      DCL  12  -9.616  14.379   1.849
  101   HD23  DCL  12          3HD2      DCL  12  -8.590  13.486   0.646
  102    HO   DCL  12          4H1       DCL  12  -8.255  20.177  -2.281
  Start of MODEL   18
    1    H1   ACE   1          1H1       ACE   1  -0.026   0.249   0.512
    2    H2   ACE   1          2H1       ACE   1   1.646  -0.280   0.208
    3    H3   ACE   1          3H1       ACE   1   1.031  -0.186   1.876
    4    H    AIB   2           HN       AIB   2   0.564   2.011  -0.859
    5   HB11  AIB   2          1HB1      AIB   2   3.370   3.788   0.928
    6   HB12  AIB   2          2HB1      AIB   2   3.474   3.307  -0.819
    7   HB13  AIB   2          3HB1      AIB   2   3.323   5.058  -0.367
    8   HB21  AIB   2          1HB2      AIB   2   0.926   5.753   0.831
    9   HB22  AIB   2          2HB2      AIB   2  -0.171   4.346   1.160
   10   HB23  AIB   2          3HB2      AIB   2   1.462   4.428   1.948
   11    H    ASN   3           HN       ASN   3   1.034   2.802  -2.475
   12    HA   ASN   3           HA       ASN   3   0.937   5.216  -3.989
   13    HB2  ASN   3          2HB       ASN   3   0.261   3.759  -5.860
   14    HB3  ASN   3          3HB       ASN   3   1.662   3.115  -5.008
   15   HD21  ASN   3          1HD2      ASN   3  -1.459   2.504  -6.114
   16   HD22  ASN   3          2HD2      ASN   3  -1.698   0.971  -5.353
   17    H    ILE   4           HN       ILE   4  -1.351   3.472  -2.140
   18    HA   ILE   4           HA       ILE   4  -3.683   4.422  -3.541
   19    HB   ILE   4           HB       ILE   4  -3.546   3.222  -0.775
   20   HG12  ILE   4          2HG1      ILE   4  -4.455   1.229  -2.396
   21   HG13  ILE   4          3HG1      ILE   4  -3.296   2.020  -3.459
   22   HG21  ILE   4          1HG2      ILE   4  -5.914   2.611  -2.253
   23   HG22  ILE   4          2HG2      ILE   4  -5.750   3.469  -0.723
   24   HG23  ILE   4          3HG2      ILE   4  -5.663   4.356  -2.244
   25   HD11  ILE   4          1HD1      ILE   4  -2.804   0.168  -1.392
   26   HD12  ILE   4          2HD1      ILE   4  -1.639   0.984  -2.435
   27   HD13  ILE   4          3HD1      ILE   4  -2.107   1.710  -0.897
   28    H    ILE   5           HN       ILE   5  -1.690   5.484  -0.900
   29    HA   ILE   5           HA       ILE   5  -3.526   7.277   0.297
   30    HB   ILE   5           HB       ILE   5  -0.512   7.200   0.314
   31   HG12  ILE   5          2HG1      ILE   5  -1.845   5.380   1.461
   32   HG13  ILE   5          3HG1      ILE   5  -0.739   6.271   2.501
   33   HG21  ILE   5          1HG2      ILE   5  -0.993   8.737   2.408
   34   HG22  ILE   5          2HG2      ILE   5  -0.780   9.415   0.795
   35   HG23  ILE   5          3HG2      ILE   5  -2.402   9.192   1.449
   36   HD11  ILE   5          1HD1      ILE   5  -3.267   5.737   3.160
   37   HD12  ILE   5          2HD1      ILE   5  -2.404   7.168   3.725
   38   HD13  ILE   5          3HD1      ILE   5  -3.502   7.286   2.351
   39    H    AIB   6           HN       AIB   6  -1.451   7.380  -2.508
   40   HB11  AIB   6          1HB1      AIB   6   0.120   9.387  -4.433
   41   HB12  AIB   6          2HB1      AIB   6  -0.843   7.850  -4.496
