*HEADER    ANTIBIOTIC                              17-NOV-16   5MF8              
*TITLE     NMR SOLUTION STRUCTURE OF HARZIANIN HK-VI IN TRIFLUOROETHANOL         
*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 5MF8    1
*REVDAT   1   13-JUN-18 5MF8    0                                                
# Restraints file 1: 1_HarzTFE25H_mod.upl
  3 ASN  HN      3 ASN  HB3     3.67            #peak     7
  3 ASN  HN      3 ASN  HB2     3.67            #peak    10
 12 DCL  HN     12 DCL  HB13    4.11            #peak    19
 12 DCL  HN     12 DCL  HB12    4.11            #peak    20
 12 DCL  HN     12 DCL  HB3     4.07            #peak    21
 12 DCL  HN     12 DCL  HB2     4.07            #peak    22
  3 ASN  HB3     4 ILE  HN      3.95            #peak    37
  3 ASN  HB2     4 ILE  HN      3.95            #peak    38
  4 ILE  HN      4 ILE  HB      3.05            #peak    39
  8 LEU  HN      8 LEU  HB3     3.61            #peak    75
  8 LEU  HN      8 LEU  HB2     3.61            #peak    77
  8 LEU  HA      8 LEU  HB3     2.96            #peak    89
  8 LEU  HA      8 LEU  HB2     2.96            #peak    81
  9 LEU  HA      9 LEU  HB3     2.96            #peak    98
  9 LEU  HA      9 LEU  HB2     2.96            #peak   105
  4 ILE  HN      6 AIB  HN      4.14            #peak   205
  5 ILE  HN      6 AIB  HN      2.80            #peak   204
  5 ILE  HB      6 AIB  HN      3.52            #peak   178
  8 LEU  HN      9 LEU  HN      2.83            #peak   207
  9 LEU  HA     12 DCL  HN      3.95            #peak   188
  4 ILE  HB      5 ILE  HN      3.27            #peak   200
  5 ILE  HA      9 LEU  HN      4.07            #peak   203
  4 ILE  HN      5 ILE  HN      2.77            #peak   206
  2 AIB  HN      3 ASN  HN      3.52            #peak   208
  9 LEU  HN     10 AIB  HN      2.80            #peak   209
  5 ILE  HN      5 ILE  HB      3.14            #peak   261
  4 ILE  HN      4 ILE  HG13    3.83            #peak    40
  4 ILE  HN      4 ILE  HG12    3.83            #peak    41
  8 LEU  HN      8 LEU  HG      3.33            #peak    76
  8 LEU  HA      8 LEU  HG      3.21            #peak    90
  6 AIB  HN      7 PRO  HD3     4.51            #peak   176
  6 AIB  HN      7 PRO  HD2     4.51            #peak   177
 10 AIB  HN     11 PRO  HD2     4.26            #peak   194
 10 AIB  HN     11 PRO  HD3     4.26            #peak   195
  1 ACE  Q1      3 ASN  HN      6.53            #peak    34
  4 ILE  HN      4 ILE  QG2     5.22            #peak    42
  4 ILE  HA      4 ILE  QD1     4.88            #peak    47
  5 ILE  HN      5 ILE  QG2     5.22            #peak    59
  5 ILE  HA      5 ILE  QD1     5.56            #peak    61
  8 LEU  HN      8 LEU  QD2     6.52            #peak    78
  8 LEU  HN      8 LEU  QD1     6.52            #peak    79
  9 LEU  HA      9 LEU  QD2     4.94            #peak   100
  9 LEU  HA      9 LEU  QD1     4.94            #peak   104
  5 ILE  QG2     6 AIB  HN      6.24            #peak   181
  2 AIB  QB2     3 ASN  HN      5.37            #peak   182
  1 ACE  Q1      4 ILE  HN      6.53            #peak   185
  2 AIB  QB2     4 ILE  HN      6.55            #peak   186
 10 AIB  QB1    12 DCL  HN      6.30            #peak   191
  6 AIB  QB2    10 AIB  HN      5.71            #peak   193
  5 ILE  HN      6 AIB  QB2     5.40            #peak   201
  2 AIB  QB2     5 ILE  HN      4.41            #peak   202
  6 AIB  QB1     7 PRO  HA      4.59            #peak   211
  6 AIB  QB2     9 LEU  HN      4.72            #peak   263
  2 AIB  QB1     3 ASN  HN      5.56            #peak   277
  3 ASN  HN      3 ASN  QB      3.20            #peak     7
  3 ASN  QB      3 ASN  QD2     3.16            #peak    14
  3 ASN  QB      4 ILE  HN      3.46            #peak    37
  4 ILE  HA      4 ILE  QG1     2.38            #peak    44
  5 ILE  HN      5 ILE  QG1     3.60            #peak    58
  5 ILE  HN      7 PRO  QD      4.61            #peak   199
  5 ILE  HA      7 PRO  QD      4.61            #peak   112
  5 ILE  HB      5 ILE  QG1     2.31            #peak    66
  5 ILE  QG1     6 AIB  HN      4.60            #peak   179
  6 AIB  HN      7 PRO  QD      3.75            #peak   176
  7 PRO  QD      8 LEU  HN      3.76            #peak   107
  8 LEU  HN      8 LEU  QB      2.85            #peak    75
  8 LEU  HN      8 LEU  QQD     5.72            #peak    78
  8 LEU  HA      8 LEU  QB      2.30            #peak    89
  8 LEU  HA      8 LEU  QQD     4.35            #peak    80
  8 LEU  QB      9 LEU  HN      3.38            #peak    95
  9 LEU  HN      9 LEU  QB      2.90            #peak    96
  9 LEU  HN      9 LEU  QQD     5.47            #peak    94
  9 LEU  HA      9 LEU  QB      2.30            #peak    98
  9 LEU  HA      9 LEU  QQD     4.26            #peak   104
  9 LEU  HA     11 PRO  QD      4.33            #peak   210
  9 LEU  HA     12 DCL  QB      4.07            #peak   279
  9 LEU  QB     10 AIB  HN      3.85            #peak   192
 10 AIB  HN     11 PRO  QD      3.54            #peak   195
 10 AIB  QB2    11 PRO  QD      4.01            #peak   213
 11 PRO  QB     12 DCL  HN      3.67            #peak   189
 11 PRO  QG     12 DCL  HN      4.14            #peak   190
 11 PRO  QD     12 DCL  HN      4.10            #peak   141
 12 DCL  HN     12 DCL  QB      3.17            #peak    21
 12 DCL  HN     12 DCL  QB1     3.48            #peak    20
 12 DCL  QB     12 DCL  QB1     3.12            #peak    31
# Restraints file 2: 1_HarzTFE25H.aco
   2   AIB  PHI    -180.0     0.0
   3   ASN  PHI     -79.3   -39.3
   3   ASN  PSI     -59.9   -19.9
   4   ILE  PHI    -102.5   -45.8
   4   ILE  PSI     -60.1   -16.7
   5   ILE  PHI     -85.0   -44.2
   5   ILE  PSI     -63.8   -23.8
   6   AIB  PHI    -136.4     3.6
   7   PRO  PSI     -55.2   -13.4
   8   LEU  PHI     -96.0   -40.6
   8   LEU  PSI     -57.4    -9.4
   9   LEU  PHI    -110.8   -70.8
   9   LEU  PSI     -50.6    19.9
  10   AIB  PHI    -152.9   -43.6
  11   PRO  PSI     -59.2     2.3
  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   1.449   1.771   1.477
    5   HB11  AIB   2          1HB1      AIB   2   2.999   4.356   1.723
    6   HB12  AIB   2          2HB1      AIB   2   1.666   5.175   2.642
    7   HB13  AIB   2          3HB1      AIB   2   1.983   3.404   2.886
    8   HB21  AIB   2          1HB2      AIB   2  -0.926   4.694   0.399
    9   HB22  AIB   2          2HB2      AIB   2  -0.946   3.804   1.980
   10   HB23  AIB   2          3HB2      AIB   2  -0.229   5.469   1.883
   11    H    ASN   3           HN       ASN   3   1.961   2.725  -1.100
   12    HA   ASN   3           HA       ASN   3   3.050   5.118  -2.271
   13    HB2  ASN   3          2HB       ASN   3   2.982   2.219  -3.047
   14    HB3  ASN   3          3HB       ASN   3   3.470   3.436  -4.223
   15   HD21  ASN   3          1HD2      ASN   3   4.436   1.500  -1.641
   16   HD22  ASN   3          2HD2      ASN   3   6.011   2.168  -1.404
   17    H    ILE   4           HN       ILE   4   0.077   3.439  -2.407
   18    HA   ILE   4           HA       ILE   4  -0.677   4.512  -5.001
   19    HB   ILE   4           HB       ILE   4  -2.300   2.918  -3.013
   20   HG12  ILE   4          2HG1      ILE   4  -0.932   2.071  -5.577
   21   HG13  ILE   4          3HG1      ILE   4  -0.393   1.671  -3.949
   22   HG21  ILE   4          1HG2      ILE   4  -3.082   4.411  -5.314
   23   HG22  ILE   4          2HG2      ILE   4  -3.306   2.693  -5.641
   24   HG23  ILE   4          3HG2      ILE   4  -4.078   3.431  -4.237
   25   HD11  ILE   4          1HD1      ILE   4  -1.526  -0.222  -4.316
   26   HD12  ILE   4          2HD1      ILE   4  -2.932   0.752  -3.882
   27   HD13  ILE   4          3HD1      ILE   4  -2.525   0.496  -5.579
   28    H    ILE   5           HN       ILE   5  -1.313   5.072  -1.593
   29    HA   ILE   5           HA       ILE   5  -3.444   6.924  -1.990
   30    HB   ILE   5           HB       ILE   5  -1.637   6.561   0.403
   31   HG12  ILE   5          2HG1      ILE   5  -2.909   4.537  -0.179
   32   HG13  ILE   5          3HG1      ILE   5  -3.483   5.242   1.328
   33   HG21  ILE   5          1HG2      ILE   5  -2.563   8.471   1.096
   34   HG22  ILE   5          2HG2      ILE   5  -3.774   8.449  -0.185
   35   HG23  ILE   5          3HG2      ILE   5  -4.044   7.536   1.299
   36   HD11  ILE   5          1HD1      ILE   5  -4.918   4.686  -1.088
   37   HD12  ILE   5          2HD1      ILE   5  -5.527   5.176   0.494
   38   HD13  ILE   5          3HD1      ILE   5  -5.039   6.398  -0.681
   39    H    AIB   6           HN       AIB   6   0.072   7.097  -1.694
   40   HB11  AIB   6          1HB1      AIB   6   2.580   9.044  -1.436
   41   HB12  AIB   6          2HB1      AIB   6   1.982   7.688  -2.482
   42   HB13  AIB   6          3HB1      AIB   6   2.370   9.300  -3.219
   43   HB21  AIB   6          1HB2      AIB   6  -0.497  10.708  -0.851
   44   HB22  AIB   6          2HB2      AIB   6   0.583   9.568   0.058
   45   HB23  AIB   6          3HB2      AIB   6   1.304  10.906  -0.934
   46    HA   PRO   7           HA       PRO   7   0.067  10.975  -5.889
   47    HB2  PRO   7          2HB       PRO   7  -0.900   9.097  -7.596
   48    HB3  PRO   7          3HB       PRO   7   0.823   9.285  -7.249
   49    HG2  PRO   7          2HG       PRO   7  -1.133   7.321  -6.119
   50    HG3  PRO   7          3HG       PRO   7   0.532   7.053  -6.665
   51    HD2  PRO   7          2HD       PRO   7  -0.120   7.317  -4.050
   52    HD3  PRO   7          3HD       PRO   7   1.438   7.862  -4.705
   53    H    LEU   8           HN       LEU   8  -2.333   8.577  -4.838
   54    HA   LEU   8           HA       LEU   8  -4.558   9.787  -6.082
   55    HB2  LEU   8          2HB       LEU   8  -4.323   7.934  -3.724
   56    HB3  LEU   8          3HB       LEU   8  -5.871   8.464  -4.378
   57    HG   LEU   8           HG       LEU   8  -3.796   6.913  -5.924
   58   HD11  LEU   8          1HD1      LEU   8  -6.371   5.941  -4.695
   59   HD12  LEU   8          2HD1      LEU   8  -4.758   5.616  -4.060
   60   HD13  LEU   8          3HD1      LEU   8  -5.225   4.990  -5.641
   61   HD21  LEU   8          1HD2      LEU   8  -6.658   7.628  -6.553
   62   HD22  LEU   8          2HD2      LEU   8  -5.619   6.589  -7.528
   63   HD23  LEU   8          3HD2      LEU   8  -5.222   8.296  -7.328
   64    H    LEU   9           HN       LEU   9  -2.715  10.717  -3.396
   65    HA   LEU   9           HA       LEU   9  -4.735  12.004  -1.861
   66    HB2  LEU   9          2HB       LEU   9  -2.588  11.363  -0.906
   67    HB3  LEU   9          3HB       LEU   9  -1.761  12.487  -1.983
   68    HG   LEU   9           HG       LEU   9  -3.216  14.287  -0.796
   69   HD11  LEU   9          1HD1      LEU   9  -3.602  13.665   1.601
   70   HD12  LEU   9          2HD1      LEU   9  -3.346  11.983   1.137
   71   HD13  LEU   9          3HD1      LEU   9  -4.688  12.893   0.445
   72   HD21  LEU   9          1HD2      LEU   9  -1.492  14.333   1.090
   73   HD22  LEU   9          2HD2      LEU   9  -0.888  14.399  -0.566
   74   HD23  LEU   9          3HD2      LEU   9  -0.815  12.887   0.341
   75    H    AIB  10           HN       AIB  10  -2.499  12.976  -4.444
   76   HB11  AIB  10          1HB1      AIB  10  -2.016  13.787  -6.342
   77   HB12  AIB  10          2HB1      AIB  10  -2.971  15.091  -7.167
   78   HB13  AIB  10          3HB1      AIB  10  -1.493  15.518  -6.204
   79   HB21  AIB  10          1HB2      AIB  10  -2.449  17.019  -4.857
   80   HB22  AIB  10          2HB2      AIB  10  -3.481  16.493  -3.460
   81   HB23  AIB  10          3HB2      AIB  10  -1.791  15.853  -3.633
   82    HA   PRO  11           HA       PRO  11  -6.826  15.552  -7.121
   83    HB2  PRO  11          2HB       PRO  11  -7.997  13.133  -7.502
   84    HB3  PRO  11          3HB       PRO  11  -6.766  13.786  -8.589
   85    HG2  PRO  11          2HG       PRO  11  -6.473  11.788  -6.379
   86    HG3  PRO  11          3HG       PRO  11  -5.761  11.772  -8.003
   87    HD2  PRO  11          2HD       PRO  11  -4.371  12.543  -5.811
   88    HD3  PRO  11          3HD       PRO  11  -4.082  13.239  -7.418
   89    H    DCL  12           HN       DCL  12  -6.645  12.961  -4.677
   90    HA   DCL  12           HA       DCL  12  -9.350  13.838  -3.518
   91    HC1  DCL  12          2HB1      DCL  12  -6.916  13.429  -1.673
   92    HC2  DCL  12          3HB1      DCL  12  -7.270  15.052  -2.403
   93    HB1  DCL  12          2HB       DCL  12  -8.000  11.309  -3.827
   94    HB2  DCL  12          3HB       DCL  12  -8.067  11.660  -2.048
   95    HG   DCL  12           HG       DCL  12 -10.056  10.395  -2.739
   96   HD11  DCL  12          1HD1      DCL  12 -11.419  10.977  -4.573
   97   HD12  DCL  12          2HD1      DCL  12 -11.041  12.746  -4.422
   98   HD13  DCL  12          3HD1      DCL  12  -9.828  11.618  -5.166
   99   HD21  DCL  12          1HD2      DCL  12 -10.924  13.314  -2.329
  100   HD22  DCL  12          2HD2      DCL  12 -11.779  11.799  -1.810
  101   HD23  DCL  12          3HD2      DCL  12 -10.224  12.286  -1.009
  102    HO   DCL  12          4H1       DCL  12  -8.882  15.245  -0.808
  Start of MODEL    2
    1    H1   ACE   1          1H1       ACE   1   0.687   0.033  -0.159
    2    H2   ACE   1          2H1       ACE   1  -0.303   0.119   1.318
    3    H3   ACE   1          3H1       ACE   1  -1.088   0.079  -0.279
    4    H    AIB   2           HN       AIB   2   1.271   1.861   1.696
    5   HB11  AIB   2          1HB1      AIB   2   2.750   3.650   2.202
    6   HB12  AIB   2          2HB1      AIB   2   2.212   5.382   2.145
    7   HB13  AIB   2          3HB1      AIB   2   1.382   4.209   3.254
    8   HB21  AIB   2          1HB2      AIB   2  -0.299   5.625   1.953
    9   HB22  AIB   2          2HB2      AIB   2  -1.029   4.796   0.514
   10   HB23  AIB   2          3HB2      AIB   2  -1.055   3.987   2.139
   11    H    ASN   3           HN       ASN   3   1.800   2.699  -0.918
   12    HA   ASN   3           HA       ASN   3   2.950   5.014  -2.185
   13    HB2  ASN   3          2HB       ASN   3   3.181   2.155  -2.424
   14    HB3  ASN   3          3HB       ASN   3   2.897   2.862  -4.012
   15   HD21  ASN   3          1HD2      ASN   3   4.570   3.686  -5.055
   16   HD22  ASN   3          2HD2      ASN   3   6.113   4.041  -4.363
   17    H    ILE   4           HN       ILE   4  -0.069   3.415  -2.244
   18    HA   ILE   4           HA       ILE   4  -0.801   4.427  -4.873
   19    HB   ILE   4           HB       ILE   4  -2.449   2.899  -2.855
   20   HG12  ILE   4          2HG1      ILE   4  -1.071   1.986  -5.390
   21   HG13  ILE   4          3HG1      ILE   4  -0.570   1.593  -3.749
   22   HG21  ILE   4          1HG2      ILE   4  -4.223   3.367  -4.100
   23   HG22  ILE   4          2HG2      ILE   4  -3.227   4.372  -5.151
   24   HG23  ILE   4          3HG2      ILE   4  -3.430   2.657  -5.506
   25   HD11  ILE   4          1HD1      ILE   4  -3.261   0.830  -3.957
   26   HD12  ILE   4          2HD1      ILE   4  -2.460   0.271  -5.426
   27   HD13  ILE   4          3HD1      ILE   4  -1.840  -0.208  -3.846
   28    H    ILE   5           HN       ILE   5  -1.509   5.020  -1.474
   29    HA   ILE   5           HA       ILE   5  -3.569   6.932  -1.947
   30    HB   ILE   5           HB       ILE   5  -1.861   6.611   0.523
   31   HG12  ILE   5          2HG1      ILE   5  -2.956   4.503  -0.057
   32   HG13  ILE   5          3HG1      ILE   5  -3.704   5.209   1.372
   33   HG21  ILE   5          1HG2      ILE   5  -4.118   7.498   1.513
   34   HG22  ILE   5          2HG2      ILE   5  -2.929   8.616   0.848
   35   HG23  ILE   5          3HG2      ILE   5  -4.333   8.149  -0.111
   36   HD11  ILE   5          1HD1      ILE   5  -5.205   6.216  -0.707
   37   HD12  ILE   5          2HD1      ILE   5  -4.859   4.557  -1.198
   38   HD13  ILE   5          3HD1      ILE   5  -5.641   4.873   0.350
   39    H    AIB   6           HN       AIB   6  -0.063   7.005  -1.523
   40   HB11  AIB   6          1HB1      AIB   6   2.416   9.285  -2.823
   41   HB12  AIB   6          2HB1      AIB   6   2.431   8.684  -1.111
   42   HB13  AIB   6          3HB1      AIB   6   1.879   7.592  -2.452
   43   HB21  AIB   6          1HB2      AIB   6  -0.657  10.345  -0.481
   44   HB22  AIB   6          2HB2      AIB   6   0.814   9.537   0.208
   45   HB23  AIB   6          3HB2      AIB   6   0.995  10.979  -0.880
   46    HA   PRO   7           HA       PRO   7   0.189  10.889  -5.706
   47    HB2  PRO   7          2HB       PRO   7  -0.771   9.044  -7.451
   48    HB3  PRO   7          3HB       PRO   7   0.943   9.181  -7.045
   49    HG2  PRO   7          2HG       PRO   7  -1.107   7.272  -5.989
   50    HG3  PRO   7          3HG       PRO   7   0.569   6.957  -6.477
   51    HD2  PRO   7          2HD       PRO   7  -0.166   7.234  -3.886
   52    HD3  PRO   7          3HD       PRO   7   1.428   7.736  -4.485
   53    H    LEU   8           HN       LEU   8  -2.314   8.559  -4.745
   54    HA   LEU   8           HA       LEU   8  -4.459   9.833  -6.063
   55    HB2  LEU   8          2HB       LEU   8  -4.365   7.980  -3.695
   56    HB3  LEU   8          3HB       LEU   8  -5.870   8.545  -4.417
   57    HG   LEU   8           HG       LEU   8  -3.771   6.953  -5.886
   58   HD11  LEU   8          1HD1      LEU   8  -4.800   5.681  -4.033
   59   HD12  LEU   8          2HD1      LEU   8  -5.211   5.041  -5.624
   60   HD13  LEU   8          3HD1      LEU   8  -6.388   6.003  -4.731
   61   HD21  LEU   8          1HD2      LEU   8  -5.727   6.582  -7.441
   62   HD22  LEU   8          2HD2      LEU   8  -5.043   8.208  -7.434
   63   HD23  LEU   8          3HD2      LEU   8  -6.549   7.880  -6.575
   64    H    LEU   9           HN       LEU   9  -2.685  10.708  -3.312
   65    HA   LEU   9           HA       LEU   9  -4.719  12.051  -1.847
   66    HB2  LEU   9          2HB       LEU   9  -2.627  11.349  -0.817
   67    HB3  LEU   9          3HB       LEU   9  -1.730  12.448  -1.863
   68    HG   LEU   9           HG       LEU   9  -3.788  13.757  -0.239
   69   HD11  LEU   9          1HD1      LEU   9  -3.123  12.061   1.364
   70   HD12  LEU   9          2HD1      LEU   9  -2.494  13.638   1.839
   71   HD13  LEU   9          3HD1      LEU   9  -1.424  12.448   1.098
   72   HD21  LEU   9          1HD2      LEU   9  -0.994  14.205  -1.145
   73   HD22  LEU   9          2HD2      LEU   9  -1.550  15.063   0.293
   74   HD23  LEU   9          3HD2      LEU   9  -2.400  15.266  -1.240
   75    H    AIB  10           HN       AIB  10  -2.367  12.960  -4.348
   76   HB11  AIB  10          1HB1      AIB  10  -2.708  15.009  -7.088
   77   HB12  AIB  10          2HB1      AIB  10  -1.272  15.533  -6.111
   78   HB13  AIB  10          3HB1      AIB  10  -1.730  13.778  -6.182
   79   HB21  AIB  10          1HB2      AIB  10  -3.212  16.392  -3.283
   80   HB22  AIB  10          2HB2      AIB  10  -1.512  15.870  -3.640
   81   HB23  AIB  10          3HB2      AIB  10  -2.346  17.057  -4.731
   82    HA   PRO  11           HA       PRO  11  -6.522  15.665  -7.168
   83    HB2  PRO  11          2HB       PRO  11  -7.750  13.281  -7.593
   84    HB3  PRO  11          3HB       PRO  11  -6.463  13.899  -8.637
   85    HG2  PRO  11          2HG       PRO  11  -6.305  11.891  -6.422
   86    HG3  PRO  11          3HG       PRO  11  -5.539  11.856  -8.020
   87    HD2  PRO  11          2HD       PRO  11  -4.203  12.583  -5.780
   88    HD3  PRO  11          3HD       PRO  11  -3.838  13.272  -7.375
   89    H    DCL  12           HN       DCL  12  -6.546  13.020  -4.767
   90    HA   DCL  12           HA       DCL  12  -9.140  14.196  -3.572
   91    HC1  DCL  12          2HB1      DCL  12  -6.656  13.161  -2.025
   92    HC2  DCL  12          3HB1      DCL  12  -7.167  14.896  -2.175
   93    HB1  DCL  12          2HB       DCL  12  -8.343  11.496  -4.255
   94    HB2  DCL  12          3HB       DCL  12  -8.439  11.602  -2.446
   95    HG   DCL  12           HG       DCL  12 -10.690  12.943  -3.878
   96   HD11  DCL  12          1HD1      DCL  12 -11.861  12.194  -1.978
   97   HD12  DCL  12          2HD1      DCL  12 -10.960  10.619  -1.919
   98   HD13  DCL  12          3HD1      DCL  12 -10.171  12.140  -1.317
   99   HD21  DCL  12          1HD2      DCL  12 -10.031  10.015  -4.356
  100   HD22  DCL  12          2HD2      DCL  12 -11.762  10.493  -4.091
  101   HD23  DCL  12          3HD2      DCL  12 -10.812  11.233  -5.450
  102    HO   DCL  12          4H1       DCL  12  -8.588  14.465  -0.451
  Start of MODEL    3
    1    H1   ACE   1          1H1       ACE   1  -0.729  -0.169   0.853
    2    H2   ACE   1          2H1       ACE   1  -1.271  -0.114  -0.841
    3    H3   ACE   1          3H1       ACE   1   0.468  -0.117  -0.463
    4    H    AIB   2           HN       AIB   2   0.750   1.588   1.542
    5   HB11  AIB   2          1HB1      AIB   2   2.255   4.078   2.070
    6   HB12  AIB   2          2HB1      AIB   2   0.866   4.997   2.790
    7   HB13  AIB   2          3HB1      AIB   2   1.033   3.216   3.097
    8   HB21  AIB   2          1HB2      AIB   2  -1.692   3.612   1.857
    9   HB22  AIB   2          2HB2      AIB   2  -0.985   5.283   1.847
   10   HB23  AIB   2          3HB2      AIB   2  -1.513   4.511   0.292
   11    H    ASN   3           HN       ASN   3   1.562   2.630  -0.916
   12    HA   ASN   3           HA       ASN   3   2.754   5.071  -1.874
   13    HB2  ASN   3          2HB       ASN   3   3.102   2.227  -2.312
   14    HB3  ASN   3          3HB       ASN   3   3.073   3.102  -3.841
   15   HD21  ASN   3          1HD2      ASN   3   4.904   3.967  -4.499
   16   HD22  ASN   3          2HD2      ASN   3   6.288   4.284  -3.514
   17    H    ILE   4           HN       ILE   4  -0.147   3.345  -2.433
   18    HA   ILE   4           HA       ILE   4  -0.597   4.490  -5.064
   19    HB   ILE   4           HB       ILE   4  -2.531   2.906  -3.374
   20   HG12  ILE   4          2HG1      ILE   4  -1.739   1.132  -5.213
   21   HG13  ILE   4          3HG1      ILE   4  -0.257   2.075  -5.105
   22   HG21  ILE   4          1HG2      ILE   4  -3.980   3.335  -4.997
   23   HG22  ILE   4          2HG2      ILE   4  -2.761   4.258  -5.874
   24   HG23  ILE   4          3HG2      ILE   4  -2.914   2.522  -6.143
   25   HD11  ILE   4          1HD1      ILE   4  -0.555  -0.002  -3.607
   26   HD12  ILE   4          2HD1      ILE   4   0.114   1.473  -2.908
   27   HD13  ILE   4          3HD1      ILE   4  -1.576   1.053  -2.630
   28    H    ILE   5           HN       ILE   5  -1.657   4.943  -1.747
   29    HA   ILE   5           HA       ILE   5  -3.753   6.776  -2.350
   30    HB   ILE   5           HB       ILE   5  -2.237   6.372   0.231
   31   HG12  ILE   5          2HG1      ILE   5  -4.884   5.259  -0.725
   32   HG13  ILE   5          3HG1      ILE   5  -3.391   4.348  -0.525
   33   HG21  ILE   5          1HG2      ILE   5  -4.158   7.470   1.292
   34   HG22  ILE   5          2HG2      ILE   5  -3.323   8.543   0.172
   35   HG23  ILE   5          3HG2      ILE   5  -4.845   7.789  -0.300
   36   HD11  ILE   5          1HD1      ILE   5  -4.650   3.843   1.365
   37   HD12  ILE   5          2HD1      ILE   5  -3.503   5.062   1.923
   38   HD13  ILE   5          3HD1      ILE   5  -5.173   5.513   1.577
   39    H    AIB   6           HN       AIB   6  -0.300   6.992  -1.640
   40   HB11  AIB   6          1HB1      AIB   6   2.111   8.903  -1.021
   41   HB12  AIB   6          2HB1      AIB   6   1.677   7.644  -2.253
   42   HB13  AIB   6          3HB1      AIB   6   2.136   9.317  -2.787
   43   HB21  AIB   6          1HB2      AIB   6   0.353  11.059  -0.902
   44   HB22  AIB   6          2HB2      AIB   6  -1.131  10.114  -0.460
   45   HB23  AIB   6          3HB2      AIB   6   0.492   9.605   0.174
   46    HA   PRO   7           HA       PRO   7   0.111  10.990  -5.701
   47    HB2  PRO   7          2HB       PRO   7  -0.615   9.149  -7.560
   48    HB3  PRO   7          3HB       PRO   7   1.052   9.353  -7.010
   49    HG2  PRO   7          2HG       PRO   7  -0.985   7.326  -6.170
   50    HG3  PRO   7          3HG       PRO   7   0.738   7.100  -6.525
   51    HD2  PRO   7          2HD       PRO   7  -0.218   7.277  -3.998
   52    HD3  PRO   7          3HD       PRO   7   1.394   7.865  -4.452
   53    H    LEU   8           HN       LEU   8  -2.349   8.525  -5.002
   54    HA   LEU   8           HA       LEU   8  -4.437   9.734  -6.464
   55    HB2  LEU   8          2HB       LEU   8  -4.468   7.839  -4.125
   56    HB3  LEU   8          3HB       LEU   8  -5.918   8.336  -4.995
   57    HG   LEU   8           HG       LEU   8  -3.602   6.916  -6.298
   58   HD11  LEU   8          1HD1      LEU   8  -4.992   4.898  -6.184
   59   HD12  LEU   8          2HD1      LEU   8  -6.159   5.768  -5.189
   60   HD13  LEU   8          3HD1      LEU   8  -4.529   5.475  -4.583
   61   HD21  LEU   8          1HD2      LEU   8  -5.432   6.384  -7.964
   62   HD22  LEU   8          2HD2      LEU   8  -4.880   8.059  -7.920
   63   HD23  LEU   8          3HD2      LEU   8  -6.402   7.611  -7.148
   64    H    LEU   9           HN       LEU   9  -2.936  10.618  -3.558
   65    HA   LEU   9           HA       LEU   9  -5.143  11.829  -2.236
   66    HB2  LEU   9          2HB       LEU   9  -3.110  11.196  -1.054
   67    HB3  LEU   9          3HB       LEU   9  -2.185  12.362  -1.998
   68    HG   LEU   9           HG       LEU   9  -4.323  13.730  -0.691
   69   HD11  LEU   9          1HD1      LEU   9  -2.541  12.327   1.272
   70   HD12  LEU   9          2HD1      LEU   9  -4.117  11.678   0.820
   71   HD13  LEU   9          3HD1      LEU   9  -4.002  13.267   1.576
   72   HD21  LEU   9          1HD2      LEU   9  -2.639  15.176  -0.048
   73   HD22  LEU   9          2HD2      LEU   9  -1.955  14.432  -1.493
   74   HD23  LEU   9          3HD2      LEU   9  -1.445  13.886   0.105
   75    H    AIB  10           HN       AIB  10  -2.643  12.908  -4.515
   76   HB11  AIB  10          1HB1      AIB  10  -1.862  13.819  -6.241
   77   HB12  AIB  10          2HB1      AIB  10  -2.865  14.962  -7.231
   78   HB13  AIB  10          3HB1      AIB  10  -1.557  15.605  -6.149
   79   HB21  AIB  10          1HB2      AIB  10  -3.515  16.035  -3.251
   80   HB22  AIB  10          2HB2      AIB  10  -1.850  16.022  -3.971
   81   HB23  AIB  10          3HB2      AIB  10  -3.148  17.058  -4.704
   82    HA   PRO  11           HA       PRO  11  -6.679  15.490  -7.608
   83    HB2  PRO  11          2HB       PRO  11  -7.752  13.064  -8.185
   84    HB3  PRO  11          3HB       PRO  11  -6.416  13.767  -9.105
   85    HG2  PRO  11          2HG       PRO  11  -6.343  11.713  -6.929
   86    HG3  PRO  11          3HG       PRO  11  -5.448  11.754  -8.459
   87    HD2  PRO  11          2HD       PRO  11  -4.335  12.484  -6.101
   88    HD3  PRO  11          3HD       PRO  11  -3.876  13.230  -7.645
   89    H    DCL  12           HN       DCL  12  -6.364  13.638  -4.746
   90    HA   DCL  12           HA       DCL  12  -9.331  13.442  -4.152
   91    HC1  DCL  12          2HB1      DCL  12  -9.312  15.676  -3.415
   92    HC2  DCL  12          3HB1      DCL  12  -8.650  14.901  -1.913
   93    HB1  DCL  12          2HB       DCL  12  -7.613  11.740  -3.358
   94    HB2  DCL  12          3HB       DCL  12  -6.919  13.021  -2.277
   95    HG   DCL  12           HG       DCL  12  -9.740  13.023  -1.807
   96   HD11  DCL  12          1HD1      DCL  12  -7.878  13.490  -0.179
   97   HD12  DCL  12          2HD1      DCL  12  -8.993  12.208   0.461
   98   HD13  DCL  12          3HD1      DCL  12  -7.386  11.744  -0.245
   99   HD21  DCL  12          1HD2      DCL  12 -10.164  10.867  -2.686
  100   HD22  DCL  12          2HD2      DCL  12  -8.567  10.215  -2.121
  101   HD23  DCL  12          3HD2      DCL  12  -9.885  10.560  -0.920
  102    HO   DCL  12          4H1       DCL  12  -6.754  16.093  -2.320
  Start of MODEL    4
    1    H1   ACE   1          1H1       ACE   1  -0.149  -0.106   0.973
    2    H2   ACE   1          2H1       ACE   1  -1.297  -0.050  -0.385
    3    H3   ACE   1          3H1       ACE   1   0.454  -0.091  -0.701
    4    H    AIB   2           HN       AIB   2   1.128   1.621   1.507
    5   HB11  AIB   2          1HB1      AIB   2   1.151   4.565   3.055
    6   HB12  AIB   2          2HB1      AIB   2   2.124   3.098   2.612
    7   HB13  AIB   2          3HB1      AIB   2   2.528   4.711   1.883
    8   HB21  AIB   2          1HB2      AIB   2  -1.214   3.723   2.009
    9   HB22  AIB   2          2HB2      AIB   2  -0.462   5.371   1.910
   10   HB23  AIB   2          3HB2      AIB   2  -1.151   4.596   0.421
   11    H    ASN   3           HN       ASN   3   1.745   2.606  -1.031
   12    HA   ASN   3           HA       ASN   3   2.917   4.996  -2.130
   13    HB2  ASN   3          2HB       ASN   3   3.449   2.286  -2.350
   14    HB3  ASN   3          3HB       ASN   3   2.783   2.699  -3.927
   15   HD21  ASN   3          1HD2      ASN   3   4.451   2.857  -5.250
   16   HD22  ASN   3          2HD2      ASN   3   5.877   3.792  -4.967
   17    H    ILE   4           HN       ILE   4  -0.073   3.354  -2.398
   18    HA   ILE   4           HA       ILE   4  -0.726   4.479  -4.995
   19    HB   ILE   4           HB       ILE   4  -2.545   2.976  -3.113
   20   HG12  ILE   4          2HG1      ILE   4  -1.975   1.156  -4.989
   21   HG13  ILE   4          3HG1      ILE   4  -0.462   2.054  -5.029
   22   HG21  ILE   4          1HG2      ILE   4  -3.040   4.365  -5.501
   23   HG22  ILE   4          2HG2      ILE   4  -3.094   2.650  -5.907
   24   HG23  ILE   4          3HG2      ILE   4  -4.133   3.288  -4.632
   25   HD11  ILE   4          1HD1      ILE   4  -0.684   0.006  -3.478
   26   HD12  ILE   4          2HD1      ILE   4   0.088   1.469  -2.865
   27   HD13  ILE   4          3HD1      ILE   4  -1.581   1.104  -2.430
   28    H    ILE   5           HN       ILE   5  -1.467   5.006  -1.603
   29    HA   ILE   5           HA       ILE   5  -3.554   6.896  -2.043
   30    HB   ILE   5           HB       ILE   5  -1.823   6.478   0.397
   31   HG12  ILE   5          2HG1      ILE   5  -4.577   5.434  -0.300
   32   HG13  ILE   5          3HG1      ILE   5  -3.099   4.480  -0.221
   33   HG21  ILE   5          1HG2      ILE   5  -2.845   8.681   0.402
   34   HG22  ILE   5          2HG2      ILE   5  -4.424   7.968   0.078
   35   HG23  ILE   5          3HG2      ILE   5  -3.609   7.647   1.609
   36   HD11  ILE   5          1HD1      ILE   5  -3.168   5.617   2.253
   37   HD12  ILE   5          2HD1      ILE   5  -4.880   5.367   1.909
   38   HD13  ILE   5          3HD1      ILE   5  -3.760   4.006   1.851
   39    H    AIB   6           HN       AIB   6  -0.046   7.013  -1.650
   40   HB11  AIB   6          1HB1      AIB   6   2.478   8.895  -1.296
   41   HB12  AIB   6          2HB1      AIB   6   1.890   7.588  -2.409
   42   HB13  AIB   6          3HB1      AIB   6   2.331   9.218  -3.076
   43   HB21  AIB   6          1HB2      AIB   6   0.990  10.979  -0.962
   44   HB22  AIB   6          2HB2      AIB   6  -0.672  10.359  -0.586
   45   HB23  AIB   6          3HB2      AIB   6   0.786   9.527   0.106
   46    HA   PRO   7           HA       PRO   7   0.114  10.945  -5.794
   47    HB2  PRO   7          2HB       PRO   7  -0.832   9.104  -7.551
   48    HB3  PRO   7          3HB       PRO   7   0.884   9.263  -7.157
   49    HG2  PRO   7          2HG       PRO   7  -1.128   7.311  -6.105
   50    HG3  PRO   7          3HG       PRO   7   0.548   7.028  -6.611
   51    HD2  PRO   7          2HD       PRO   7  -0.169   7.266  -4.011
   52    HD3  PRO   7          3HD       PRO   7   1.412   7.798  -4.618
   53    H    LEU   8           HN       LEU   8  -2.344   8.566  -4.838
   54    HA   LEU   8           HA       LEU   8  -4.520   9.821  -6.124
   55    HB2  LEU   8          2HB       LEU   8  -4.395   7.957  -3.763
   56    HB3  LEU   8          3HB       LEU   8  -5.903   8.488  -4.506
   57    HG   LEU   8           HG       LEU   8  -3.756   6.981  -5.991
   58   HD11  LEU   8          1HD1      LEU   8  -6.229   5.930  -4.624
   59   HD12  LEU   8          2HD1      LEU   8  -4.557   5.582  -4.187
   60   HD13  LEU   8          3HD1      LEU   8  -5.203   5.010  -5.725
   61   HD21  LEU   8          1HD2      LEU   8  -5.758   6.481  -7.468
   62   HD22  LEU   8          2HD2      LEU   8  -5.135   8.130  -7.515
   63   HD23  LEU   8          3HD2      LEU   8  -6.595   7.764  -6.595
   64    H    LEU   9           HN       LEU   9  -2.736  10.695  -3.379
   65    HA   LEU   9           HA       LEU   9  -4.778  11.990  -1.882
   66    HB2  LEU   9          2HB       LEU   9  -2.665  11.310  -0.878
   67    HB3  LEU   9          3HB       LEU   9  -1.796  12.434  -1.920
   68    HG   LEU   9           HG       LEU   9  -2.906  14.315  -0.787
   69   HD11  LEU   9          1HD1      LEU   9  -4.722  14.018   0.445
   70   HD12  LEU   9          2HD1      LEU   9  -3.823  12.985   1.555
   71   HD13  LEU   9          3HD1      LEU   9  -4.630  12.281   0.154
   72   HD21  LEU   9          1HD2      LEU   9  -0.715  13.314  -0.027
   73   HD22  LEU   9          2HD2      LEU   9  -1.628  12.496   1.241
   74   HD23  LEU   9          3HD2      LEU   9  -1.591  14.259   1.177