   42   HB13  AIB   6          3HB1      AIB   6  -1.380   9.298  -5.450
   43   HB21  AIB   6          1HB2      AIB   6  -0.164  10.284  -2.084
   44   HB22  AIB   6          2HB2      AIB   6  -0.720  11.348  -3.444
   45   HB23  AIB   6          3HB2      AIB   6  -1.759  11.139  -1.971
   46    HA   PRO   7           HA       PRO   7  -5.190  10.198  -5.586
   47    HB2  PRO   7          2HB       PRO   7  -6.670   7.926  -5.717
   48    HB3  PRO   7          3HB       PRO   7  -5.345   8.275  -6.834
   49    HG2  PRO   7          2HG       PRO   7  -5.360   6.538  -4.395
   50    HG3  PRO   7          3HG       PRO   7  -4.631   6.232  -5.982
   51    HD2  PRO   7          2HD       PRO   7  -3.185   7.072  -3.852
   52    HD3  PRO   7          3HD       PRO   7  -2.779   7.524  -5.520
   53    H    LEU   8           HN       LEU   8  -5.002   8.653  -2.524
   54    HA   LEU   8           HA       LEU   8  -7.665   8.702  -1.687
   55    HB2  LEU   8          2HB       LEU   8  -5.104   8.280  -0.520
   56    HB3  LEU   8          3HB       LEU   8  -6.004   9.393   0.509
   57    HG   LEU   8           HG       LEU   8  -6.813   6.601  -0.293
   58   HD11  LEU   8          1HD1      LEU   8  -6.032   7.842   2.339
   59   HD12  LEU   8          2HD1      LEU   8  -5.149   6.611   1.437
   60   HD13  LEU   8          3HD1      LEU   8  -6.713   6.226   2.155
   61   HD21  LEU   8          1HD2      LEU   8  -8.424   8.853   0.500
   62   HD22  LEU   8          2HD2      LEU   8  -8.516   7.564   1.700
   63   HD23  LEU   8          3HD2      LEU   8  -8.921   7.231   0.016
   64    H    LEU   9           HN       LEU   9  -5.168  11.210  -1.540
   65    HA   LEU   9           HA       LEU   9  -7.272  13.149  -0.831
   66    HB2  LEU   9          2HB       LEU   9  -4.327  13.213  -0.194
   67    HB3  LEU   9          3HB       LEU   9  -5.454  14.527   0.135
   68    HG   LEU   9           HG       LEU   9  -6.564  12.279   1.372
   69   HD11  LEU   9          1HD1      LEU   9  -4.005  11.558   0.978
   70   HD12  LEU   9          2HD1      LEU   9  -4.955  11.065   2.380
   71   HD13  LEU   9          3HD1      LEU   9  -3.846  12.432   2.503
   72   HD21  LEU   9          1HD2      LEU   9  -4.878  14.277   2.826
   73   HD22  LEU   9          2HD2      LEU   9  -6.425  13.568   3.289
   74   HD23  LEU   9          3HD2      LEU   9  -6.359  14.783   2.012
   75    H    AIB  10           HN       AIB  10  -6.280  12.063  -3.471
   76   HB11  AIB  10          1HB1      AIB  10  -4.840  12.291  -6.218
   77   HB12  AIB  10          2HB1      AIB  10  -6.495  11.849  -5.621
   78   HB13  AIB  10          3HB1      AIB  10  -6.297  13.160  -6.861
   79   HB21  AIB  10          1HB2      AIB  10  -4.290  15.260  -4.299
   80   HB22  AIB  10          2HB2      AIB  10  -3.615  13.577  -4.337
   81   HB23  AIB  10          3HB2      AIB  10  -3.962  14.451  -5.889
   82    HA   PRO  11           HA       PRO  11  -8.822  16.171  -6.276
   83    HB2  PRO  11          2HB       PRO  11 -11.152  15.396  -5.119
   84    HB3  PRO  11          3HB       PRO  11 -10.506  14.638  -6.579
   85    HG2  PRO  11          2HG       PRO  11 -10.352  13.711  -3.737
   86    HG3  PRO  11          3HG       PRO  11 -10.692  12.773  -5.203
   87    HD2  PRO  11          2HD       PRO  11  -8.256  12.796  -4.021
   88    HD3  PRO  11          3HD       PRO  11  -8.464  12.622  -5.775
   89    H    DCL  12           HN       DCL  12  -8.088  15.268  -3.038
   90    HA   DCL  12           HA       DCL  12  -9.610  17.449  -1.647
   91    HC1  DCL  12          2HB1      DCL  12  -6.550  17.842  -1.856
   92    HC2  DCL  12          3HB1      DCL  12  -7.718  18.685  -2.959
   93    HB1  DCL  12          2HB       DCL  12  -7.364  15.510  -0.877
   94    HB2  DCL  12          3HB       DCL  12  -7.835  16.874   0.223
   95    HG   DCL  12           HG       DCL  12  -9.785  14.774  -0.893
   96   HD11  DCL  12          1HD1      DCL  12 -10.661  15.990   1.570
   97   HD12  DCL  12          2HD1      DCL  12 -10.023  17.343   0.543
   98   HD13  DCL  12          3HD1      DCL  12 -11.337  16.263  -0.091
   99   HD21  DCL  12          1HD2      DCL  12  -8.955  14.901   2.028
  100   HD22  DCL  12          2HD2      DCL  12  -9.578  13.506   1.048
  101   HD23  DCL  12          3HD2      DCL  12  -7.865  14.071   0.839
  102    HO   DCL  12          4H1       DCL  12  -8.076  20.121  -1.230
  Start of MODEL   19
    1    H1   ACE   1          1H1       ACE   1   1.781  -0.412   1.196
    2    H2   ACE   1          2H1       ACE   1   0.218   0.118   1.863
    3    H3   ACE   1          3H1       ACE   1   0.460   0.059   0.100
    4    H    AIB   2           HN       AIB   2   0.467   1.941  -0.739
    5   HB11  AIB   2          1HB1      AIB   2   3.406   3.009   0.273
    6   HB12  AIB   2          2HB1      AIB   2   3.338   4.080  -1.190
    7   HB13  AIB   2          3HB1      AIB   2   3.294   4.808   0.472
    8   HB21  AIB   2          1HB2      AIB   2   0.935   5.739   0.787
    9   HB22  AIB   2          2HB2      AIB   2  -0.159   4.357   1.218
   10   HB23  AIB   2          3HB2      AIB   2   1.505   4.457   1.936
   11    H    ASN   3           HN       ASN   3   0.885   2.662  -2.399
   12    HA   ASN   3           HA       ASN   3   0.767   5.017  -4.003
   13    HB2  ASN   3          2HB       ASN   3   0.223   2.109  -4.442
   14    HB3  ASN   3          3HB       ASN   3  -0.364   3.269  -5.629
   15   HD21  ASN   3          1HD2      ASN   3   2.109   1.277  -4.912
   16   HD22  ASN   3          2HD2      ASN   3   3.385   2.055  -5.779
   17    H    ILE   4           HN       ILE   4  -1.476   3.387  -2.001
   18    HA   ILE   4           HA       ILE   4  -3.842   4.329  -3.352
   19    HB   ILE   4           HB       ILE   4  -3.582   3.174  -0.574
   20   HG12  ILE   4          2HG1      ILE   4  -2.759   1.615  -2.280
   21   HG13  ILE   4          3HG1      ILE   4  -4.280   1.052  -1.596
   22   HG21  ILE   4          1HG2      ILE   4  -5.793   4.286  -2.047
   23   HG22  ILE   4          2HG2      ILE   4  -6.084   2.591  -1.660
   24   HG23  ILE   4          3HG2      ILE   4  -5.721   3.740  -0.372
   25   HD11  ILE   4          1HD1      ILE   4  -5.427   2.051  -3.586
   26   HD12  ILE   4          2HD1      ILE   4  -3.828   2.321  -4.279
   27   HD13  ILE   4          3HD1      ILE   4  -4.372   0.680  -3.929