   75    H    AIB  10           HN       AIB  10  -2.463  12.963  -4.394
   76   HB11  AIB  10          1HB1      AIB  10  -1.467  15.621  -6.174
   77   HB12  AIB  10          2HB1      AIB  10  -1.795  13.836  -6.185
   78   HB13  AIB  10          3HB1      AIB  10  -2.875  14.964  -7.110
   79   HB21  AIB  10          1HB2      AIB  10  -1.675  15.858  -3.619
   80   HB22  AIB  10          2HB2      AIB  10  -2.460  17.048  -4.741
   81   HB23  AIB  10          3HB2      AIB  10  -3.378  16.402  -3.315
   82    HA   PRO  11           HA       PRO  11  -6.685  15.628  -7.149
   83    HB2  PRO  11          2HB       PRO  11  -7.877  13.229  -7.590
   84    HB3  PRO  11          3HB       PRO  11  -6.610  13.879  -8.637
   85    HG2  PRO  11          2HG       PRO  11  -6.401  11.852  -6.445
   86    HG3  PRO  11          3HG       PRO  11  -5.647  11.845  -8.050
   87    HD2  PRO  11          2HD       PRO  11  -4.304  12.571  -5.814
   88    HD3  PRO  11          3HD       PRO  11  -3.964  13.282  -7.405
   89    H    DCL  12           HN       DCL  12  -6.597  13.010  -4.729
   90    HA   DCL  12           HA       DCL  12  -9.314  13.927  -3.623
   91    HC1  DCL  12          2HB1      DCL  12  -8.441  14.181  -1.361
   92    HC2  DCL  12          3HB1      DCL  12  -6.833  13.478  -1.824
   93    HB1  DCL  12          2HB       DCL  12  -7.994  11.366  -3.935
   94    HB2  DCL  12          3HB       DCL  12  -8.169  11.687  -2.158
   95    HG   DCL  12           HG       DCL  12 -10.135  10.478  -3.007
   96   HD11  DCL  12          1HD1      DCL  12 -10.638  12.951  -4.797
   97   HD12  DCL  12          2HD1      DCL  12  -9.856  11.429  -5.402
   98   HD13  DCL  12          3HD1      DCL  12 -11.562  11.389  -4.780
   99   HD21  DCL  12          1HD2      DCL  12 -10.291  12.486  -1.299
  100   HD22  DCL  12          2HD2      DCL  12 -11.118  13.349  -2.664
  101   HD23  DCL  12          3HD2      DCL  12 -11.810  11.801  -2.016
  102    HO   DCL  12          4H1       DCL  12  -6.243  15.600  -2.397
  Start of MODEL    5
    1    H1   ACE   1          1H1       ACE   1   0.602  -0.041  -0.590
    2    H2   ACE   1          2H1       ACE   1   0.125   0.014   1.123
    3    H3   ACE   1          3H1       ACE   1  -1.121   0.020  -0.148
    4    H    AIB   2           HN       AIB   2   1.414   1.757   1.519
    5   HB11  AIB   2          1HB1      AIB   2   3.030   4.388   1.645
    6   HB12  AIB   2          2HB1      AIB   2   1.719   5.131   2.655
    7   HB13  AIB   2          3HB1      AIB   2   2.104   3.365   2.822
    8   HB21  AIB   2          1HB2      AIB   2  -0.910   4.715   0.443
    9   HB22  AIB   2          2HB2      AIB   2  -0.898   3.879   2.053
   10   HB23  AIB   2          3HB2      AIB   2  -0.141   5.519   1.876
   11    H    ASN   3           HN       ASN   3   1.875   2.636  -1.094
   12    HA   ASN   3           HA       ASN   3   2.997   4.968  -2.354
   13    HB2  ASN   3          2HB       ASN   3   3.146   2.089  -2.697
   14    HB3  ASN   3          3HB       ASN   3   2.947   2.910  -4.242
   15   HD21  ASN   3          1HD2      ASN   3   5.001   2.466  -4.949
   16   HD22  ASN   3          2HD2      ASN   3   6.409   3.201  -4.269
   17    H    ILE   4           HN       ILE   4  -0.027   3.376  -2.360
   18    HA   ILE   4           HA       ILE   4  -0.825   4.431  -4.952
   19    HB   ILE   4           HB       ILE   4  -2.422   2.875  -2.914
   20   HG12  ILE   4          2HG1      ILE   4  -1.119   2.000  -5.502
   21   HG13  ILE   4          3HG1      ILE   4  -0.571   1.581  -3.882
   22   HG21  ILE   4          1HG2      ILE   4  -4.228   3.372  -4.101
   23   HG22  ILE   4          2HG2      ILE   4  -3.257   4.386  -5.167
   24   HG23  ILE   4          3HG2      ILE   4  -3.479   2.676  -5.538
   25   HD11  ILE   4          1HD1      ILE   4  -2.886   0.539  -3.579
   26   HD12  ILE   4          2HD1      ILE   4  -3.016   0.655  -5.334
   27   HD13  ILE   4          3HD1      ILE   4  -1.724  -0.299  -4.607
   28    H    ILE   5           HN       ILE   5  -1.435   4.977  -1.527
   29    HA   ILE   5           HA       ILE   5  -3.504   6.900  -1.915
   30    HB   ILE   5           HB       ILE   5  -1.732   6.534   0.502
   31   HG12  ILE   5          2HG1      ILE   5  -4.403   5.281  -0.171
   32   HG13  ILE   5          3HG1      ILE   5  -2.858   4.442  -0.095
   33   HG21  ILE   5          1HG2      ILE   5  -4.428   7.396   1.020
   34   HG22  ILE   5          2HG2      ILE   5  -2.902   8.147   1.483
   35   HG23  ILE   5          3HG2      ILE   5  -3.620   8.505  -0.088
   36   HD11  ILE   5          1HD1      ILE   5  -4.604   5.412   2.092
   37   HD12  ILE   5          2HD1      ILE   5  -3.691   3.910   1.947
   38   HD13  ILE   5          3HD1      ILE   5  -2.861   5.410   2.359
   39    H    AIB   6           HN       AIB   6   0.012   6.957  -1.586
   40   HB11  AIB   6          1HB1      AIB   6   1.948   7.494  -2.321
   41   HB12  AIB   6          2HB1      AIB   6   2.380   9.086  -3.077
   42   HB13  AIB   6          3HB1      AIB   6   2.586   8.843  -1.290
   43   HB21  AIB   6          1HB2      AIB   6   0.974   9.471   0.151
   44   HB22  AIB   6          2HB2      AIB   6   1.071  10.931  -0.921
   45   HB23  AIB   6          3HB2      AIB   6  -0.546  10.252  -0.456
   46    HA   PRO   7           HA       PRO   7   0.161  10.903  -5.715
   47    HB2  PRO   7          2HB       PRO   7  -0.854   9.087  -7.460
   48    HB3  PRO   7          3HB       PRO   7   0.872   9.212  -7.099
   49    HG2  PRO   7          2HG       PRO   7  -1.155   7.295  -6.015
   50    HG3  PRO   7          3HG       PRO   7   0.505   6.981  -6.554
   51    HD2  PRO   7          2HD       PRO   7  -0.157   7.222  -3.940
   52    HD3  PRO   7          3HD       PRO   7   1.422   7.727  -4.576
   53    H    LEU   8           HN       LEU   8  -2.324   8.563  -4.730
   54    HA   LEU   8           HA       LEU   8  -4.498   9.869  -5.964
   55    HB2  LEU   8          2HB       LEU   8  -4.352   7.975  -3.630
   56    HB3  LEU   8          3HB       LEU   8  -5.871   8.555  -4.310
   57    HG   LEU   8           HG       LEU   8  -3.809   6.982  -5.851
   58   HD11  LEU   8          1HD1      LEU   8  -5.264   5.073  -5.593
   59   HD12  LEU   8          2HD1      LEU   8  -6.396   6.026  -4.634
   60   HD13  LEU   8          3HD1      LEU   8  -4.787   5.673  -4.005
   61   HD21  LEU   8          1HD2      LEU   8  -6.536   8.056  -6.466
   62   HD22  LEU   8          2HD2      LEU   8  -5.924   6.622  -7.291
   63   HD23  LEU   8          3HD2      LEU   8  -5.056   8.152  -7.421
   64    H    LEU   9           HN       LEU   9  -2.647  10.690  -3.249
   65    HA   LEU   9           HA       LEU   9  -4.635  12.012  -1.703
   66    HB2  LEU   9          2HB       LEU   9  -2.505  11.280  -0.759
   67    HB3  LEU   9          3HB       LEU   9  -1.648  12.420  -1.795
   68    HG   LEU   9           HG       LEU   9  -2.020  13.016   0.687
   69   HD11  LEU   9          1HD1      LEU   9  -1.528  15.114   0.092
   70   HD12  LEU   9          2HD1      LEU   9  -2.994  15.289  -0.872
   71   HD13  LEU   9          3HD1      LEU   9  -1.576  14.498  -1.560
   72   HD21  LEU   9          1HD2      LEU   9  -4.581  12.480   0.252
   73   HD22  LEU   9          2HD2      LEU   9  -4.600  14.184  -0.202
   74   HD23  LEU   9          3HD2      LEU   9  -4.065  13.706   1.410
   75    H    AIB  10           HN       AIB  10  -2.352  12.960  -4.253
   76   HB11  AIB  10          1HB1      AIB  10  -2.770  15.025  -6.947
   77   HB12  AIB  10          2HB1      AIB  10  -1.317  15.585  -6.015
   78   HB13  AIB  10          3HB1      AIB  10  -1.735  13.820  -6.071
   79   HB21  AIB  10          1HB2      AIB  10  -1.428  15.896  -3.599
   80   HB22  AIB  10          2HB2      AIB  10  -2.424  17.089  -4.535
   81   HB23  AIB  10          3HB2      AIB  10  -3.107  16.305  -3.047
   82    HA   PRO  11           HA       PRO  11  -6.576  15.721  -6.909
   83    HB2  PRO  11          2HB       PRO  11  -7.820  13.348  -7.343
   84    HB3  PRO  11          3HB       PRO  11  -6.561  13.982  -8.410
   85    HG2  PRO  11          2HG       PRO  11  -6.347  11.935  -6.236
   86    HG3  PRO  11          3HG       PRO  11  -5.625  11.927  -7.856
   87    HD2  PRO  11          2HD       PRO  11  -4.226  12.612  -5.640
   88    HD3  PRO  11          3HD       PRO  11  -3.904  13.328  -7.232
   89    H    DCL  12           HN       DCL  12  -6.530  13.044  -4.547
   90    HA   DCL  12           HA       DCL  12  -8.979  14.325  -3.159
   91    HC1  DCL  12          2HB1      DCL  12  -6.595  12.766  -1.925
   92    HC2  DCL  12          3HB1      DCL  12  -6.899  14.549  -1.784
   93    HB1  DCL  12          2HB       DCL  12  -8.425  11.534  -4.050
   94    HB2  DCL  12          3HB       DCL  12  -8.877  11.648  -2.297
   95    HG   DCL  12           HG       DCL  12 -10.758  13.317  -3.353
   96   HD11  DCL  12          1HD1      DCL  12 -11.789  11.648  -2.132
   97   HD12  DCL  12          2HD1      DCL  12 -11.944  10.775  -3.715
   98   HD13  DCL  12          3HD1      DCL  12 -10.543  10.421  -2.616
   99   HD21  DCL  12          1HD2      DCL  12 -10.749  11.124  -5.459
  100   HD22  DCL  12          2HD2      DCL  12 -11.499  12.777  -5.493
  101   HD23  DCL  12          3HD2      DCL  12  -9.705  12.587  -5.706
  102    HO   DCL  12          4H1       DCL  12  -8.283  14.020  -0.056
  Start of MODEL    6
    1    H1   ACE   1          1H1       ACE   1   0.612  -0.053  -0.723
    2    H2   ACE   1          2H1       ACE   1   0.017  -0.020   0.954
    3    H3   ACE   1          3H1       ACE   1  -1.138  -0.003  -0.400
    4    H    AIB   2           HN       AIB   2   1.347   1.720   1.383
    5   HB11  AIB   2          1HB1      AIB   2   2.249   5.242   1.955
    6   HB12  AIB   2          2HB1      AIB   2   1.485   3.976   3.006
    7   HB13  AIB   2          3HB1      AIB   2   2.851   3.532   1.896
    8   HB21  AIB   2          1HB2      AIB   2  -0.967   4.687   0.307
    9   HB22  AIB   2          2HB2      AIB   2  -0.981   3.827   1.904
   10   HB23  AIB   2          3HB2      AIB   2  -0.226   5.471   1.765
   11    H    ASN   3           HN       ASN   3   1.848   2.634  -1.211
   12    HA   ASN   3           HA       ASN   3   2.984   4.986  -2.421
   13    HB2  ASN   3          2HB       ASN   3   2.965   2.075  -2.978
   14    HB3  ASN   3          3HB       ASN   3   3.152   3.130  -4.376
   15   HD21  ASN   3          1HD2      ASN   3   4.467   2.383  -1.198
   16   HD22  ASN   3          2HD2      ASN   3   6.080   2.896  -1.545
   17    H    ILE   4           HN       ILE   4  -0.035   3.388  -2.497
   18    HA   ILE   4           HA       ILE   4  -0.794   4.472  -5.089
   19    HB   ILE   4           HB       ILE   4  -2.423   2.894  -3.093
   20   HG12  ILE   4          2HG1      ILE   4  -1.074   2.045  -5.666
   21   HG13  ILE   4          3HG1      ILE   4  -0.556   1.609  -4.041
   22   HG21  ILE   4          1HG2      ILE   4  -3.431   2.724  -5.740
   23   HG22  ILE   4          2HG2      ILE   4  -4.209   3.394  -4.307
   24   HG23  ILE   4          3HG2      ILE   4  -3.224   4.429  -5.340
   25   HD11  ILE   4          1HD1      ILE   4  -1.695  -0.266  -4.764
   26   HD12  ILE   4          2HD1      ILE   4  -2.909   0.590  -3.812
   27   HD13  ILE   4          3HD1      ILE   4  -2.945   0.680  -5.573
   28    H    ILE   5           HN       ILE   5  -1.447   4.987  -1.668
   29    HA   ILE   5           HA       ILE   5  -3.516   6.909  -2.065
   30    HB   ILE   5           HB       ILE   5  -1.772   6.514   0.368
   31   HG12  ILE   5          2HG1      ILE   5  -4.448   5.295  -0.343
   32   HG13  ILE   5          3HG1      ILE   5  -2.912   4.439  -0.262
   33   HG21  ILE   5          1HG2      ILE   5  -4.450   7.390   0.899
   34   HG22  ILE   5          2HG2      ILE   5  -2.920   8.152   1.330
   35   HG23  ILE   5          3HG2      ILE   5  -3.666   8.494  -0.231
   36   HD11  ILE   5          1HD1      ILE   5  -4.788   5.036   1.826
   37   HD12  ILE   5          2HD1      ILE   5  -3.385   3.966   1.844
   38   HD13  ILE   5          3HD1      ILE   5  -3.194   5.679   2.217
   39    H    AIB   6           HN       AIB   6  -0.004   6.970  -1.694
   40   HB11  AIB   6          1HB1      AIB   6   2.413   9.194  -3.072
   41   HB12  AIB   6          2HB1      AIB   6   2.535   8.761  -1.314
   42   HB13  AIB   6          3HB1      AIB   6   1.930   7.538  -2.511
   43   HB21  AIB   6          1HB2      AIB   6   1.046   9.526   0.039
   44   HB22  AIB   6          2HB2      AIB   6   0.925  10.992  -1.023
   45   HB23  AIB   6          3HB2      AIB   6  -0.581  10.147  -0.465
   46    HA   PRO   7           HA       PRO   7   0.185  10.951  -5.787
   47    HB2  PRO   7          2HB       PRO   7  -0.808   9.149  -7.558
   48    HB3  PRO   7          3HB       PRO   7   0.914   9.273  -7.177
   49    HG2  PRO   7          2HG       PRO   7  -1.123   7.344  -6.133
   50    HG3  PRO   7          3HG       PRO   7   0.543   7.037  -6.656
   51    HD2  PRO   7          2HD       PRO   7  -0.148   7.255  -4.047
   52    HD3  PRO   7          3HD       PRO   7   1.437   7.767  -4.660
   53    H    LEU   8           HN       LEU   8  -2.308   8.600  -4.851
   54    HA   LEU   8           HA       LEU   8  -4.470   9.913  -6.098
   55    HB2  LEU   8          2HB       LEU   8  -4.348   8.000  -3.779
   56    HB3  LEU   8          3HB       LEU   8  -5.860   8.583  -4.472
   57    HG   LEU   8           HG       LEU   8  -3.777   7.027  -6.002
   58   HD11  LEU   8          1HD1      LEU   8  -5.225   5.111  -5.773
   59   HD12  LEU   8          2HD1      LEU   8  -6.375   6.052  -4.825
   60   HD13  LEU   8          3HD1      LEU   8  -4.774   5.703  -4.174
   61   HD21  LEU   8          1HD2      LEU   8  -4.955   8.037  -7.661
   62   HD22  LEU   8          2HD2      LEU   8  -6.390   8.262  -6.661
   63   HD23  LEU   8          3HD2      LEU   8  -6.040   6.680  -7.358
   64    H    LEU   9           HN       LEU   9  -2.651  10.713  -3.355
   65    HA   LEU   9           HA       LEU   9  -4.658  12.019  -1.821
   66    HB2  LEU   9          2HB       LEU   9  -2.539  11.282  -0.857
   67    HB3  LEU   9          3HB       LEU   9  -1.671  12.430  -1.875
   68    HG   LEU   9           HG       LEU   9  -2.073  13.006   0.607
   69   HD11  LEU   9          1HD1      LEU   9  -1.380  14.496  -1.426
   70   HD12  LEU   9          2HD1      LEU   9  -1.832  15.234   0.110
   71   HD13  LEU   9          3HD1      LEU   9  -2.993  15.178  -1.216
   72   HD21  LEU   9          1HD2      LEU   9  -4.602  12.453   0.218
   73   HD22  LEU   9          2HD2      LEU   9  -4.666  14.119  -0.358
   74   HD23  LEU   9          3HD2      LEU   9  -4.129  13.774   1.286
   75    H    AIB  10           HN       AIB  10  -2.347  12.991  -4.337
   76   HB11  AIB  10          1HB1      AIB  10  -1.843  13.830  -6.229
   77   HB12  AIB  10          2HB1      AIB  10  -2.689  15.236  -7.003
   78   HB13  AIB  10          3HB1      AIB  10  -1.210  15.513  -5.988
   79   HB21  AIB  10          1HB2      AIB  10  -1.397  15.974  -3.737
   80   HB22  AIB  10          2HB2      AIB  10  -2.523  17.143  -4.547
   81   HB23  AIB  10          3HB2      AIB  10  -3.055  16.253  -3.058
   82    HA   PRO  11           HA       PRO  11  -6.544  15.771  -7.016
   83    HB2  PRO  11          2HB       PRO  11  -7.780  13.400  -7.485
   84    HB3  PRO  11          3HB       PRO  11  -6.511  14.045  -8.532
   85    HG2  PRO  11          2HG       PRO  11  -6.319  11.980  -6.373
   86    HG3  PRO  11          3HG       PRO  11  -5.578  11.986  -7.985
   87    HD2  PRO  11          2HD       PRO  11  -4.206  12.653  -5.748
   88    HD3  PRO  11          3HD       PRO  11  -3.866  13.383  -7.330
   89    H    DCL  12           HN       DCL  12  -6.500  13.096  -4.656
   90    HA   DCL  12           HA       DCL  12  -9.069  14.250  -3.384
   91    HC1  DCL  12          2HB1      DCL  12  -6.708  12.986  -1.830
   92    HC2  DCL  12          3HB1      DCL  12  -6.884  14.773  -2.089
   93    HB1  DCL  12          2HB       DCL  12  -8.640  11.673  -4.326
   94    HB2  DCL  12          3HB       DCL  12  -8.150  11.503  -2.587
   95    HG   DCL  12           HG       DCL  12 -10.506  13.013  -2.438
   96   HD11  DCL  12          1HD1      DCL  12 -10.422   9.928  -2.439
   97   HD12  DCL  12          2HD1      DCL  12  -9.586  10.906  -1.159
   98   HD13  DCL  12          3HD1      DCL  12 -11.386  11.029  -1.366
   99   HD21  DCL  12          1HD2      DCL  12 -11.077  12.666  -4.790
  100   HD22  DCL  12          2HD2      DCL  12 -10.791  10.880  -4.640
  101   HD23  DCL  12          3HD2      DCL  12 -12.177  11.656  -3.761
  102    HO   DCL  12          4H1       DCL  12  -8.381  14.716  -0.375
  Start of MODEL    7
    1    H1   ACE   1          1H1       ACE   1  -1.710   2.988   1.385
    2    H2   ACE   1          2H1       ACE   1  -1.149   2.448   2.986
    3    H3   ACE   1          3H1       ACE   1  -2.338   3.767   2.857
    4    H    AIB   2           HN       AIB   2  -0.042   3.728   0.379
    5   HB11  AIB   2          1HB1      AIB   2   3.523   5.292   1.471
    6   HB12  AIB   2          2HB1      AIB   2   2.375   5.569   2.848
    7   HB13  AIB   2          3HB1      AIB   2   2.550   3.911   2.130
    8   HB21  AIB   2          1HB2      AIB   2   0.028   6.928   0.529
    9   HB22  AIB   2          2HB2      AIB   2   0.729   6.916   2.202
   10   HB23  AIB   2          3HB2      AIB   2   1.742   7.458   0.796
   11    H    ASN   3           HN       ASN   3   1.465   3.234  -0.659
   12    HA   ASN   3           HA       ASN   3   3.319   4.357  -2.552
   13    HB2  ASN   3          2HB       ASN   3   2.796   1.817  -1.803
   14    HB3  ASN   3          3HB       ASN   3   1.811   1.905  -3.261
   15   HD21  ASN   3          1HD2      ASN   3   3.083   0.492  -4.409
   16   HD22  ASN   3          2HD2      ASN   3   4.669   0.896  -4.962
   17    H    ILE   4           HN       ILE   4  -0.006   3.096  -2.872
   18    HA   ILE   4           HA       ILE   4  -0.340   4.642  -5.322
   19    HB   ILE   4           HB       ILE   4  -2.209   2.668  -4.004
   20   HG12  ILE   4          2HG1      ILE   4  -0.460   2.355  -6.454
   21   HG13  ILE   4          3HG1      ILE   4  -0.087   1.693  -4.866
   22   HG21  ILE   4          1HG2      ILE   4  -2.561   4.545  -6.188
   23   HG22  ILE   4          2HG2      ILE   4  -2.878   2.881  -6.676
   24   HG23  ILE   4          3HG2      ILE   4  -3.758   3.585  -5.319
   25   HD11  ILE   4          1HD1      ILE   4  -1.014  -0.129  -5.858
   26   HD12  ILE   4          2HD1      ILE   4  -2.460   0.591  -5.149
   27   HD13  ILE   4          3HD1      ILE   4  -2.104   0.829  -6.860
   28    H    ILE   5           HN       ILE   5  -1.253   4.704  -1.991
   29    HA   ILE   5           HA       ILE   5  -3.545   6.367  -2.233
   30    HB   ILE   5           HB       ILE   5  -1.698   6.001   0.129
   31   HG12  ILE   5          2HG1      ILE   5  -2.702   3.894  -0.599
   32   HG13  ILE   5          3HG1      ILE   5  -3.409   4.416   0.926
   33   HG21  ILE   5          1HG2      ILE   5  -4.333   7.378  -0.206
   34   HG22  ILE   5          2HG2      ILE   5  -3.879   6.676   1.346
   35   HG23  ILE   5          3HG2      ILE   5  -2.879   7.935   0.621
   36   HD11  ILE   5          1HD1      ILE   5  -5.376   4.053  -0.033
   37   HD12  ILE   5          2HD1      ILE   5  -5.077   5.519  -0.968
   38   HD13  ILE   5          3HD1      ILE   5  -4.661   3.944  -1.641
   39    H    AIB   6           HN       AIB   6  -0.068   6.904  -1.739
   40   HB11  AIB   6          1HB1      AIB   6   2.139   9.591  -2.711
   41   HB12  AIB   6          2HB1      AIB   6   2.082   8.904  -1.033
   42   HB13  AIB   6          3HB1      AIB   6   1.833   7.819  -2.467
   43   HB21  AIB   6          1HB2      AIB   6  -1.262  10.072  -0.661
   44   HB22  AIB   6          2HB2      AIB   6   0.279   9.533   0.128
   45   HB23  AIB   6          3HB2      AIB   6   0.272  10.998  -0.943
   46    HA   PRO   7           HA       PRO   7  -0.053  10.857  -5.811
   47    HB2  PRO   7          2HB       PRO   7  -0.583   8.919  -7.637
   48    HB3  PRO   7          3HB       PRO   7   1.053   9.297  -7.085
   49    HG2  PRO   7          2HG       PRO   7  -0.779   7.095  -6.214
   50    HG3  PRO   7          3HG       PRO   7   0.960   7.034  -6.558
   51    HD2  PRO   7          2HD       PRO   7  -0.023   7.162  -4.038
   52    HD3  PRO   7          3HD       PRO   7   1.525   7.899  -4.497
   53    H    LEU   8           HN       LEU   8  -2.293   8.724  -4.350
   54    HA   LEU   8           HA       LEU   8  -4.501   9.478  -6.084
   55    HB2  LEU   8          2HB       LEU   8  -4.119   7.574  -3.826
   56    HB3  LEU   8          3HB       LEU   8  -5.750   8.131  -4.195
   57    HG   LEU   8           HG       LEU   8  -3.910   6.684  -6.100
   58   HD11  LEU   8          1HD1      LEU   8  -6.372   5.746  -4.635
   59   HD12  LEU   8          2HD1      LEU   8  -4.714   5.235  -4.319
   60   HD13  LEU   8          3HD1      LEU   8  -5.485   4.830  -5.853
   61   HD21  LEU   8          1HD2      LEU   8  -6.606   7.936  -6.388
   62   HD22  LEU   8          2HD2      LEU   8  -6.212   6.487  -7.314
   63   HD23  LEU   8          3HD2      LEU   8  -5.236   7.945  -7.499
   64    H    LEU   9           HN       LEU   9  -3.111  10.385  -3.048
   65    HA   LEU   9           HA       LEU   9  -5.397  11.669  -1.948
   66    HB2  LEU   9          2HB       LEU   9  -3.733  11.091  -0.413
   67    HB3  LEU   9          3HB       LEU   9  -2.454  11.795  -1.401
   68    HG   LEU   9           HG       LEU   9  -3.288  14.044  -0.838
   69   HD11  LEU   9          1HD1      LEU   9  -4.892  13.304   1.429
   70   HD12  LEU   9          2HD1      LEU   9  -5.589  12.663  -0.058
   71   HD13  LEU   9          3HD1      LEU   9  -5.271  14.391   0.093
   72   HD21  LEU   9          1HD2      LEU   9  -1.568  13.576   0.570
   73   HD22  LEU   9          2HD2      LEU   9  -2.326  12.109   1.192
   74   HD23  LEU   9          3HD2      LEU   9  -2.862  13.690   1.763
   75    H    AIB  10           HN       AIB  10  -2.630  12.672  -3.938
   76   HB11  AIB  10          1HB1      AIB  10  -2.411  15.003  -6.597
   77   HB12  AIB  10          2HB1      AIB  10  -1.175  15.137  -5.276
   78   HB13  AIB  10          3HB1      AIB  10  -1.821  13.509  -5.754
   79   HB21  AIB  10          1HB2      AIB  10  -2.111  15.503  -2.878
   80   HB22  AIB  10          2HB2      AIB  10  -2.418  16.713  -4.194
   81   HB23  AIB  10          3HB2      AIB  10  -3.773  16.193  -3.104
   82    HA   PRO  11           HA       PRO  11  -6.216  15.403  -7.430
   83    HB2  PRO  11          2HB       PRO  11  -7.299  13.018  -8.142
   84    HB3  PRO  11          3HB       PRO  11  -5.849  13.680  -8.904
   85    HG2  PRO  11          2HG       PRO  11  -6.082  11.614  -6.750
   86    HG3  PRO  11          3HG       PRO  11  -5.024  11.632  -8.173
   87    HD2  PRO  11          2HD       PRO  11  -4.152  12.313  -5.702
   88    HD3  PRO  11          3HD       PRO  11  -3.502  13.050  -7.181
   89    H    DCL  12           HN       DCL  12  -6.275  13.542  -4.562
   90    HA   DCL  12           HA       DCL  12  -9.213  13.183  -4.244
   91    HC1  DCL  12          2HB1      DCL  12  -9.158  15.065  -2.273
   92    HC2  DCL  12          3HB1      DCL  12  -7.929  15.815  -3.378
   93    HB1  DCL  12          2HB       DCL  12  -7.066  12.181  -2.924
   94    HB2  DCL  12          3HB       DCL  12  -7.414  13.585  -1.829
   95    HG   DCL  12           HG       DCL  12  -9.936  12.641  -2.071
   96   HD11  DCL  12          1HD1      DCL  12  -7.592  12.085  -0.248
   97   HD12  DCL  12          2HD1      DCL  12  -9.249  12.712   0.147
   98   HD13  DCL  12          3HD1      DCL  12  -8.982  10.930  -0.083
   99   HD21  DCL  12          1HD2      DCL  12  -8.404  10.005  -2.034
  100   HD22  DCL  12          2HD2      DCL  12 -10.155  10.330  -2.385
  101   HD23  DCL  12          3HD2      DCL  12  -8.888  10.750  -3.616
  102    HO   DCL  12          4H1       DCL  12  -9.697  16.434  -4.671
  Start of MODEL    8
    1    H1   ACE   1          1H1       ACE   1   1.886   0.522   3.545
    2    H2   ACE   1          2H1       ACE   1   0.706  -0.278   2.479
    3    H3   ACE   1          3H1       ACE   1   2.189   0.430   1.794
    4    H    AIB   2           HN       AIB   2   1.884   2.135   0.687
    5   HB11  AIB   2          1HB1      AIB   2   1.858   4.834   2.353
    6   HB12  AIB   2          2HB1      AIB   2   0.496   5.880   1.769
    7   HB13  AIB   2          3HB1      AIB   2   0.175   4.557   2.970
    8   HB21  AIB   2          1HB2      AIB   2  -1.318   2.743   1.171
    9   HB22  AIB   2          2HB2      AIB   2  -1.522   4.544   1.257
   10   HB23  AIB   2          3HB2      AIB   2  -1.227   3.739  -0.342
   11    H    ASN   3           HN       ASN   3   1.534   2.628  -1.112
   12    HA   ASN   3           HA       ASN   3   2.824   4.936  -2.238
   13    HB2  ASN   3          2HB       ASN   3   3.264   2.226  -2.392
   14    HB3  ASN   3          3HB       ASN   3   2.570   2.582  -3.971
   15   HD21  ASN   3          1HD2      ASN   3   5.330   1.879  -2.979
   16   HD22  ASN   3          2HD2      ASN   3   6.352   3.076  -3.691
   17    H    ILE   4           HN       ILE   4  -0.243   3.445  -2.530
   18    HA   ILE   4           HA       ILE   4  -0.788   4.655  -5.129
   19    HB   ILE   4           HB       ILE   4  -2.572   2.964  -3.372
   20   HG12  ILE   4          2HG1      ILE   4  -1.036   2.247  -5.879
   21   HG13  ILE   4          3HG1      ILE   4  -0.605   1.753  -4.246
   22   HG21  ILE   4          1HG2      ILE   4  -4.237   3.625  -4.682
   23   HG22  ILE   4          2HG2      ILE   4  -3.135   4.593  -5.659
   24   HG23  ILE   4          3HG2      ILE   4  -3.404   2.895  -6.054
   25   HD11  ILE   4          1HD1      ILE   4  -1.676  -0.091  -5.220
   26   HD12  ILE   4          2HD1      ILE   4  -2.870   0.633  -4.142
   27   HD13  ILE   4          3HD1      ILE   4  -2.971   0.907  -5.881
   28    H    ILE   5           HN       ILE   5  -1.560   5.049  -1.741
   29    HA   ILE   5           HA       ILE   5  -3.684   6.914  -2.117
   30    HB   ILE   5           HB       ILE   5  -1.950   6.452   0.312
   31   HG12  ILE   5          2HG1      ILE   5  -3.198   4.449  -0.429
   32   HG13  ILE   5          3HG1      ILE   5  -3.781   5.057   1.117
   33   HG21  ILE   5          1HG2      ILE   5  -4.473   8.025  -0.107
   34   HG22  ILE   5          2HG2      ILE   5  -3.985   7.439   1.482
   35   HG23  ILE   5          3HG2      ILE   5  -2.947   8.559   0.598
   36   HD11  ILE   5          1HD1      ILE   5  -5.275   4.493  -1.172
   37   HD12  ILE   5          2HD1      ILE   5  -5.829   5.262   0.316
   38   HD13  ILE   5          3HD1      ILE   5  -5.258   6.250  -1.029
   39    H    AIB   6           HN       AIB   6  -0.180   7.087  -1.610
   40   HB11  AIB   6          1HB1      AIB   6   2.209   9.284  -2.910
   41   HB12  AIB   6          2HB1      AIB   6   2.282   9.111  -1.105
   42   HB13  AIB   6          3HB1      AIB   6   1.788   7.700  -2.134
   43   HB21  AIB   6          1HB2      AIB   6   0.701  11.088  -0.862
   44   HB22  AIB   6          2HB2      AIB   6  -0.966  10.425  -0.594
   45   HB23  AIB   6          3HB2      AIB   6   0.463   9.639   0.202
   46    HA   PRO   7           HA       PRO   7   0.157  10.981  -5.748
   47    HB2  PRO   7          2HB       PRO   7  -0.655   9.106  -7.535
   48    HB3  PRO   7          3HB       PRO   7   1.031   9.294  -7.039
   49    HG2  PRO   7          2HG       PRO   7  -1.016   7.328  -6.088
   50    HG3  PRO   7          3HG       PRO   7   0.691   7.061  -6.486
   51    HD2  PRO   7          2HD       PRO   7  -0.188   7.320  -3.938
   52    HD3  PRO   7          3HD       PRO   7   1.421   7.867  -4.453
   53    H    LEU   8           HN       LEU   8  -2.325   8.573  -4.932
   54    HA   LEU   8           HA       LEU   8  -4.429   9.810  -6.354
   55    HB2  LEU   8          2HB       LEU   8  -4.351   7.858  -4.075
   56    HB3  LEU   8          3HB       LEU   8  -5.872   8.460  -4.730
   57    HG   LEU   8           HG       LEU   8  -3.792   6.868  -6.228
   58   HD11  LEU   8          1HD1      LEU   8  -6.571   6.129  -5.324
   59   HD12  LEU   8          2HD1      LEU   8  -5.069   5.560  -4.596
   60   HD13  LEU   8          3HD1      LEU   8  -5.469   5.114  -6.255
   61   HD21  LEU   8          1HD2      LEU   8  -6.120   8.449  -7.096
   62   HD22  LEU   8          2HD2      LEU   8  -6.005   6.824  -7.771
   63   HD23  LEU   8          3HD2      LEU   8  -4.677   7.965  -7.986
   64    H    LEU   9           HN       LEU   9  -2.834  10.685  -3.501
   65    HA   LEU   9           HA       LEU   9  -4.984  11.926  -2.114
   66    HB2  LEU   9          2HB       LEU   9  -2.912  11.271  -1.003
   67    HB3  LEU   9          3HB       LEU   9  -2.016  12.440  -1.972
   68    HG   LEU   9           HG       LEU   9  -3.596  14.180  -0.856
   69   HD11  LEU   9          1HD1      LEU   9  -3.634  12.672   1.589
   70   HD12  LEU   9          2HD1      LEU   9  -4.556  11.841   0.337
   71   HD13  LEU   9          3HD1      LEU   9  -4.951  13.505   0.764
   72   HD21  LEU   9          1HD2      LEU   9  -1.497  14.605  -0.189
   73   HD22  LEU   9          2HD2      LEU   9  -1.118  12.899   0.046
   74   HD23  LEU   9          3HD2      LEU   9  -1.980  13.793   1.300
   75    H    AIB  10           HN       AIB  10  -2.538  12.973  -4.468
   76   HB11  AIB  10          1HB1      AIB  10  -1.848  13.849  -6.259
   77   HB12  AIB  10          2HB1      AIB  10  -2.791  15.097  -7.178
   78   HB13  AIB  10          3HB1      AIB  10  -1.428  15.606  -6.093
   79   HB21  AIB  10          1HB2      AIB  10  -3.548  16.299  -3.343
   80   HB22  AIB  10          2HB2      AIB  10  -1.810  15.932  -3.708
   81   HB23  AIB  10          3HB2      AIB  10  -2.732  17.093  -4.754
   82    HA   PRO  11           HA       PRO  11  -6.626  15.568  -7.475
   83    HB2  PRO  11          2HB       PRO  11  -7.728  13.146  -8.014
   84    HB3  PRO  11          3HB       PRO  11  -6.410  13.836  -8.968
   85    HG2  PRO  11          2HG       PRO  11  -6.299  11.792  -6.784
   86    HG3  PRO  11          3HG       PRO  11  -5.440  11.819  -8.335
   87    HD2  PRO  11          2HD       PRO  11  -4.268  12.554  -6.007
   88    HD3  PRO  11          3HD       PRO  11  -3.839  13.289  -7.565
   89    H    DCL  12           HN       DCL  12  -6.382  13.357  -4.774
   90    HA   DCL  12           HA       DCL  12  -9.338  13.621  -4.063
   91    HC1  DCL  12          2HB1      DCL  12  -8.979  14.807  -1.984
   92    HC2  DCL  12          3HB1      DCL  12  -7.181  14.572  -2.062
   93    HB1  DCL  12          2HB       DCL  12  -7.974  11.459  -3.772
   94    HB2  DCL  12          3HB       DCL  12  -7.076  12.301  -2.439
   95    HG   DCL  12           HG       DCL  12  -9.986  12.607  -2.125
   96   HD11  DCL  12          1HD1      DCL  12  -8.652  12.964  -0.193
   97   HD12  DCL  12          2HD1      DCL  12  -9.198  11.253   0.073
   98   HD13  DCL  12          3HD1      DCL  12  -7.539  11.586  -0.587
   99   HD21  DCL  12          1HD2      DCL  12  -9.944   9.980  -1.312
  100   HD22  DCL  12          2HD2      DCL  12 -10.616  10.548  -2.900
  101   HD23  DCL  12          3HD2      DCL  12  -8.930   9.879  -2.813
  102    HO   DCL  12          4H1       DCL  12  -7.133  16.519  -3.240
  Start of MODEL    9
    1    H1   ACE   1          1H1       ACE   1   0.972  -0.786   2.956
    2    H2   ACE   1          2H1       ACE   1   1.827  -0.430   1.436
    3    H3   ACE   1          3H1       ACE   1   2.282   0.418   2.934
    4    H    AIB   2           HN       AIB   2   1.813   1.803   0.676
    5   HB11  AIB   2          1HB1      AIB   2  -0.863   3.478   2.627
    6   HB12  AIB   2          2HB1      AIB   2   0.724   4.301   2.317
    7   HB13  AIB   2          3HB1      AIB   2  -0.790   4.919   1.529
    8   HB21  AIB   2          1HB2      AIB   2  -2.150   2.821   0.886
    9   HB22  AIB   2          2HB2      AIB   2  -1.572   2.980  -0.826
   10   HB23  AIB   2          3HB2      AIB   2  -1.290   1.438   0.088
   11    H    ASN   3           HN       ASN   3   1.692   2.315  -1.147
   12    HA   ASN   3           HA       ASN   3   2.748   4.803  -1.883
   13    HB2  ASN   3          2HB       ASN   3   2.941   2.052  -2.799
   14    HB3  ASN   3          3HB       ASN   3   2.981   3.187  -4.145
   15   HD21  ASN   3          1HD2      ASN   3   5.077   1.469  -3.049
   16   HD22  ASN   3          2HD2      ASN   3   6.382   2.523  -2.635
   17    H    ILE   4           HN       ILE   4  -0.233   3.316  -2.671
   18    HA   ILE   4           HA       ILE   4  -0.660   4.809  -5.108
   19    HB   ILE   4           HB       ILE   4  -2.715   3.280  -3.514
   20   HG12  ILE   4          2HG1      ILE   4  -2.073   1.637  -5.579
   21   HG13  ILE   4          3HG1      ILE   4  -0.502   2.355  -5.241
   22   HG21  ILE   4          1HG2      ILE   4  -3.056   3.232  -6.356
   23   HG22  ILE   4          2HG2      ILE   4  -4.141   3.853  -5.114