   28    H    ILE   5           HN       ILE   5  -1.743   5.431  -0.808
   29    HA   ILE   5           HA       ILE   5  -3.504   7.299   0.386
   30    HB   ILE   5           HB       ILE   5  -0.493   7.159   0.316
   31   HG12  ILE   5          2HG1      ILE   5  -1.822   5.402   1.557
   32   HG13  ILE   5          3HG1      ILE   5  -0.674   6.305   2.539
   33   HG21  ILE   5          1HG2      ILE   5  -0.855   8.771   2.362
   34   HG22  ILE   5          2HG2      ILE   5  -0.725   9.399   0.721
   35   HG23  ILE   5          3HG2      ILE   5  -2.310   9.213   1.470
   36   HD11  ILE   5          1HD1      ILE   5  -3.374   7.436   2.461
   37   HD12  ILE   5          2HD1      ILE   5  -3.249   5.845   3.211
   38   HD13  ILE   5          3HD1      ILE   5  -2.280   7.186   3.821
   39    H    AIB   6           HN       AIB   6  -1.514   7.271  -2.482
   40   HB11  AIB   6          1HB1      AIB   6  -1.468   9.137  -5.484
   41   HB12  AIB   6          2HB1      AIB   6   0.051   9.138  -4.491
   42   HB13  AIB   6          3HB1      AIB   6  -1.007   7.664  -4.531
   43   HB21  AIB   6          1HB2      AIB   6  -0.191  10.152  -2.134
   44   HB22  AIB   6          2HB2      AIB   6  -0.667  11.155  -3.568
   45   HB23  AIB   6          3HB2      AIB   6  -1.743  11.089  -2.108
   46    HA   PRO   7           HA       PRO   7  -5.288  10.079  -5.529
   47    HB2  PRO   7          2HB       PRO   7  -6.822   7.839  -5.543
   48    HB3  PRO   7          3HB       PRO   7  -5.525   8.123  -6.711
   49    HG2  PRO   7          2HG       PRO   7  -5.501   6.462  -4.220
   50    HG3  PRO   7          3HG       PRO   7  -4.829   6.091  -5.819
   51    HD2  PRO   7          2HD       PRO   7  -3.298   6.962  -3.762
   52    HD3  PRO   7          3HD       PRO   7  -2.935   7.353  -5.456
   53    H    LEU   8           HN       LEU   8  -5.036   8.624  -2.428
   54    HA   LEU   8           HA       LEU   8  -7.671   8.762  -1.511
   55    HB2  LEU   8          2HB       LEU   8  -5.086   8.308  -0.412
   56    HB3  LEU   8          3HB       LEU   8  -5.926   9.471   0.612
   57    HG   LEU   8           HG       LEU   8  -6.827   6.679  -0.086
   58   HD11  LEU   8          1HD1      LEU   8  -5.681   7.985   2.345
   59   HD12  LEU   8          2HD1      LEU   8  -5.260   6.446   1.594
   60   HD13  LEU   8          3HD1      LEU   8  -6.762   6.601   2.504
   61   HD21  LEU   8          1HD2      LEU   8  -8.901   7.447   0.200
   62   HD22  LEU   8          2HD2      LEU   8  -8.331   9.008   0.790
   63   HD23  LEU   8          3HD2      LEU   8  -8.476   7.644   1.900
   64    H    LEU   9           HN       LEU   9  -5.111  11.209  -1.525
   65    HA   LEU   9           HA       LEU   9  -7.139  13.220  -0.798
   66    HB2  LEU   9          2HB       LEU   9  -4.277  12.910  -0.042
   67    HB3  LEU   9          3HB       LEU   9  -4.937  14.537  -0.193
   68    HG   LEU   9           HG       LEU   9  -6.539  14.106   1.549
   69   HD11  LEU   9          1HD1      LEU   9  -7.169  11.865   1.214
   70   HD12  LEU   9          2HD1      LEU   9  -6.384  11.902   2.792
   71   HD13  LEU   9          3HD1      LEU   9  -5.511  11.287   1.389
   72   HD21  LEU   9          1HD2      LEU   9  -4.843  13.340   3.390
   73   HD22  LEU   9          2HD2      LEU   9  -4.625  14.879   2.557
   74   HD23  LEU   9          3HD2      LEU   9  -3.673  13.474   2.077
   75    H    AIB  10           HN       AIB  10  -6.270  12.032  -3.438
   76   HB11  AIB  10          1HB1      AIB  10  -6.379  13.021  -6.857
   77   HB12  AIB  10          2HB1      AIB  10  -4.913  12.150  -6.238
   78   HB13  AIB  10          3HB1      AIB  10  -6.554  11.753  -5.571
   79   HB21  AIB  10          1HB2      AIB  10  -4.015  14.373  -6.001
   80   HB22  AIB  10          2HB2      AIB  10  -4.233  15.127  -4.366
   81   HB23  AIB  10          3HB2      AIB  10  -3.595  13.434  -4.508
   82    HA   PRO  11           HA       PRO  11  -8.828  16.095  -6.288
   83    HB2  PRO  11          2HB       PRO  11 -11.134  15.392  -5.040
   84    HB3  PRO  11          3HB       PRO  11 -10.544  14.581  -6.496
   85    HG2  PRO  11          2HG       PRO  11 -10.318  13.734  -3.634
   86    HG3  PRO  11          3HG       PRO  11 -10.718  12.760  -5.061
   87    HD2  PRO  11          2HD       PRO  11  -8.247  12.777  -3.954
   88    HD3  PRO  11          3HD       PRO  11  -8.511  12.556  -5.695
   89    H    DCL  12           HN       DCL  12  -8.169  15.203  -2.996
   90    HA   DCL  12           HA       DCL  12  -9.547  17.518  -1.685
   91    HC1  DCL  12          2HB1      DCL  12  -6.538  17.838  -1.490
   92    HC2  DCL  12          3HB1      DCL  12  -7.290  18.319  -3.070
   93    HB1  DCL  12          2HB       DCL  12  -7.416  15.483  -0.826
   94    HB2  DCL  12          3HB       DCL  12  -7.875  16.880   0.237
   95    HG   DCL  12           HG       DCL  12  -9.856  14.828  -0.915
   96   HD11  DCL  12          1HD1      DCL  12 -10.907  16.025   1.416
   97   HD12  DCL  12          2HD1      DCL  12 -10.010  17.394   0.632
   98   HD13  DCL  12          3HD1      DCL  12 -11.306  16.514  -0.285
   99   HD21  DCL  12          1HD2      DCL  12  -8.355  14.957   1.749
  100   HD22  DCL  12          2HD2      DCL  12  -9.979  14.158   1.613
  101   HD23  DCL  12          3HD2      DCL  12  -8.583  13.553   0.623
  102    HO   DCL  12          4H1       DCL  12  -8.037  20.169  -1.974
  Start of MODEL   20
    1    H1   ACE   1          1H1       ACE   1   0.753   0.311   2.188
    2    H2   ACE   1          2H1       ACE   1   0.218   0.454   0.496
    3    H3   ACE   1          3H1       ACE   1   1.903   0.012   0.862
    4    H    AIB   2           HN       AIB   2   0.489   2.215  -0.654
    5   HB11  AIB   2          1HB1      AIB   2   3.199   4.554  -1.094
    6   HB12  AIB   2          2HB1      AIB   2   3.067   5.311   0.550
    7   HB13  AIB   2          3HB1      AIB   2   3.318   3.520   0.393
    8   HB21  AIB   2          1HB2      AIB   2   0.661   6.066   0.819
    9   HB22  AIB   2          2HB2      AIB   2  -0.364   4.627   1.230
   10   HB23  AIB   2          3HB2      AIB   2   1.268   4.828   1.998
   11    H    ASN   3           HN       ASN   3   0.890   2.938  -2.322
   12    HA   ASN   3           HA       ASN   3   0.596   5.268  -3.952
   13    HB2  ASN   3          2HB       ASN   3   0.268   2.316  -4.422
   14    HB3  ASN   3          3HB       ASN   3  -0.212   3.482  -5.652