   24   HG23  ILE   4          3HG2      ILE   4  -2.900   4.899  -5.803
   25   HD11  ILE   4          1HD1      ILE   4  -1.959   1.429  -2.875
   26   HD12  ILE   4          2HD1      ILE   4  -1.493   0.163  -4.012
   27   HD13  ILE   4          3HD1      ILE   4  -0.266   1.227  -3.325
   28    H    ILE   5           HN       ILE   5  -1.213   5.236  -1.733
   29    HA   ILE   5           HA       ILE   5  -3.337   7.126  -1.923
   30    HB   ILE   5           HB       ILE   5  -1.350   6.688   0.310
   31   HG12  ILE   5          2HG1      ILE   5  -2.727   4.704  -0.243
   32   HG13  ILE   5          3HG1      ILE   5  -3.100   5.354   1.350
   33   HG21  ILE   5          1HG2      ILE   5  -3.533   7.687   1.517
   34   HG22  ILE   5          2HG2      ILE   5  -2.181   8.679   0.974
   35   HG23  ILE   5          3HG2      ILE   5  -3.625   8.533  -0.028
   36   HD11  ILE   5          1HD1      ILE   5  -4.705   5.791  -1.157
   37   HD12  ILE   5          2HD1      ILE   5  -5.116   4.706   0.172
   38   HD13  ILE   5          3HD1      ILE   5  -5.079   6.450   0.435
   39    H    AIB   6           HN       AIB   6   0.203   7.261  -1.817
   40   HB11  AIB   6          1HB1      AIB   6   2.439   9.360  -3.456
   41   HB12  AIB   6          2HB1      AIB   6   2.738   9.297  -1.668
   42   HB13  AIB   6          3HB1      AIB   6   2.112   7.831  -2.537
   43   HB21  AIB   6          1HB2      AIB   6  -0.416  10.679  -0.836
   44   HB22  AIB   6          2HB2      AIB   6   1.025   9.825  -0.138
   45   HB23  AIB   6          3HB2      AIB   6   1.258  11.240  -1.251
   46    HA   PRO   7           HA       PRO   7   0.112  11.062  -6.057
   47    HB2  PRO   7          2HB       PRO   7  -0.908   9.158  -7.702
   48    HB3  PRO   7          3HB       PRO   7   0.824   9.340  -7.401
   49    HG2  PRO   7          2HG       PRO   7  -1.118   7.414  -6.184
   50    HG3  PRO   7          3HG       PRO   7   0.532   7.122  -6.765
   51    HD2  PRO   7          2HD       PRO   7  -0.054   7.443  -4.141
   52    HD3  PRO   7          3HD       PRO   7   1.490   7.964  -4.845
   53    H    LEU   8           HN       LEU   8  -2.279   8.699  -4.909
   54    HA   LEU   8           HA       LEU   8  -4.522   9.921  -6.117
   55    HB2  LEU   8          2HB       LEU   8  -4.202   8.027  -3.810
   56    HB3  LEU   8          3HB       LEU   8  -5.783   8.626  -4.309
   57    HG   LEU   8           HG       LEU   8  -3.891   6.980  -5.988
   58   HD11  LEU   8          1HD1      LEU   8  -5.592   5.245  -5.784
   59   HD12  LEU   8          2HD1      LEU   8  -6.540   6.289  -4.725
   60   HD13  LEU   8          3HD1      LEU   8  -4.960   5.705  -4.203
   61   HD21  LEU   8          1HD2      LEU   8  -5.920   6.865  -7.500
   62   HD22  LEU   8          2HD2      LEU   8  -5.049   8.399  -7.474
   63   HD23  LEU   8          3HD2      LEU   8  -6.562   8.228  -6.582
   64    H    LEU   9           HN       LEU   9  -2.608  10.852  -3.486
   65    HA   LEU   9           HA       LEU   9  -4.580  12.148  -1.898
   66    HB2  LEU   9          2HB       LEU   9  -2.402  11.502  -1.010
   67    HB3  LEU   9          3HB       LEU   9  -1.611  12.634  -2.106
   68    HG   LEU   9           HG       LEU   9  -2.823  14.483  -0.914
   69   HD11  LEU   9          1HD1      LEU   9  -4.228  14.118   0.788
   70   HD12  LEU   9          2HD1      LEU   9  -3.223  12.841   1.471
   71   HD13  LEU   9          3HD1      LEU   9  -4.333  12.477   0.151
   72   HD21  LEU   9          1HD2      LEU   9  -1.327  14.429   1.050
   73   HD22  LEU   9          2HD2      LEU   9  -0.495  14.040  -0.456
   74   HD23  LEU   9          3HD2      LEU   9  -0.929  12.753   0.671
   75    H    AIB  10           HN       AIB  10  -2.408  13.112  -4.539
   76   HB11  AIB  10          1HB1      AIB  10  -1.314  15.426  -6.210
   77   HB12  AIB  10          2HB1      AIB  10  -2.201  13.892  -6.601
   78   HB13  AIB  10          3HB1      AIB  10  -2.824  15.483  -7.214
   79   HB21  AIB  10          1HB2      AIB  10  -1.567  16.093  -3.969
   80   HB22  AIB  10          2HB2      AIB  10  -2.631  17.231  -4.899
   81   HB23  AIB  10          3HB2      AIB  10  -3.244  16.453  -3.378
   82    HA   PRO  11           HA       PRO  11  -6.791  15.670  -7.134
   83    HB2  PRO  11          2HB       PRO  11  -7.963  13.246  -7.482
   84    HB3  PRO  11          3HB       PRO  11  -6.756  13.898  -8.597
   85    HG2  PRO  11          2HG       PRO  11  -6.414  11.910  -6.385
   86    HG3  PRO  11          3HG       PRO  11  -5.735  11.889  -8.023
   87    HD2  PRO  11          2HD       PRO  11  -4.303  12.671  -5.862
   88    HD3  PRO  11          3HD       PRO  11  -4.048  13.362  -7.478
   89    H    DCL  12           HN       DCL  12  -6.572  13.069  -4.700
   90    HA   DCL  12           HA       DCL  12  -9.077  14.245  -3.318
   91    HC1  DCL  12          2HB1      DCL  12  -6.482  13.068  -2.091
   92    HC2  DCL  12          3HB1      DCL  12  -7.093  14.771  -1.949
   93    HB1  DCL  12          2HB       DCL  12  -8.897  11.718  -4.352
   94    HB2  DCL  12          3HB       DCL  12  -8.169  11.420  -2.716
   95    HG   DCL  12           HG       DCL  12 -10.385  12.969  -2.080
   96   HD11  DCL  12          1HD1      DCL  12  -9.572  10.076  -2.079
   97   HD12  DCL  12          2HD1      DCL  12 -10.268  11.085  -0.742
   98   HD13  DCL  12          3HD1      DCL  12 -11.365  10.332  -1.977
   99   HD21  DCL  12          1HD2      DCL  12 -12.257  12.467  -3.373
  100   HD22  DCL  12          2HD2      DCL  12 -10.980  12.571  -4.658
  101   HD23  DCL  12          3HD2      DCL  12 -11.525  10.950  -4.048
  102    HO   DCL  12          4H1       DCL  12  -8.314  14.021  -0.181
  Start of MODEL   10
    1    H1   ACE   1          1H1       ACE   1   2.402   0.174   1.898
    2    H2   ACE   1          2H1       ACE   1   1.635  -0.106   3.479
    3    H3   ACE   1          3H1       ACE   1   1.074  -1.002   2.047
    4    H    AIB   2           HN       AIB   2   1.801   1.750   0.697
    5   HB11  AIB   2          1HB1      AIB   2  -0.725   4.907   1.590
    6   HB12  AIB   2          2HB1      AIB   2  -0.841   3.467   2.689
    7   HB13  AIB   2          3HB1      AIB   2   0.771   4.240   2.370
    8   HB21  AIB   2          1HB2      AIB   2  -1.524   2.802  -0.801
    9   HB22  AIB   2          2HB2      AIB   2  -1.378   1.410   0.353
   10   HB23  AIB   2          3HB2      AIB   2  -2.169   2.954   0.887
   11    H    ASN   3           HN       ASN   3   1.644   2.256  -1.125
   12    HA   ASN   3           HA       ASN   3   2.704   4.730  -1.895
   13    HB2  ASN   3          2HB       ASN   3   2.863   1.976  -2.792
   14    HB3  ASN   3          3HB       ASN   3   2.860   3.092  -4.154
   15   HD21  ASN   3          1HD2      ASN   3   4.613   4.345  -4.537
   16   HD22  ASN   3          2HD2      ASN   3   6.078   4.256  -3.625
   17    H    ILE   4           HN       ILE   4  -0.307   3.267  -2.608
   18    HA   ILE   4           HA       ILE   4  -0.777   4.755  -5.041
   19    HB   ILE   4           HB       ILE   4  -2.807   3.249  -3.396
   20   HG12  ILE   4          2HG1      ILE   4  -2.226   1.595  -5.470
   21   HG13  ILE   4          3HG1      ILE   4  -0.641   2.300  -5.169
   22   HG21  ILE   4          1HG2      ILE   4  -3.030   4.862  -5.685
   23   HG22  ILE   4          2HG2      ILE   4  -3.211   3.196  -6.230
   24   HG23  ILE   4          3HG2      ILE   4  -4.265   3.830  -4.966
   25   HD11  ILE   4          1HD1      ILE   4  -1.435   0.109  -3.955
   26   HD12  ILE   4          2HD1      ILE   4  -0.440   1.310  -3.129
   27   HD13  ILE   4          3HD1      ILE   4  -2.181   1.266  -2.853
   28    H    ILE   5           HN       ILE   5  -1.253   5.195  -1.655
   29    HA   ILE   5           HA       ILE   5  -3.363   7.104  -1.805
   30    HB   ILE   5           HB       ILE   5  -1.333   6.654   0.386
   31   HG12  ILE   5          2HG1      ILE   5  -2.740   4.682  -0.132
   32   HG13  ILE   5          3HG1      ILE   5  -3.073   5.339   1.466
   33   HG21  ILE   5          1HG2      ILE   5  -3.329   7.699   1.722
   34   HG22  ILE   5          2HG2      ILE   5  -2.157   8.732   0.906
   35   HG23  ILE   5          3HG2      ILE   5  -3.724   8.418   0.161
   36   HD11  ILE   5          1HD1      ILE   5  -5.082   6.388   0.661
   37   HD12  ILE   5          2HD1      ILE   5  -4.726   5.874  -0.989
   38   HD13  ILE   5          3HD1      ILE   5  -5.101   4.674   0.248
   39    H    AIB   6           HN       AIB   6   0.179   7.208  -1.776
   40   HB11  AIB   6          1HB1      AIB   6   2.497   9.486  -3.309
   41   HB12  AIB   6          2HB1      AIB   6   2.675   8.975  -1.577
   42   HB13  AIB   6          3HB1      AIB   6   2.037   7.804  -2.809
   43   HB21  AIB   6          1HB2      AIB   6  -0.319  10.840  -0.955
   44   HB22  AIB   6          2HB2      AIB   6   0.797   9.713  -0.075
   45   HB23  AIB   6          3HB2      AIB   6   1.477  11.027  -1.126
   46    HA   PRO   7           HA       PRO   7   0.030  11.001  -6.023
   47    HB2  PRO   7          2HB       PRO   7  -1.043   9.102  -7.640
   48    HB3  PRO   7          3HB       PRO   7   0.697   9.269  -7.378
   49    HG2  PRO   7          2HG       PRO   7  -1.235   7.363  -6.115
   50    HG3  PRO   7          3HG       PRO   7   0.400   7.056  -6.730
   51    HD2  PRO   7          2HD       PRO   7  -0.126   7.387  -4.095
   52    HD3  PRO   7          3HD       PRO   7   1.407   7.893  -4.833
   53    H    LEU   8           HN       LEU   8  -2.356   8.661  -4.817
   54    HA   LEU   8           HA       LEU   8  -4.614   9.900  -5.979
   55    HB2  LEU   8          2HB       LEU   8  -4.261   8.009  -3.674
   56    HB3  LEU   8          3HB       LEU   8  -5.847   8.620  -4.141
   57    HG   LEU   8           HG       LEU   8  -4.005   6.954  -5.856
   58   HD11  LEU   8          1HD1      LEU   8  -5.736   5.241  -5.617
   59   HD12  LEU   8          2HD1      LEU   8  -6.624   6.293  -4.515
   60   HD13  LEU   8          3HD1      LEU   8  -5.035   5.679  -4.059
   61   HD21  LEU   8          1HD2      LEU   8  -5.167   8.337  -7.347
   62   HD22  LEU   8          2HD2      LEU   8  -6.651   8.268  -6.396
   63   HD23  LEU   8          3HD2      LEU   8  -6.112   6.849  -7.296
   64    H    LEU   9           HN       LEU   9  -2.636  10.820  -3.393
   65    HA   LEU   9           HA       LEU   9  -4.561  12.137  -1.766
   66    HB2  LEU   9          2HB       LEU   9  -2.371  11.475  -0.923
   67    HB3  LEU   9          3HB       LEU   9  -1.594  12.596  -2.039
   68    HG   LEU   9           HG       LEU   9  -3.074  14.361  -0.740
   69   HD11  LEU   9          1HD1      LEU   9  -3.954  13.739   1.207
   70   HD12  LEU   9          2HD1      LEU   9  -2.496  12.867   1.679
   71   HD13  LEU   9          3HD1      LEU   9  -3.710  12.076   0.674
   72   HD21  LEU   9          1HD2      LEU   9  -0.453  13.797  -0.858
   73   HD22  LEU   9          2HD2      LEU   9  -0.749  13.472   0.850
   74   HD23  LEU   9          3HD2      LEU   9  -1.128  15.057   0.176
   75    H    AIB  10           HN       AIB  10  -2.438  13.076  -4.456
   76   HB11  AIB  10          1HB1      AIB  10  -2.100  13.860  -6.417
   77   HB12  AIB  10          2HB1      AIB  10  -2.980  15.264  -7.158
   78   HB13  AIB  10          3HB1      AIB  10  -1.445  15.541  -6.230
   79   HB21  AIB  10          1HB2      AIB  10  -3.297  16.518  -3.362
   80   HB22  AIB  10          2HB2      AIB  10  -1.614  15.998  -3.795
   81   HB23  AIB  10          3HB2      AIB  10  -2.507  17.162  -4.863
   82    HA   PRO  11           HA       PRO  11  -6.855  15.666  -6.961
   83    HB2  PRO  11          2HB       PRO  11  -8.056  13.251  -7.278
   84    HB3  PRO  11          3HB       PRO  11  -6.867  13.890  -8.420
   85    HG2  PRO  11          2HG       PRO  11  -6.495  11.904  -6.211
   86    HG3  PRO  11          3HG       PRO  11  -5.851  11.874  -7.864
   87    HD2  PRO  11          2HD       PRO  11  -4.366  12.649  -5.736
   88    HD3  PRO  11          3HD       PRO  11  -4.140  13.333  -7.358
   89    H    DCL  12           HN       DCL  12  -6.544  13.137  -4.474
   90    HA   DCL  12           HA       DCL  12  -9.067  14.269  -3.091
   91    HC1  DCL  12          2HB1      DCL  12  -6.444  13.204  -1.817
   92    HC2  DCL  12          3HB1      DCL  12  -7.014  14.927  -1.831
   93    HB1  DCL  12          2HB       DCL  12  -7.884  11.426  -3.167
   94    HB2  DCL  12          3HB       DCL  12  -9.143  11.951  -1.970
   95    HG   DCL  12           HG       DCL  12  -9.792  12.656  -4.792
   96   HD11  DCL  12          1HD1      DCL  12 -11.378  10.828  -2.903
   97   HD12  DCL  12          2HD1      DCL  12 -11.182  12.585  -2.493
   98   HD13  DCL  12          3HD1      DCL  12 -11.984  12.099  -4.048
   99   HD21  DCL  12          1HD2      DCL  12  -8.763  10.581  -5.419
  100   HD22  DCL  12          2HD2      DCL  12  -9.406   9.728  -3.952
  101   HD23  DCL  12          3HD2      DCL  12 -10.538  10.235  -5.279
  102    HO   DCL  12          4H1       DCL  12  -8.243  14.372   0.002
  Start of MODEL   11
    1    H1   ACE   1          1H1       ACE   1   2.321   0.009   1.768
    2    H2   ACE   1          2H1       ACE   1   1.905   0.131   3.495
    3    H3   ACE   1          3H1       ACE   1   1.025  -1.006   2.445
    4    H    AIB   2           HN       AIB   2   1.859   1.769   0.788
    5   HB11  AIB   2          1HB1      AIB   2   0.491   4.822   1.922
    6   HB12  AIB   2          2HB1      AIB   2  -1.262   4.354   1.915
    7   HB13  AIB   2          3HB1      AIB   2  -0.073   3.408   2.908
    8   HB21  AIB   2          1HB2      AIB   2  -1.580   2.987  -0.681
    9   HB22  AIB   2          2HB2      AIB   2  -1.210   1.392   0.100
   10   HB23  AIB   2          3HB2      AIB   2  -2.093   2.676   1.030
   11    H    ASN   3           HN       ASN   3   1.739   2.267  -1.039
   12    HA   ASN   3           HA       ASN   3   2.779   4.756  -1.791
   13    HB2  ASN   3          2HB       ASN   3   3.335   2.124  -2.396
   14    HB3  ASN   3          3HB       ASN   3   2.760   2.759  -3.934
   15   HD21  ASN   3          1HD2      ASN   3   4.033   4.088  -5.093
   16   HD22  ASN   3          2HD2      ASN   3   5.615   4.588  -4.609
   17    H    ILE   4           HN       ILE   4  -0.190   3.243  -2.573
   18    HA   ILE   4           HA       ILE   4  -0.623   4.715  -5.022
   19    HB   ILE   4           HB       ILE   4  -2.670   3.183  -3.422
   20   HG12  ILE   4          2HG1      ILE   4  -2.009   1.534  -5.480
   21   HG13  ILE   4          3HG1      ILE   4  -0.444   2.262  -5.132
   22   HG21  ILE   4          1HG2      ILE   4  -4.097   3.739  -5.027
   23   HG22  ILE   4          2HG2      ILE   4  -2.860   4.784  -5.722
   24   HG23  ILE   4          3HG2      ILE   4  -3.007   3.113  -6.263
   25   HD11  ILE   4          1HD1      ILE   4  -1.826   1.406  -2.731
   26   HD12  ILE   4          2HD1      ILE   4  -1.545   0.087  -3.869
   27   HD13  ILE   4          3HD1      ILE   4  -0.190   1.054  -3.288
   28    H    ILE   5           HN       ILE   5  -1.188   5.161  -1.651
   29    HA   ILE   5           HA       ILE   5  -3.324   7.035  -1.860
   30    HB   ILE   5           HB       ILE   5  -1.341   6.625   0.382
   31   HG12  ILE   5          2HG1      ILE   5  -2.703   4.628  -0.163
   32   HG13  ILE   5          3HG1      ILE   5  -3.086   5.286   1.425
   33   HG21  ILE   5          1HG2      ILE   5  -3.201   7.693   1.739
   34   HG22  ILE   5          2HG2      ILE   5  -2.271   8.764   0.692
   35   HG23  ILE   5          3HG2      ILE   5  -3.876   8.226   0.200
   36   HD11  ILE   5          1HD1      ILE   5  -4.686   5.767  -1.077
   37   HD12  ILE   5          2HD1      ILE   5  -5.077   4.592   0.179
   38   HD13  ILE   5          3HD1      ILE   5  -5.085   6.316   0.550
   39    H    AIB   6           HN       AIB   6   0.215   7.195  -1.745
   40   HB11  AIB   6          1HB1      AIB   6   2.705   9.110  -1.531
   41   HB12  AIB   6          2HB1      AIB   6   2.101   7.789  -2.617
   42   HB13  AIB   6          3HB1      AIB   6   2.495   9.422  -3.305
   43   HB21  AIB   6          1HB2      AIB   6   0.900   9.740  -0.055
   44   HB22  AIB   6          2HB2      AIB   6   1.336  11.121  -1.148
   45   HB23  AIB   6          3HB2      AIB   6  -0.407  10.706  -0.860
   46    HA   PRO   7           HA       PRO   7   0.111  10.969  -6.008
   47    HB2  PRO   7          2HB       PRO   7  -0.893   9.049  -7.644
   48    HB3  PRO   7          3HB       PRO   7   0.837   9.244  -7.340
   49    HG2  PRO   7          2HG       PRO   7  -1.096   7.312  -6.117