   15   HD21  ASN   3          1HD2      ASN   3   1.291   3.255  -7.172
   16   HD22  ASN   3          2HD2      ASN   3   2.993   3.408  -6.921
   17    H    ILE   4           HN       ILE   4  -1.517   3.429  -1.998
   18    HA   ILE   4           HA       ILE   4  -3.924   4.155  -3.433
   19    HB   ILE   4           HB       ILE   4  -3.730   2.953  -0.674
   20   HG12  ILE   4          2HG1      ILE   4  -3.883   1.552  -3.352
   21   HG13  ILE   4          3HG1      ILE   4  -2.490   1.566  -2.277
   22   HG21  ILE   4          1HG2      ILE   4  -5.948   2.993  -0.698
   23   HG22  ILE   4          2HG2      ILE   4  -5.899   3.855  -2.235
   24   HG23  ILE   4          3HG2      ILE   4  -5.972   2.093  -2.214
   25   HD11  ILE   4          1HD1      ILE   4  -3.272  -0.290  -1.370
   26   HD12  ILE   4          2HD1      ILE   4  -4.618   0.649  -0.725
   27   HD13  ILE   4          3HD1      ILE   4  -4.775  -0.163  -2.282
   28    H    ILE   5           HN       ILE   5  -2.041   5.329  -0.755
   29    HA   ILE   5           HA       ILE   5  -4.076   7.013   0.344
   30    HB   ILE   5           HB       ILE   5  -1.080   7.007   0.706
   31   HG12  ILE   5          2HG1      ILE   5  -3.345   6.112   2.503
   32   HG13  ILE   5          3HG1      ILE   5  -2.259   5.051   1.613
   33   HG21  ILE   5          1HG2      ILE   5  -1.846   9.250   1.085
   34   HG22  ILE   5          2HG2      ILE   5  -3.181   8.672   2.081
   35   HG23  ILE   5          3HG2      ILE   5  -1.520   8.497   2.646
   36   HD11  ILE   5          1HD1      ILE   5  -1.873   6.434   4.148
   37   HD12  ILE   5          2HD1      ILE   5  -1.088   4.991   3.505
   38   HD13  ILE   5          3HD1      ILE   5  -0.514   6.591   3.035
   39    H    AIB   6           HN       AIB   6  -1.731   7.201  -2.223
   40   HB11  AIB   6          1HB1      AIB   6  -1.509   9.087  -5.110
   41   HB12  AIB   6          2HB1      AIB   6  -0.047   9.319  -4.061
   42   HB13  AIB   6          3HB1      AIB   6  -0.902   7.718  -4.086
   43   HB21  AIB   6          1HB2      AIB   6  -0.461  10.031  -1.583
   44   HB22  AIB   6          2HB2      AIB   6  -0.799  11.132  -2.984
   45   HB23  AIB   6          3HB2      AIB   6  -2.007  10.977  -1.639
   46    HA   PRO   7           HA       PRO   7  -5.206  10.223  -5.453
   47    HB2  PRO   7          2HB       PRO   7  -6.745   8.006  -5.749
   48    HB3  PRO   7          3HB       PRO   7  -5.339   8.343  -6.767
   49    HG2  PRO   7          2HG       PRO   7  -5.567   6.539  -4.389
   50    HG3  PRO   7          3HG       PRO   7  -4.746   6.254  -5.935
   51    HD2  PRO   7          2HD       PRO   7  -3.416   6.984  -3.692
   52    HD3  PRO   7          3HD       PRO   7  -2.888   7.470  -5.316
   53    H    LEU   8           HN       LEU   8  -5.260   8.595  -2.432
   54    HA   LEU   8           HA       LEU   8  -7.969   8.702  -1.764
   55    HB2  LEU   8          2HB       LEU   8  -5.503   8.170  -0.450
   56    HB3  LEU   8          3HB       LEU   8  -6.434   9.282   0.551
   57    HG   LEU   8           HG       LEU   8  -7.270   6.539  -0.382
   58   HD11  LEU   8          1HD1      LEU   8  -7.377   6.154   2.097