   50    HG3  PRO   7          3HG       PRO   7   0.558   7.028  -6.691
   51    HD2  PRO   7          2HD       PRO   7  -0.037   7.361  -4.070
   52    HD3  PRO   7          3HD       PRO   7   1.506   7.887  -4.774
   53    H    LEU   8           HN       LEU   8  -2.268   8.598  -4.852
   54    HA   LEU   8           HA       LEU   8  -4.516   9.798  -6.073
   55    HB2  LEU   8          2HB       LEU   8  -4.190   7.920  -3.753
   56    HB3  LEU   8          3HB       LEU   8  -5.773   8.505  -4.260
   57    HG   LEU   8           HG       LEU   8  -3.866   6.862  -5.923
   58   HD11  LEU   8          1HD1      LEU   8  -5.555   5.117  -5.713
   59   HD12  LEU   8          2HD1      LEU   8  -6.514   6.160  -4.664
   60   HD13  LEU   8          3HD1      LEU   8  -4.931   5.591  -4.133
   61   HD21  LEU   8          1HD2      LEU   8  -6.363   8.334  -6.556
   62   HD22  LEU   8          2HD2      LEU   8  -6.147   6.737  -7.274
   63   HD23  LEU   8          3HD2      LEU   8  -4.954   8.003  -7.564
   64    H    LEU   9           HN       LEU   9  -2.615  10.757  -3.443
   65    HA   LEU   9           HA       LEU   9  -4.599  12.050  -1.868
   66    HB2  LEU   9          2HB       LEU   9  -2.420  11.424  -0.970
   67    HB3  LEU   9          3HB       LEU   9  -1.633  12.553  -2.071
   68    HG   LEU   9           HG       LEU   9  -2.759  14.420  -0.903
   69   HD11  LEU   9          1HD1      LEU   9  -3.497  13.405   1.528
   70   HD12  LEU   9          2HD1      LEU   9  -4.119  12.195   0.407
   71   HD13  LEU   9          3HD1      LEU   9  -4.601  13.883   0.239
   72   HD21  LEU   9          1HD2      LEU   9  -1.345  12.822   1.185
   73   HD22  LEU   9          2HD2      LEU   9  -1.204  14.536   0.793
   74   HD23  LEU   9          3HD2      LEU   9  -0.479  13.326  -0.267
   75    H    AIB  10           HN       AIB  10  -2.426  13.012  -4.509
   76   HB11  AIB  10          1HB1      AIB  10  -1.516  15.603  -6.343
   77   HB12  AIB  10          2HB1      AIB  10  -1.918  13.835  -6.382
   78   HB13  AIB  10          3HB1      AIB  10  -2.982  15.028  -7.243
   79   HB21  AIB  10          1HB2      AIB  10  -1.595  16.017  -3.985
   80   HB22  AIB  10          2HB2      AIB  10  -2.708  17.134  -4.883
   81   HB23  AIB  10          3HB2      AIB  10  -3.266  16.333  -3.353
   82    HA   PRO  11           HA       PRO  11  -6.820  15.525  -7.131
   83    HB2  PRO  11          2HB       PRO  11  -7.976  13.092  -7.467
   84    HB3  PRO  11          3HB       PRO  11  -6.770  13.745  -8.582
   85    HG2  PRO  11          2HG       PRO  11  -6.421  11.772  -6.358
   86    HG3  PRO  11          3HG       PRO  11  -5.737  11.746  -7.994
   87    HD2  PRO  11          2HD       PRO  11  -4.316  12.551  -5.834
   88    HD3  PRO  11          3HD       PRO  11  -4.061  13.233  -7.453
   89    H    DCL  12           HN       DCL  12  -6.594  12.937  -4.683
   90    HA   DCL  12           HA       DCL  12  -9.242  13.901  -3.440
   91    HC1  DCL  12          2HB1      DCL  12  -6.612  13.383  -1.876
   92    HC2  DCL  12          3HB1      DCL  12  -7.312  15.019  -2.230
   93    HB1  DCL  12          2HB       DCL  12  -8.077  11.299  -3.906
   94    HB2  DCL  12          3HB       DCL  12  -8.092  11.567  -2.111
   95    HG   DCL  12           HG       DCL  12 -10.176  10.479  -2.829
   96   HD11  DCL  12          1HD1      DCL  12 -10.916  13.003  -4.413
   97   HD12  DCL  12          2HD1      DCL  12  -9.936  11.697  -5.207
   98   HD13  DCL  12          3HD1      DCL  12 -11.588  11.323  -4.553
   99   HD21  DCL  12          1HD2      DCL  12 -10.808  13.430  -2.247
  100   HD22  DCL  12          2HD2      DCL  12 -11.790  11.966  -1.816
  101   HD23  DCL  12          3HD2      DCL  12 -10.197  12.265  -0.997
  102    HO   DCL  12          4H1       DCL  12  -8.656  14.662  -0.427
  Start of MODEL   12
    1    H1   ACE   1          1H1       ACE   1   2.217  -0.292   1.448
    2    H2   ACE   1          2H1       ACE   1   1.931  -0.050   3.188
    3    H3   ACE   1          3H1       ACE   1   1.009  -1.285   2.297
    4    H    AIB   2           HN       AIB   2   1.787   1.635   0.676
    5   HB11  AIB   2          1HB1      AIB   2  -1.603   3.834   1.802
    6   HB12  AIB   2          2HB1      AIB   2  -0.296   3.025   2.768
    7   HB13  AIB   2          3HB1      AIB   2   0.063   4.551   1.852
    8   HB21  AIB   2          1HB2      AIB   2  -2.221   2.219   0.725
    9   HB22  AIB   2          2HB2      AIB   2  -1.653   2.728  -0.921
   10   HB23  AIB   2          3HB2      AIB   2  -1.189   1.101  -0.263
   11    H    ASN   3           HN       ASN   3   1.745   2.246  -1.118
   12    HA   ASN   3           HA       ASN   3   2.641   4.848  -1.642
   13    HB2  ASN   3          2HB       ASN   3   3.487   2.346  -2.327
   14    HB3  ASN   3          3HB       ASN   3   2.878   2.934  -3.872
   15   HD21  ASN   3          1HD2      ASN   3   4.144   4.201  -5.045
   16   HD22  ASN   3          2HD2      ASN   3   5.603   4.948  -4.496
   17    H    ILE   4           HN       ILE   4  -0.149   3.181  -2.717
   18    HA   ILE   4           HA       ILE   4  -0.538   4.750  -5.106
   19    HB   ILE   4           HB       ILE   4  -2.553   3.013  -3.681
   20   HG12  ILE   4          2HG1      ILE   4  -1.762   1.518  -5.779
   21   HG13  ILE   4          3HG1      ILE   4  -0.253   2.358  -5.439
   22   HG21  ILE   4          1HG2      ILE   4  -3.962   3.704  -5.248
   23   HG22  ILE   4          2HG2      ILE   4  -2.706   4.714  -5.961
   24   HG23  ILE   4          3HG2      ILE   4  -2.894   3.040  -6.484
   25   HD11  ILE   4          1HD1      ILE   4  -1.562   1.251  -3.073
   26   HD12  ILE   4          2HD1      ILE   4  -1.060   0.049  -4.263
   27   HD13  ILE   4          3HD1      ILE   4   0.123   1.170  -3.589
   28    H    ILE   5           HN       ILE   5  -1.271   5.045  -1.761
   29    HA   ILE   5           HA       ILE   5  -3.530   6.753  -1.965
   30    HB   ILE   5           HB       ILE   5  -1.530   6.497   0.284
   31   HG12  ILE   5          2HG1      ILE   5  -2.696   4.388  -0.286
   32   HG13  ILE   5          3HG1      ILE   5  -3.153   4.993   1.303
   33   HG21  ILE   5          1HG2      ILE   5  -2.753   8.581   0.438
   34   HG22  ILE   5          2HG2      ILE   5  -4.281   7.727   0.231
   35   HG23  ILE   5          3HG2      ILE   5  -3.313   7.463   1.681
   36   HD11  ILE   5          1HD1      ILE   5  -5.220   5.885   0.364
   37   HD12  ILE   5          2HD1      ILE   5  -4.761   5.272  -1.225
   38   HD13  ILE   5          3HD1      ILE   5  -5.077   4.148   0.097
   39    H    AIB   6           HN       AIB   6  -0.017   7.222  -1.783
   40   HB11  AIB   6          1HB1      AIB   6   2.107   9.651  -3.261
   41   HB12  AIB   6          2HB1      AIB   6   2.275   9.354  -1.479
   42   HB13  AIB   6          3HB1      AIB   6   1.836   7.987  -2.590
   43   HB21  AIB   6          1HB2      AIB   6  -1.001  10.631  -0.912
   44   HB22  AIB   6          2HB2      AIB   6   0.414   9.850  -0.088
   45   HB23  AIB   6          3HB2      AIB   6   0.675  11.265  -1.194
   46    HA   PRO   7           HA       PRO   7  -0.306  10.955  -6.067
   47    HB2  PRO   7          2HB       PRO   7  -1.049   8.940  -7.728
   48    HB3  PRO   7          3HB       PRO   7   0.640   9.306  -7.357
   49    HG2  PRO   7          2HG       PRO   7  -1.141   7.196  -6.198
   50    HG3  PRO   7          3HG       PRO   7   0.555   7.075  -6.704
   51    HD2  PRO   7          2HD       PRO   7  -0.177   7.356  -4.112
   52    HD3  PRO   7          3HD       PRO   7   1.334   8.029  -4.756
   53    H    LEU   8           HN       LEU   8  -2.436   8.951  -4.289
   54    HA   LEU   8           HA       LEU   8  -4.787   9.654  -5.842
   55    HB2  LEU   8          2HB       LEU   8  -4.250   7.927  -3.465
   56    HB3  LEU   8          3HB       LEU   8  -5.896   8.457  -3.803
   57    HG   LEU   8           HG       LEU   8  -4.188   6.929  -5.761
   58   HD11  LEU   8          1HD1      LEU   8  -6.292   5.920  -3.853
   59   HD12  LEU   8          2HD1      LEU   8  -4.569   5.550  -3.807
   60   HD13  LEU   8          3HD1      LEU   8  -5.557   4.982  -5.153
   61   HD21  LEU   8          1HD2      LEU   8  -7.062   7.794  -5.691
   62   HD22  LEU   8          2HD2      LEU   8  -6.514   6.454  -6.699
   63   HD23  LEU   8          3HD2      LEU   8  -5.855   8.072  -6.947
   64    H    LEU   9           HN       LEU   9  -3.098  10.715  -3.011
   65    HA   LEU   9           HA       LEU   9  -5.247  12.138  -1.803
   66    HB2  LEU   9          2HB       LEU   9  -3.471  11.603  -0.381
   67    HB3  LEU   9          3HB       LEU   9  -2.264  12.202  -1.518
   68    HG   LEU   9           HG       LEU   9  -4.064  14.292  -0.580
   69   HD11  LEU   9          1HD1      LEU   9  -2.176  13.369   1.518
   70   HD12  LEU   9          2HD1      LEU   9  -3.736  12.558   1.383
   71   HD13  LEU   9          3HD1      LEU   9  -3.669  14.297   1.664
   72   HD21  LEU   9          1HD2      LEU   9  -2.130  14.960  -1.710
   73   HD22  LEU   9          2HD2      LEU   9  -1.105  13.848  -0.803
   74   HD23  LEU   9          3HD2      LEU   9  -1.770  15.278  -0.012
   75    H    AIB  10           HN       AIB  10  -2.652  12.914  -4.099
   76   HB11  AIB  10          1HB1      AIB  10  -2.711  14.851  -6.940
   77   HB12  AIB  10          2HB1      AIB  10  -1.355  15.391  -5.862
   78   HB13  AIB  10          3HB1      AIB  10  -1.842  13.643  -5.904
   79   HB21  AIB  10          1HB2      AIB  10  -3.366  16.212  -3.078
   80   HB22  AIB  10          2HB2      AIB  10  -1.672  15.947  -3.672
   81   HB23  AIB  10          3HB2      AIB  10  -2.789  17.056  -4.576
   82    HA   PRO  11           HA       PRO  11  -6.488  15.574  -7.381
   83    HB2  PRO  11          2HB       PRO  11  -7.730  13.199  -7.814
   84    HB3  PRO  11          3HB       PRO  11  -6.344  13.746  -8.765
   85    HG2  PRO  11          2HG       PRO  11  -6.426  11.833  -6.464
   86    HG3  PRO  11          3HG       PRO  11  -5.525  11.714  -7.987
   87    HD2  PRO  11          2HD       PRO  11  -4.372  12.510  -5.670
   88    HD3  PRO  11          3HD       PRO  11  -3.854  13.122  -7.254
   89    H    DCL  12           HN       DCL  12  -6.311  13.910  -4.400
   90    HA   DCL  12           HA       DCL  12  -9.311  14.123  -3.837
   91    HC1  DCL  12          2HB1      DCL  12  -7.583  15.345  -1.688
   92    HC2  DCL  12          3HB1      DCL  12  -7.674  16.305  -3.225
   93    HB1  DCL  12          2HB       DCL  12  -6.956  12.667  -2.681
   94    HB2  DCL  12          3HB       DCL  12  -8.111  13.335  -1.451
   95    HG   DCL  12           HG       DCL  12  -9.995  12.185  -2.560
   96   HD11  DCL  12          1HD1      DCL  12  -7.496  10.448  -1.989
   97   HD12  DCL  12          2HD1      DCL  12  -8.791  10.932  -0.813
   98   HD13  DCL  12          3HD1      DCL  12  -9.173   9.775  -2.159
   99   HD21  DCL  12          1HD2      DCL  12  -8.707  10.293  -4.269
  100   HD22  DCL  12          2HD2      DCL  12  -9.853  11.619  -4.738
  101   HD23  DCL  12          3HD2      DCL  12  -8.062  11.919  -4.748
  102    HO   DCL  12          4H1       DCL  12  -9.777  16.873  -2.562
  Start of MODEL   13
    1    H1   ACE   1          1H1       ACE   1   1.181  -0.945   2.408
    2    H2   ACE   1          2H1       ACE   1   2.415   0.110   1.677
    3    H3   ACE   1          3H1       ACE   1   2.019   0.267   3.406
    4    H    AIB   2           HN       AIB   2   1.904   1.902   0.752
    5   HB11  AIB   2          1HB1      AIB   2  -1.434   4.188   1.862
    6   HB12  AIB   2          2HB1      AIB   2  -0.114   3.409   2.833
    7   HB13  AIB   2          3HB1      AIB   2   0.242   4.883   1.835
    8   HB21  AIB   2          1HB2      AIB   2  -2.114   2.583   0.860
    9   HB22  AIB   2          2HB2      AIB   2  -1.534   2.891  -0.831
   10   HB23  AIB   2          3HB2      AIB   2  -1.123   1.331   0.000
   11    H    ASN   3           HN       ASN   3   1.812   2.422  -1.068
   12    HA   ASN   3           HA       ASN   3   2.710   4.986  -1.749
   13    HB2  ASN   3          2HB       ASN   3   3.121   2.263  -2.692
   14    HB3  ASN   3          3HB       ASN   3   3.154   3.429  -4.012
   15   HD21  ASN   3          1HD2      ASN   3   5.230   3.666  -4.480
   16   HD22  ASN   3          2HD2      ASN   3   6.473   4.072  -3.350
   17    H    ILE   4           HN       ILE   4  -0.124   3.293  -2.655
   18    HA   ILE   4           HA       ILE   4  -0.574   4.749  -5.104
   19    HB   ILE   4           HB       ILE   4  -2.556   3.096  -3.540
   20   HG12  ILE   4          2HG1      ILE   4  -1.836   1.496  -5.585
   21   HG13  ILE   4          3HG1      ILE   4  -0.313   2.341  -5.329
   22   HG21  ILE   4          1HG2      ILE   4  -4.003   3.749  -5.090
   23   HG22  ILE   4          2HG2      ILE   4  -2.749   4.674  -5.914
   24   HG23  ILE   4          3HG2      ILE   4  -2.999   2.976  -6.317
   25   HD11  ILE   4          1HD1      ILE   4   0.143   1.078  -3.574
   26   HD12  ILE   4          2HD1      ILE   4  -1.399   1.485  -2.819
   27   HD13  ILE   4          3HD1      ILE   4  -1.296   0.128  -3.941
   28    H    ILE   5           HN       ILE   5  -1.206   5.206  -1.756
   29    HA   ILE   5           HA       ILE   5  -3.459   6.924  -1.980
   30    HB   ILE   5           HB       ILE   5  -1.407   6.744   0.230
   31   HG12  ILE   5          2HG1      ILE   5  -2.607   4.625  -0.221
   32   HG13  ILE   5          3HG1      ILE   5  -3.018   5.302   1.351
   33   HG21  ILE   5          1HG2      ILE   5  -2.401   8.563   1.038
   34   HG22  ILE   5          2HG2      ILE   5  -3.662   8.504  -0.192
   35   HG23  ILE   5          3HG2      ILE   5  -3.833   7.566   1.291
   36   HD11  ILE   5          1HD1      ILE   5  -4.831   6.239  -0.679
   37   HD12  ILE   5          2HD1      ILE   5  -4.771   4.476  -0.633
   38   HD13  ILE   5          3HD1      ILE   5  -5.165   5.384   0.827
   39    H    AIB   6           HN       AIB   6   0.064   7.367  -1.885
   40   HB11  AIB   6          1HB1      AIB   6   2.389   9.509  -1.755
   41   HB12  AIB   6          2HB1      AIB   6   1.905   8.073  -2.752
   42   HB13  AIB   6          3HB1      AIB   6   2.161   9.685  -3.546
   43   HB21  AIB   6          1HB2      AIB   6   1.023  11.266  -1.333
   44   HB22  AIB   6          2HB2      AIB   6  -0.777  11.039  -1.320
   45   HB23  AIB   6          3HB2      AIB   6   0.279   9.982  -0.290
   46    HA   PRO   7           HA       PRO   7  -0.310  10.925  -6.318
   47    HB2  PRO   7          2HB       PRO   7  -1.127   8.854  -7.873
   48    HB3  PRO   7          3HB       PRO   7   0.577   9.211  -7.565
   49    HG2  PRO   7          2HG       PRO   7  -1.196   7.176  -6.270
   50    HG3  PRO   7          3HG       PRO   7   0.482   7.011  -6.819
   51    HD2  PRO   7          2HD       PRO   7  -0.169   7.406  -4.220
   52    HD3  PRO   7          3HD       PRO   7   1.331   8.032  -4.935
   53    H    LEU   8           HN       LEU   8  -2.410   9.036  -4.390
   54    HA   LEU   8           HA       LEU   8  -4.798   9.693  -5.904
   55    HB2  LEU   8          2HB       LEU   8  -4.208   8.081  -3.462
   56    HB3  LEU   8          3HB       LEU   8  -5.857   8.619  -3.769
   57    HG   LEU   8           HG       LEU   8  -4.234   6.957  -5.692
   58   HD11  LEU   8          1HD1      LEU   8  -5.900   5.166  -4.930
   59   HD12  LEU   8          2HD1      LEU   8  -6.136   6.183  -3.509
   60   HD13  LEU   8          3HD1      LEU   8  -4.538   5.533  -3.872
   61   HD21  LEU   8          1HD2      LEU   8  -7.154   7.703  -5.588
   62   HD22  LEU   8          2HD2      LEU   8  -6.446   6.541  -6.710
   63   HD23  LEU   8          3HD2      LEU   8  -5.968   8.238  -6.778
   64    H    LEU   9           HN       LEU   9  -3.030  10.847  -3.150
   65    HA   LEU   9           HA       LEU   9  -5.126  12.377  -1.983
   66    HB2  LEU   9          2HB       LEU   9  -2.134  12.442  -1.748
   67    HB3  LEU   9          3HB       LEU   9  -3.158  13.604  -0.908
   68    HG   LEU   9           HG       LEU   9  -3.279  10.612  -0.534
   69   HD11  LEU   9          1HD1      LEU   9  -2.453  11.804   1.825
   70   HD12  LEU   9          2HD1      LEU   9  -1.517  12.624   0.575
   71   HD13  LEU   9          3HD1      LEU   9  -1.455  10.867   0.712
   72   HD21  LEU   9          1HD2      LEU   9  -5.097  10.930   0.710
   73   HD22  LEU   9          2HD2      LEU   9  -5.187  12.545   0.009
   74   HD23  LEU   9          3HD2      LEU   9  -4.372  12.298   1.554
   75    H    AIB  10           HN       AIB  10  -2.554  12.977  -4.353
   76   HB11  AIB  10          1HB1      AIB  10  -2.579  14.911  -7.278
   77   HB12  AIB  10          2HB1      AIB  10  -1.168  15.233  -6.183
   78   HB13  AIB  10          3HB1      AIB  10  -1.874  13.564  -6.289
   79   HB21  AIB  10          1HB2      AIB  10  -3.348  16.641  -3.790
   80   HB22  AIB  10          2HB2      AIB  10  -1.721  15.845  -3.696
   81   HB23  AIB  10          3HB2      AIB  10  -2.119  16.936  -5.091
   82    HA   PRO  11           HA       PRO  11  -6.385  15.618  -7.666
   83    HB2  PRO  11          2HB       PRO  11  -7.705  13.266  -7.979
   84    HB3  PRO  11          3HB       PRO  11  -6.326  13.734  -8.981
   85    HG2  PRO  11          2HG       PRO  11  -6.411  11.914  -6.606
   86    HG3  PRO  11          3HG       PRO  11  -5.549  11.710  -8.142
   87    HD2  PRO  11          2HD       PRO  11  -4.320  12.559  -5.884
   88    HD3  PRO  11          3HD       PRO  11  -3.821  13.094  -7.501
   89    H    DCL  12           HN       DCL  12  -6.193  14.048  -4.632
   90    HA   DCL  12           HA       DCL  12  -9.171  14.475  -4.015
   91    HC1  DCL  12          2HB1      DCL  12  -7.476  15.449  -1.790
   92    HC2  DCL  12          3HB1      DCL  12  -7.142  16.380  -3.312
   93    HB1  DCL  12          2HB       DCL  12  -6.896  12.860  -2.822
   94    HB2  DCL  12          3HB       DCL  12  -8.166  13.484  -1.686
   95    HG   DCL  12           HG       DCL  12  -8.842  11.960  -4.262
   96   HD11  DCL  12          1HD1      DCL  12 -10.513  13.469  -2.865
   97   HD12  DCL  12          2HD1      DCL  12 -11.031  11.779  -3.277
   98   HD13  DCL  12          3HD1      DCL  12 -10.408  12.158  -1.615
   99   HD21  DCL  12          1HD2      DCL  12  -9.348  10.094  -2.379
  100   HD22  DCL  12          2HD2      DCL  12  -7.736  10.224  -3.202
  101   HD23  DCL  12          3HD2      DCL  12  -7.971  10.933  -1.547
  102    HO   DCL  12          4H1       DCL  12  -9.157  17.378  -2.959
  Start of MODEL   14
    1    H1   ACE   1          1H1       ACE   1   0.422   0.166   0.082
    2    H2   ACE   1          2H1       ACE   1   2.152   0.583   0.040
    3    H3   ACE   1          3H1       ACE   1   1.278   0.567   1.590
    4    H    AIB   2           HN       AIB   2   2.148   2.654   1.898
    5   HB11  AIB   2          1HB1      AIB   2   2.676   4.479   2.788
    6   HB12  AIB   2          2HB1      AIB   2   2.654   6.042   1.869
    7   HB13  AIB   2          3HB1      AIB   2   1.312   5.650   3.026
    8   HB21  AIB   2          1HB2      AIB   2  -0.381   5.853   1.759
    9   HB22  AIB   2          2HB2      AIB   2  -0.749   4.784   0.340
   10   HB23  AIB   2          3HB2      AIB   2  -0.691   4.084   2.014
   11    H    ASN   3           HN       ASN   3   2.634   3.427  -0.744
   12    HA   ASN   3           HA       ASN   3   3.223   5.876  -2.138
   13    HB2  ASN   3          2HB       ASN   3   4.104   3.084  -2.244
   14    HB3  ASN   3          3HB       ASN   3   3.969   3.833  -3.832
   15   HD21  ASN   3          1HD2      ASN   3   6.224   3.031  -1.900
   16   HD22  ASN   3          2HD2      ASN   3   7.272   4.405  -1.930
   17    H    ILE   4           HN       ILE   4   0.750   3.518  -2.232
   18    HA   ILE   4           HA       ILE   4  -0.017   4.095  -4.975
   19    HB   ILE   4           HB       ILE   4  -1.374   2.373  -2.897
   20   HG12  ILE   4          2HG1      ILE   4   0.337   1.617  -5.276
   21   HG13  ILE   4          3HG1      ILE   4   0.844   1.542  -3.592
   22   HG21  ILE   4          1HG2      ILE   4  -3.127   2.337  -4.256
   23   HG22  ILE   4          2HG2      ILE   4  -2.294   3.377  -5.410
   24   HG23  ILE   4          3HG2      ILE   4  -2.110   1.626  -5.509
   25   HD11  ILE   4          1HD1      ILE   4  -1.558   0.083  -3.803
   26   HD12  ILE   4          2HD1      ILE   4  -0.517  -0.412  -5.138
   27   HD13  ILE   4          3HD1      ILE   4   0.067  -0.519  -3.478
   28    H    ILE   5           HN       ILE   5  -1.039   4.853  -1.704
   29    HA   ILE   5           HA       ILE   5  -3.507   6.078  -2.443
   30    HB   ILE   5           HB       ILE   5  -1.871   6.416   0.073
   31   HG12  ILE   5          2HG1      ILE   5  -4.234   4.629  -0.546
   32   HG13  ILE   5          3HG1      ILE   5  -2.573   4.099  -0.304
   33   HG21  ILE   5          1HG2      ILE   5  -3.958   7.234   1.072
   34   HG22  ILE   5          2HG2      ILE   5  -3.406   8.270  -0.243
   35   HG23  ILE   5          3HG2      ILE   5  -4.738   7.146  -0.506
   36   HD11  ILE   5          1HD1      ILE   5  -4.563   5.065   1.687
   37   HD12  ILE   5          2HD1      ILE   5  -3.510   3.651   1.736
   38   HD13  ILE   5          3HD1      ILE   5  -2.840   5.259   2.011
   39    H    AIB   6           HN       AIB   6  -0.170   7.137  -1.938
   40   HB11  AIB   6          1HB1      AIB   6   1.790   9.815  -1.916
   41   HB12  AIB   6          2HB1      AIB   6   1.625   8.102  -2.490
   42   HB13  AIB   6          3HB1      AIB   6   1.651   9.463  -3.690
   43   HB21  AIB   6          1HB2      AIB   6  -1.633  10.154  -1.208
   44   HB22  AIB   6          2HB2      AIB   6   0.074  10.107  -0.596
   45   HB23  AIB   6          3HB2      AIB   6  -0.402  11.310  -1.869
   46    HA   PRO   7           HA       PRO   7  -0.730  10.426  -6.584
   47    HB2  PRO   7          2HB       PRO   7  -1.104   8.201  -8.095
   48    HB3  PRO   7          3HB       PRO   7   0.498   8.825  -7.683
   49    HG2  PRO   7          2HG       PRO   7  -1.046   6.590  -6.425
   50    HG3  PRO   7          3HG       PRO   7   0.676   6.664  -6.844
   51    HD2  PRO   7          2HD       PRO   7  -0.228   7.047  -4.320
   52    HD3  PRO   7          3HD       PRO   7   1.213   7.869  -4.954
   53    H    LEU   8           HN       LEU   8  -2.666   8.293  -4.735
   54    HA   LEU   8           HA       LEU   8  -4.994   8.467  -6.441
   55    HB2  LEU   8          2HB       LEU   8  -4.425   7.250  -3.765
   56    HB3  LEU   8          3HB       LEU   8  -6.080   7.414  -4.346
   57    HG   LEU   8           HG       LEU   8  -3.939   5.934  -5.862
   58   HD11  LEU   8          1HD1      LEU   8  -5.901   4.932  -3.814
   59   HD12  LEU   8          2HD1      LEU   8  -4.146   4.767  -3.810
   60   HD13  LEU   8          3HD1      LEU   8  -5.111   3.888  -4.995
   61   HD21  LEU   8          1HD2      LEU   8  -6.704   5.140  -6.211
   62   HD22  LEU   8          2HD2      LEU   8  -5.494   5.582  -7.416
   63   HD23  LEU   8          3HD2      LEU   8  -6.445   6.837  -6.619
   64    H    LEU   9           HN       LEU   9  -3.774   9.986  -3.521
   65    HA   LEU   9           HA       LEU   9  -6.153  11.719  -3.466
   66    HB2  LEU   9          2HB       LEU   9  -4.184  11.517  -1.223
   67    HB3  LEU   9          3HB       LEU   9  -5.874  12.015  -1.177
   68    HG   LEU   9           HG       LEU   9  -4.808   9.209  -1.453
   69   HD11  LEU   9          1HD1      LEU   9  -4.774  10.226   0.809
   70   HD12  LEU   9          2HD1      LEU   9  -5.847   8.833   0.677
   71   HD13  LEU   9          3HD1      LEU   9  -6.517  10.464   0.688
   72   HD21  LEU   9          1HD2      LEU   9  -7.362  10.357  -2.234
   73   HD22  LEU   9          2HD2      LEU   9  -7.532   9.058  -1.053
   74   HD23  LEU   9          3HD2      LEU   9  -6.685   8.764  -2.573
   75    H    AIB  10           HN       AIB  10  -3.654  11.824  -5.165
   76   HB11  AIB  10          1HB1      AIB  10  -2.260  14.415  -7.082
   77   HB12  AIB  10          2HB1      AIB  10  -1.056  13.277  -6.342
   78   HB13  AIB  10          3HB1      AIB  10  -2.682  12.663  -6.868
   79   HB21  AIB  10          1HB2      AIB  10  -1.933  13.938  -3.011
   80   HB22  AIB  10          2HB2      AIB  10  -0.790  13.207  -4.216
   81   HB23  AIB  10          3HB2      AIB  10  -1.073  15.000  -4.204
   82    HA   PRO  11           HA       PRO  11  -4.784  17.274  -6.249
   83    HB2  PRO  11          2HB       PRO  11  -7.291  16.557  -7.005
   84    HB3  PRO  11          3HB       PRO  11  -5.904  16.497  -8.099
   85    HG2  PRO  11          2HG       PRO  11  -7.193  14.283  -6.551
   86    HG3  PRO  11          3HG       PRO  11  -6.619  14.288  -8.229
   87    HD2  PRO  11          2HD       PRO  11  -5.191  13.196  -6.204
   88    HD3  PRO  11          3HD       PRO  11  -4.423  13.959  -7.611
   89    H    DCL  12           HN       DCL  12  -6.314  14.651  -4.437
   90    HA   DCL  12           HA       DCL  12  -8.119  16.511  -2.872
   91    HC1  DCL  12          2HB1      DCL  12  -5.710  15.119  -1.497
   92    HC2  DCL  12          3HB1      DCL  12  -5.881  16.904  -1.774
   93    HB1  DCL  12          2HB       DCL  12  -7.928  13.668  -3.381
   94    HB2  DCL  12          3HB       DCL  12  -7.775  13.917  -1.590
   95    HG   DCL  12           HG       DCL  12 -10.133  13.603  -2.211
   96   HD11  DCL  12          1HD1      DCL  12  -9.634  14.643  -4.609
   97   HD12  DCL  12          2HD1      DCL  12 -11.259  14.937  -3.855
   98   HD13  DCL  12          3HD1      DCL  12  -9.987  16.232  -3.806
   99   HD21  DCL  12          1HD2      DCL  12  -9.715  16.592  -1.634
  100   HD22  DCL  12          2HD2      DCL  12 -11.099  15.531  -1.133
  101   HD23  DCL  12          3HD2      DCL  12  -9.456  15.288  -0.399
  102    HO   DCL  12          4H1       DCL  12  -7.141  16.921   0.121
  Start of MODEL   15
    1    H1   ACE   1          1H1       ACE   1   2.024   0.375   0.132
    2    H2   ACE   1          2H1       ACE   1   0.756   0.242   1.374
    3    H3   ACE   1          3H1       ACE   1   0.347   0.016  -0.344
    4    H    AIB   2           HN       AIB   2   2.037   2.328   1.782
    5   HB11  AIB   2          1HB1      AIB   2   1.387   5.445   2.955
    6   HB12  AIB   2          2HB1      AIB   2   2.562   4.070   2.820
    7   HB13  AIB   2          3HB1      AIB   2   2.818   5.582   1.849
    8   HB21  AIB   2          1HB2      AIB   2  -0.322   5.659   1.792
    9   HB22  AIB   2          2HB2      AIB   2  -0.764   4.659   0.344
   10   HB23  AIB   2          3HB2      AIB   2  -0.720   3.900   1.992
   11    H    ASN   3           HN       ASN   3   2.532   3.171  -0.837
   12    HA   ASN   3           HA       ASN   3   3.230   5.636  -2.150
   13    HB2  ASN   3          2HB       ASN   3   3.691   2.729  -2.812
   14    HB3  ASN   3          3HB       ASN   3   4.177   4.029  -3.897
   15   HD21  ASN   3          1HD2      ASN   3   5.687   2.005  -2.288
   16   HD22  ASN   3          2HD2      ASN   3   6.845   2.930  -1.402
   17    H    ILE   4           HN       ILE   4   0.638   3.411  -2.295
   18    HA   ILE   4           HA       ILE   4  -0.132   4.128  -5.004
   19    HB   ILE   4           HB       ILE   4  -1.553   2.405  -2.971
   20   HG12  ILE   4          2HG1      ILE   4   0.098   1.649  -5.392
   21   HG13  ILE   4          3HG1      ILE   4   0.607   1.480  -3.715
   22   HG21  ILE   4          1HG2      ILE   4  -3.318   2.490  -4.311
   23   HG22  ILE   4          2HG2      ILE   4  -2.454   3.550  -5.423
   24   HG23  ILE   4          3HG2      ILE   4  -2.345   1.799  -5.609
   25   HD11  ILE   4          1HD1      ILE   4  -1.613   0.060  -3.564
   26   HD12  ILE   4          2HD1      ILE   4  -1.308  -0.135  -5.291
   27   HD13  ILE   4          3HD1      ILE   4  -0.091  -0.638  -4.119
   28    H    ILE   5           HN       ILE   5  -1.086   4.805  -1.693
   29    HA   ILE   5           HA       ILE   5  -3.491   6.185  -2.354
   30    HB   ILE   5           HB       ILE   5  -1.809   6.351   0.150
   31   HG12  ILE   5          2HG1      ILE   5  -2.641   4.085  -0.318
   32   HG13  ILE   5          3HG1      ILE   5  -3.438   4.778   1.090
   33   HG21  ILE   5          1HG2      ILE   5  -3.134   8.041   0.724
   34   HG22  ILE   5          2HG2      ILE   5  -4.134   7.821  -0.711
   35   HG23  ILE   5          3HG2      ILE   5  -4.475   6.896   0.751
   36   HD11  ILE   5          1HD1      ILE   5  -5.038   3.607  -0.269
   37   HD12  ILE   5          2HD1      ILE   5  -5.373   5.338  -0.324
   38   HD13  ILE   5          3HD1      ILE   5  -4.576   4.550  -1.685
   39    H    AIB   6           HN       AIB   6  -0.098   7.053  -1.864
   40   HB11  AIB   6          1HB1      AIB   6   1.829   9.429  -3.525
   41   HB12  AIB   6          2HB1      AIB   6   1.994   9.550  -1.722
   42   HB13  AIB   6          3HB1      AIB   6   1.727   7.933  -2.503
   43   HB21  AIB   6          1HB2      AIB   6   0.109   9.806  -0.344
   44   HB22  AIB   6          2HB2      AIB   6   0.131  11.178  -1.531
   45   HB23  AIB   6          3HB2      AIB   6  -1.422  10.307  -1.178
   46    HA   PRO   7           HA       PRO   7  -0.553  10.543  -6.375
   47    HB2  PRO   7          2HB       PRO   7  -1.051   8.399  -7.965
   48    HB3  PRO   7          3HB       PRO   7   0.584   8.931  -7.553
   49    HG2  PRO   7          2HG       PRO   7  -1.047   6.722  -6.360
   50    HG3  PRO   7          3HG       PRO   7   0.671   6.733  -6.800
   51    HD2  PRO   7          2HD       PRO   7  -0.181   7.058  -4.251
   52    HD3  PRO   7          3HD       PRO   7   1.288   7.837  -4.873
   53    H    LEU   8           HN       LEU   8  -2.549   8.055  -4.915
   54    HA   LEU   8           HA       LEU   8  -4.878   8.545  -6.473
   55    HB2  LEU   8          2HB       LEU   8  -4.382   7.180  -3.847
   56    HB3  LEU   8          3HB       LEU   8  -6.010   7.378  -4.492
   57    HG   LEU   8           HG       LEU   8  -3.826   5.983  -6.020
   58   HD11  LEU   8          1HD1      LEU   8  -4.663   3.883  -5.208
   59   HD12  LEU   8          2HD1      LEU   8  -5.897   4.698  -4.248
   60   HD13  LEU   8          3HD1      LEU   8  -4.193   4.881  -3.831
   61   HD21  LEU   8          1HD2      LEU   8  -5.357   5.841  -7.616
   62   HD22  LEU   8          2HD2      LEU   8  -6.462   6.802  -6.633
   63   HD23  LEU   8          3HD2      LEU   8  -6.469   5.042  -6.505
   64    H    LEU   9           HN       LEU   9  -3.481  10.040  -3.678
   65    HA   LEU   9           HA       LEU   9  -5.902  11.678  -3.326
   66    HB2  LEU   9          2HB       LEU   9  -5.121  10.374  -1.358
   67    HB3  LEU   9          3HB       LEU   9  -3.619  11.294  -1.397
   68    HG   LEU   9           HG       LEU   9  -5.764  13.149  -1.305
   69   HD11  LEU   9          1HD1      LEU   9  -7.060  11.191  -0.440
   70   HD12  LEU   9          2HD1      LEU   9  -6.936  12.549   0.677
   71   HD13  LEU   9          3HD1      LEU   9  -5.930  11.120   0.913
   72   HD21  LEU   9          1HD2      LEU   9  -3.783  13.857  -0.384
   73   HD22  LEU   9          2HD2      LEU   9  -3.480  12.318   0.423
   74   HD23  LEU   9          3HD2      LEU   9  -4.689  13.429   1.068
   75    H    AIB  10           HN       AIB  10  -3.644  11.869  -5.329
   76   HB11  AIB  10          1HB1      AIB  10  -2.804  12.661  -7.101
   77   HB12  AIB  10          2HB1      AIB  10  -2.569  14.430  -7.429
   78   HB13  AIB  10          3HB1      AIB  10  -1.202  13.441  -6.759
   79   HB21  AIB  10          1HB2      AIB  10  -0.931  13.265  -4.367
   80   HB22  AIB  10          2HB2      AIB  10  -0.930  14.996  -4.910
   81   HB23  AIB  10          3HB2      AIB  10  -1.876  14.505  -3.441
   82    HA   PRO  11           HA       PRO  11  -5.145  17.187  -6.463
   83    HB2  PRO  11          2HB       PRO  11  -7.661  16.303  -6.974
   84    HB3  PRO  11          3HB       PRO  11  -6.371  16.281  -8.182
   85    HG2  PRO  11          2HG       PRO  11  -7.389  14.056  -6.459
   86    HG3  PRO  11          3HG       PRO  11  -6.961  14.032  -8.179
   87    HD2  PRO  11          2HD       PRO  11  -5.304  13.097  -6.253
   88    HD3  PRO  11          3HD       PRO  11  -4.705  13.850  -7.745
   89    H    DCL  12           HN       DCL  12  -6.653  14.544  -4.599
   90    HA   DCL  12           HA       DCL  12  -8.351  16.335  -2.916
   91    HC1  DCL  12          2HB1      DCL  12  -5.681  15.283  -1.734
   92    HC2  DCL  12          3HB1      DCL  12  -6.174  17.018  -1.939
   93    HB1  DCL  12          2HB       DCL  12  -7.826  13.458  -3.226
   94    HB2  DCL  12          3HB       DCL  12  -7.809  13.919  -1.471
   95    HG   DCL  12           HG       DCL  12 -10.022  15.128  -3.092
   96   HD11  DCL  12          1HD1      DCL  12 -10.184  13.401  -0.549
   97   HD12  DCL  12          2HD1      DCL  12  -9.517  15.088  -0.482
   98   HD13  DCL  12          3HD1      DCL  12 -11.223  14.806  -1.039
   99   HD21  DCL  12          1HD2      DCL  12 -11.317  12.834  -2.684
  100   HD22  DCL  12          2HD2      DCL  12 -10.340  13.092  -4.191
  101   HD23  DCL  12          3HD2      DCL  12  -9.655  12.118  -2.820