   59   HD12  LEU   8          2HD1      LEU   8  -6.550   7.697   2.300
   60   HD13  LEU   8          3HD1      LEU   8  -5.756   6.379   1.439
   61   HD21  LEU   8          1HD2      LEU   8  -9.266   7.737  -0.429
   62   HD22  LEU   8          2HD2      LEU   8  -8.806   8.748   0.941
   63   HD23  LEU   8          3HD2      LEU   8  -9.235   7.056   1.197
   64    H    LEU   9           HN       LEU   9  -5.416  11.128  -1.394
   65    HA   LEU   9           HA       LEU   9  -7.501  13.111  -0.759
   66    HB2  LEU   9          2HB       LEU   9  -5.877  14.357   0.488
   67    HB3  LEU   9          3HB       LEU   9  -5.910  12.696   1.078
   68    HG   LEU   9           HG       LEU   9  -3.872  13.153  -0.962
   69   HD11  LEU   9          1HD1      LEU   9  -2.372  14.396   0.568
   70   HD12  LEU   9          2HD1      LEU   9  -3.750  14.686   1.629
   71   HD13  LEU   9          3HD1      LEU   9  -3.739  15.351  -0.004
   72   HD21  LEU   9          1HD2      LEU   9  -4.322  11.251   0.828
   73   HD22  LEU   9          2HD2      LEU   9  -3.295  12.288   1.819
   74   HD23  LEU   9          3HD2      LEU   9  -2.693  11.656   0.286
   75    H    AIB  10           HN       AIB  10  -6.383  12.065  -3.363
   76   HB11  AIB  10          1HB1      AIB  10  -6.451  11.902  -5.522
   77   HB12  AIB  10          2HB1      AIB  10  -6.164  13.241  -6.712
   78   HB13  AIB  10          3HB1      AIB  10  -4.758  12.331  -6.013
   79   HB21  AIB  10          1HB2      AIB  10  -3.869  14.494  -5.563
   80   HB22  AIB  10          2HB2      AIB  10  -4.256  15.202  -3.938
   81   HB23  AIB  10          3HB2      AIB  10  -3.617  13.508  -4.062
   82    HA   PRO  11           HA       PRO  11  -8.635  16.305  -6.213
   83    HB2  PRO  11          2HB       PRO  11 -11.053  15.559  -5.230
   84    HB3  PRO  11          3HB       PRO  11 -10.331  14.823  -6.666
   85    HG2  PRO  11          2HG       PRO  11 -10.385  13.818  -3.847
   86    HG3  PRO  11          3HG       PRO  11 -10.651  12.928  -5.357
   87    HD2  PRO  11          2HD       PRO  11  -8.297  12.859  -4.020
   88    HD3  PRO  11          3HD       PRO  11  -8.395  12.736  -5.789
   89    H    DCL  12           HN       DCL  12  -8.131  15.301  -2.962
   90    HA   DCL  12           HA       DCL  12  -9.706  17.430  -1.578
   91    HC1  DCL  12          2HB1      DCL  12  -6.781  18.054  -1.231
   92    HC2  DCL  12          3HB1      DCL  12  -7.436  18.437  -2.879
   93    HB1  DCL  12          2HB       DCL  12  -7.447  15.517  -0.793
   94    HB2  DCL  12          3HB       DCL  12  -7.952  16.855   0.324
   95    HG   DCL  12           HG       DCL  12  -9.862  14.760  -0.871
   96   HD11  DCL  12          1HD1      DCL  12 -10.049  17.150   1.021
   97   HD12  DCL  12          2HD1      DCL  12 -11.233  16.563  -0.223
   98   HD13  DCL  12          3HD1      DCL  12 -11.091  15.706   1.371
   99   HD21  DCL  12          1HD2      DCL  12  -9.397  14.674   2.057
  100   HD22  DCL  12          2HD2      DCL  12  -9.417  13.334   0.832
  101   HD23  DCL  12          3HD2      DCL  12  -7.903  14.302   1.097
  102    HO   DCL  12          4H1       DCL  12  -8.457  20.214  -1.891