  102    HO   DCL  12          4H1       DCL  12  -7.230  16.793   0.065
  Start of MODEL   16
    1    H1   ACE   1          1H1       ACE   1  -1.417   0.573   0.305
    2    H2   ACE   1          2H1       ACE   1   0.043  -0.246   0.909
    3    H3   ACE   1          3H1       ACE   1  -1.356  -0.014   1.984
    4    H    AIB   2           HN       AIB   2   0.306   2.079  -0.361
    5   HB11  AIB   2          1HB1      AIB   2   2.703   2.806   1.584
    6   HB12  AIB   2          2HB1      AIB   2   2.688   4.597   1.875
    7   HB13  AIB   2          3HB1      AIB   2   1.654   3.503   2.890
    8   HB21  AIB   2          1HB2      AIB   2  -1.072   4.675   0.862
    9   HB22  AIB   2          2HB2      AIB   2  -0.343   4.472   2.510
   10   HB23  AIB   2          3HB2      AIB   2   0.230   5.807   1.422
   11    H    ASN   3           HN       ASN   3   1.869   2.658  -1.260
   12    HA   ASN   3           HA       ASN   3   3.027   5.041  -2.385
   13    HB2  ASN   3          2HB       ASN   3   2.825   2.186  -3.337
   14    HB3  ASN   3          3HB       ASN   3   3.538   3.459  -4.324
   15   HD21  ASN   3          1HD2      ASN   3   4.836   1.119  -3.341
   16   HD22  ASN   3          2HD2      ASN   3   6.123   1.639  -2.312
   17    H    ILE   4           HN       ILE   4   0.014   3.437  -2.569
   18    HA   ILE   4           HA       ILE   4  -0.693   4.591  -5.144
   19    HB   ILE   4           HB       ILE   4  -2.357   2.953  -3.229
   20   HG12  ILE   4          2HG1      ILE   4  -0.971   2.176  -5.804
   21   HG13  ILE   4          3HG1      ILE   4  -0.456   1.713  -4.186
   22   HG21  ILE   4          1HG2      ILE   4  -3.337   2.830  -5.874
   23   HG22  ILE   4          2HG2      ILE   4  -4.115   3.524  -4.453
   24   HG23  ILE   4          3HG2      ILE   4  -3.099   4.533  -5.482
   25   HD11  ILE   4          1HD1      ILE   4  -2.721   0.716  -5.818
   26   HD12  ILE   4          2HD1      ILE   4  -1.580  -0.162  -4.799
   27   HD13  ILE   4          3HD1      ILE   4  -2.902   0.745  -4.064
   28    H    ILE   5           HN       ILE   5  -1.367   5.043  -1.727
   29    HA   ILE   5           HA       ILE   5  -3.466   6.938  -2.090
   30    HB   ILE   5           HB       ILE   5  -1.702   6.487   0.320
   31   HG12  ILE   5          2HG1      ILE   5  -4.435   5.386  -0.372
   32   HG13  ILE   5          3HG1      ILE   5  -2.932   4.470  -0.335
   33   HG21  ILE   5          1HG2      ILE   5  -4.304   7.439   0.966
   34   HG22  ILE   5          2HG2      ILE   5  -2.742   8.193   1.280
   35   HG23  ILE   5          3HG2      ILE   5  -3.590   8.519  -0.231
   36   HD11  ILE   5          1HD1      ILE   5  -3.288   4.012   1.793
   37   HD12  ILE   5          2HD1      ILE   5  -3.213   5.733   2.174
   38   HD13  ILE   5          3HD1      ILE   5  -4.759   4.985   1.771
   39    H    AIB   6           HN       AIB   6   0.047   7.050  -1.720
   40   HB11  AIB   6          1HB1      AIB   6   2.325   9.061  -3.249
   41   HB12  AIB   6          2HB1      AIB   6   2.625   9.173  -1.463
   42   HB13  AIB   6          3HB1      AIB   6   2.016   7.624  -2.186
   43   HB21  AIB   6          1HB2      AIB   6   0.747   9.497   0.106
   44   HB22  AIB   6          2HB2      AIB   6   1.174  10.941  -0.906
   45   HB23  AIB   6          3HB2      AIB   6  -0.566  10.480  -0.668
   46    HA   PRO   7           HA       PRO   7   0.196  11.049  -5.793
   47    HB2  PRO   7          2HB       PRO   7  -0.756   9.237  -7.576
   48    HB3  PRO   7          3HB       PRO   7   0.961   9.388  -7.184
   49    HG2  PRO   7          2HG       PRO   7  -1.051   7.422  -6.159
   50    HG3  PRO   7          3HG       PRO   7   0.624   7.145  -6.672
   51    HD2  PRO   7          2HD       PRO   7  -0.087   7.342  -4.067
   52    HD3  PRO   7          3HD       PRO   7   1.493   7.883  -4.669
   53    H    LEU   8           HN       LEU   8  -2.264   8.653  -4.882
   54    HA   LEU   8           HA       LEU   8  -4.439   9.939  -6.137
   55    HB2  LEU   8          2HB       LEU   8  -4.285   7.998  -3.845
   56    HB3  LEU   8          3HB       LEU   8  -5.812   8.579  -4.506
   57    HG   LEU   8           HG       LEU   8  -3.732   7.041  -6.060
   58   HD11  LEU   8          1HD1      LEU   8  -5.227   5.153  -5.899
   59   HD12  LEU   8          2HD1      LEU   8  -6.371   6.100  -4.949
   60   HD13  LEU   8          3HD1      LEU   8  -4.789   5.701  -4.281
   61   HD21  LEU   8          1HD2      LEU   8  -5.751   6.764  -7.606
   62   HD22  LEU   8          2HD2      LEU   8  -4.933   8.327  -7.602
   63   HD23  LEU   8          3HD2      LEU   8  -6.451   8.124  -6.726
   64    H    LEU   9           HN       LEU   9  -2.650  10.752  -3.379
   65    HA   LEU   9           HA       LEU   9  -4.688  12.010  -1.846
   66    HB2  LEU   9          2HB       LEU   9  -2.560  11.305  -0.878
   67    HB3  LEU   9          3HB       LEU   9  -1.709  12.477  -1.882
   68    HG   LEU   9           HG       LEU   9  -2.133  13.027   0.602
   69   HD11  LEU   9          1HD1      LEU   9  -1.504  14.544  -1.463
   70   HD12  LEU   9          2HD1      LEU   9  -1.876  15.239   0.114
   71   HD13  LEU   9          3HD1      LEU   9  -3.103  15.219  -1.152
   72   HD21  LEU   9          1HD2      LEU   9  -4.744  14.094  -0.367
   73   HD22  LEU   9          2HD2      LEU   9  -4.206  13.752   1.278
   74   HD23  LEU   9          3HD2      LEU   9  -4.649  12.426   0.201
   75    H    AIB  10           HN       AIB  10  -2.381  13.044  -4.341
   76   HB11  AIB  10          1HB1      AIB  10  -2.757  15.271  -6.997
   77   HB12  AIB  10          2HB1      AIB  10  -1.296  15.623  -5.981
   78   HB13  AIB  10          3HB1      AIB  10  -1.855  13.911  -6.206
   79   HB21  AIB  10          1HB2      AIB  10  -1.546  15.969  -3.591
   80   HB22  AIB  10          2HB2      AIB  10  -2.494  17.166  -4.571
   81   HB23  AIB  10          3HB2      AIB  10  -3.249  16.380  -3.119
   82    HA   PRO  11           HA       PRO  11  -6.611  15.760  -7.032
   83    HB2  PRO  11          2HB       PRO  11  -7.797  13.369  -7.525
   84    HB3  PRO  11          3HB       PRO  11  -6.533  14.045  -8.559
   85    HG2  PRO  11          2HG       PRO  11  -6.317  11.969  -6.412
   86    HG3  PRO  11          3HG       PRO  11  -5.565  12.001  -8.018
   87    HD2  PRO  11          2HD       PRO  11  -4.222  12.680  -5.767
   88    HD3  PRO  11          3HD       PRO  11  -3.885  13.427  -7.342
   89    H    DCL  12           HN       DCL  12  -6.542  13.059  -4.699
   90    HA   DCL  12           HA       DCL  12  -9.125  14.177  -3.421
   91    HC1  DCL  12          2HB1      DCL  12  -6.667  12.963  -1.966
   92    HC2  DCL  12          3HB1      DCL  12  -7.075  14.730  -2.038
   93    HB1  DCL  12          2HB       DCL  12  -8.745  11.642  -4.433
   94    HB2  DCL  12          3HB       DCL  12  -8.178  11.399  -2.726
   95    HG   DCL  12           HG       DCL  12 -10.572  12.952  -2.555
   96   HD11  DCL  12          1HD1      DCL  12 -11.390  10.468  -1.801
   97   HD12  DCL  12          2HD1      DCL  12  -9.618  10.109  -1.967
   98   HD13  DCL  12          3HD1      DCL  12 -10.181  11.401  -0.821
   99   HD21  DCL  12          1HD2      DCL  12 -10.639  10.920  -4.793
  100   HD22  DCL  12          2HD2      DCL  12 -12.047  10.950  -3.649
  101   HD23  DCL  12          3HD2      DCL  12 -11.588  12.449  -4.565
  102    HO   DCL  12          4H1       DCL  12  -8.506  14.310  -0.318
  Start of MODEL   17
    1    H1   ACE   1          1H1       ACE   1  -3.810   1.382   1.445
    2    H2   ACE   1          2H1       ACE   1  -3.351   2.242  -0.044
    3    H3   ACE   1          3H1       ACE   1  -2.904   0.532   0.171
    4    H    AIB   2           HN       AIB   2  -1.307   2.897  -0.444
    5   HB11  AIB   2          1HB1      AIB   2   0.963   1.107   0.736
    6   HB12  AIB   2          2HB1      AIB   2   2.316   2.242   1.152
    7   HB13  AIB   2          3HB1      AIB   2   1.131   1.735   2.430
    8   HB21  AIB   2          1HB2      AIB   2   1.107   4.575   2.485
    9   HB22  AIB   2          2HB2      AIB   2  -0.643   4.784   2.055
   10   HB23  AIB   2          3HB2      AIB   2  -0.125   3.397   3.104
   11    H    ASN   3           HN       ASN   3   1.830   2.420  -1.019
   12    HA   ASN   3           HA       ASN   3   2.923   4.992  -1.609
   13    HB2  ASN   3          2HB       ASN   3   3.139   2.253  -2.744
   14    HB3  ASN   3          3HB       ASN   3   3.538   3.594  -3.814
   15   HD21  ASN   3          1HD2      ASN   3   5.531   4.343  -3.738
   16   HD22  ASN   3          2HD2      ASN   3   6.667   4.072  -2.465
   17    H    ILE   4           HN       ILE   4   0.140   3.215  -2.644
   18    HA   ILE   4           HA       ILE   4  -0.294   4.714  -5.055
   19    HB   ILE   4           HB       ILE   4  -2.232   2.982  -3.516
   20   HG12  ILE   4          2HG1      ILE   4  -1.207   1.900  -6.005
   21   HG13  ILE   4          3HG1      ILE   4   0.097   2.235  -4.871
   22   HG21  ILE   4          1HG2      ILE   4  -2.510   4.646  -5.863
   23   HG22  ILE   4          2HG2      ILE   4  -2.878   2.958  -6.216
   24   HG23  ILE   4          3HG2      ILE   4  -3.743   3.799  -4.930
   25   HD11  ILE   4          1HD1      ILE   4  -2.257   0.827  -3.789
   26   HD12  ILE   4          2HD1      ILE   4  -1.243  -0.066  -4.922
   27   HD13  ILE   4          3HD1      ILE   4  -0.541   0.606  -3.451
   28    H    ILE   5           HN       ILE   5  -0.996   5.150  -1.718
   29    HA   ILE   5           HA       ILE   5  -3.234   6.898  -2.028
   30    HB   ILE   5           HB       ILE   5  -1.346   6.596   0.312
   31   HG12  ILE   5          2HG1      ILE   5  -4.047   5.347  -0.241
   32   HG13  ILE   5          3HG1      ILE   5  -2.500   4.507  -0.244
   33   HG21  ILE   5          1HG2      ILE   5  -4.068   7.883   0.143
   34   HG22  ILE   5          2HG2      ILE   5  -3.144   7.629   1.622
   35   HG23  ILE   5          3HG2      ILE   5  -2.532   8.716   0.377
   36   HD11  ILE   5          1HD1      ILE   5  -4.220   5.283   1.986
   37   HD12  ILE   5          2HD1      ILE   5  -3.035   3.982   1.857
   38   HD13  ILE   5          3HD1      ILE   5  -2.507   5.623   2.232
   39    H    AIB   6           HN       AIB   6   0.280   7.228  -1.794
   40   HB11  AIB   6          1HB1      AIB   6   2.476   9.574  -3.290
   41   HB12  AIB   6          2HB1      AIB   6   2.683   9.255  -1.516
   42   HB13  AIB   6          3HB1      AIB   6   2.150   7.919  -2.623
   43   HB21  AIB   6          1HB2      AIB   6   1.002  11.297  -1.205
   44   HB22  AIB   6          2HB2      AIB   6  -0.531  10.474  -0.690
   45   HB23  AIB   6          3HB2      AIB   6   1.073   9.856  -0.106
   46    HA   PRO   7           HA       PRO   7   0.066  11.085  -5.985
   47    HB2  PRO   7          2HB       PRO   7  -0.848   9.164  -7.670
   48    HB3  PRO   7          3HB       PRO   7   0.871   9.417  -7.343
   49    HG2  PRO   7          2HG       PRO   7  -1.000   7.389  -6.182
   50    HG3  PRO   7          3HG       PRO   7   0.669   7.179  -6.743
   51    HD2  PRO   7          2HD       PRO   7   0.034   7.434  -4.123
   52    HD3  PRO   7          3HD       PRO   7   1.563   8.033  -4.798
   53    H    LEU   8           HN       LEU   8  -2.234   8.600  -4.909
   54    HA   LEU   8           HA       LEU   8  -4.512   9.739  -6.130
   55    HB2  LEU   8          2HB       LEU   8  -4.152   7.841  -3.829
   56    HB3  LEU   8          3HB       LEU   8  -5.745   8.363  -4.373
   57    HG   LEU   8           HG       LEU   8  -3.723   6.810  -5.987
   58   HD11  LEU   8          1HD1      LEU   8  -6.408   6.003  -4.879
   59   HD12  LEU   8          2HD1      LEU   8  -4.843   5.509  -4.234
   60   HD13  LEU   8          3HD1      LEU   8  -5.330   5.000  -5.851
   61   HD21  LEU   8          1HD2      LEU   8  -4.762   7.763  -7.729
   62   HD22  LEU   8          2HD2      LEU   8  -6.104   8.340  -6.740
   63   HD23  LEU   8          3HD2      LEU   8  -6.092   6.676  -7.327
   64    H    LEU   9           HN       LEU   9  -2.680  10.714  -3.455
   65    HA   LEU   9           HA       LEU   9  -4.730  11.905  -1.884
   66    HB2  LEU   9          2HB       LEU   9  -2.543  11.338  -0.967
   67    HB3  LEU   9          3HB       LEU   9  -1.781  12.516  -2.034
   68    HG   LEU   9           HG       LEU   9  -3.817  13.756  -0.400
   69   HD11  LEU   9          1HD1      LEU   9  -3.479  12.292   1.349
   70   HD12  LEU   9          2HD1      LEU   9  -2.287  13.546   1.688
   71   HD13  LEU   9          3HD1      LEU   9  -1.783  12.030   0.943
   72   HD21  LEU   9          1HD2      LEU   9  -0.873  14.259  -0.243
   73   HD22  LEU   9          2HD2      LEU   9  -2.212  15.403  -0.146
   74   HD23  LEU   9          3HD2      LEU   9  -1.773  14.688  -1.698
   75    H    AIB  10           HN       AIB  10  -2.560  12.992  -4.478
   76   HB11  AIB  10          1HB1      AIB  10  -3.112  15.204  -7.165
   77   HB12  AIB  10          2HB1      AIB  10  -1.624  15.524  -6.178
   78   HB13  AIB  10          3HB1      AIB  10  -2.203  13.821  -6.422
   79   HB21  AIB  10          1HB2      AIB  10  -2.874  17.090  -4.812
   80   HB22  AIB  10          2HB2      AIB  10  -3.586  16.329  -3.327
   81   HB23  AIB  10          3HB2      AIB  10  -1.873  15.964  -3.802
   82    HA   PRO  11           HA       PRO  11  -7.009  15.409  -7.099
   83    HB2  PRO  11          2HB       PRO  11  -8.080  12.946  -7.496
   84    HB3  PRO  11          3HB       PRO  11  -6.885  13.661  -8.585
   85    HG2  PRO  11          2HG       PRO  11  -6.493  11.657  -6.396
   86    HG3  PRO  11          3HG       PRO  11  -5.792  11.686  -8.025
   87    HD2  PRO  11          2HD       PRO  11  -4.421  12.494  -5.834
   88    HD3  PRO  11          3HD       PRO  11  -4.172  13.216  -7.437
   89    H    DCL  12           HN       DCL  12  -6.668  12.846  -4.649
   90    HA   DCL  12           HA       DCL  12  -9.334  13.762  -3.384
   91    HC1  DCL  12          2HB1      DCL  12  -6.859  12.873  -1.760
   92    HC2  DCL  12          3HB1      DCL  12  -7.152  14.609  -2.199
   93    HB1  DCL  12          2HB       DCL  12  -8.281  11.144  -4.038
   94    HB2  DCL  12          3HB       DCL  12  -8.318  11.288  -2.229
   95    HG   DCL  12           HG       DCL  12 -10.436  10.353  -3.051
   96   HD11  DCL  12          1HD1      DCL  12 -11.369  12.876  -4.374
   97   HD12  DCL  12          2HD1      DCL  12  -9.997  12.072  -5.250
   98   HD13  DCL  12          3HD1      DCL  12 -11.529  11.154  -4.922
   99   HD21  DCL  12          1HD2      DCL  12 -10.299  12.190  -1.155
  100   HD22  DCL  12          2HD2      DCL  12 -11.131  13.247  -2.373
  101   HD23  DCL  12          3HD2      DCL  12 -11.915  11.705  -1.822
  102    HO   DCL  12          4H1       DCL  12  -8.649  14.629  -0.483
  Start of MODEL   18
    1    H1   ACE   1          1H1       ACE   1   2.914   1.725   3.211
    2    H2   ACE   1          2H1       ACE   1   1.848   2.000   4.610
    3    H3   ACE   1          3H1       ACE   1   1.957   0.381   3.880
    4    H    AIB   2           HN       AIB   2   2.208   2.863   1.624
    5   HB11  AIB   2          1HB1      AIB   2  -1.746   3.167   1.618
    6   HB12  AIB   2          2HB1      AIB   2  -0.485   4.286   2.289
    7   HB13  AIB   2          3HB1      AIB   2  -1.240   4.631   0.675
    8   HB21  AIB   2          1HB2      AIB   2  -0.788   2.045  -1.001
    9   HB22  AIB   2          2HB2      AIB   2   0.329   0.971  -0.059
   10   HB23  AIB   2          3HB2      AIB   2  -1.286   1.428   0.630
   11    H    ASN   3           HN       ASN   3   1.495   2.305  -1.476
   12    HA   ASN   3           HA       ASN   3   2.631   4.906  -1.969
   13    HB2  ASN   3          2HB       ASN   3   2.855   2.201  -3.217
   14    HB3  ASN   3          3HB       ASN   3   3.335   3.604  -4.167
   15   HD21  ASN   3          1HD2      ASN   3   3.854   1.987  -1.076
   16   HD22  ASN   3          2HD2      ASN   3   5.493   2.497  -0.882
   17    H    ILE   4           HN       ILE   4  -0.203   3.225  -2.889
   18    HA   ILE   4           HA       ILE   4  -0.636   4.667  -5.348
   19    HB   ILE   4           HB       ILE   4  -2.644   3.058  -3.771
   20   HG12  ILE   4          2HG1      ILE   4  -1.915   1.440  -5.818
   21   HG13  ILE   4          3HG1      ILE   4  -0.383   2.247  -5.500
   22   HG21  ILE   4          1HG2      ILE   4  -2.988   2.970  -6.601
   23   HG22  ILE   4          2HG2      ILE   4  -4.085   3.593  -5.369
   24   HG23  ILE   4          3HG2      ILE   4  -2.873   4.653  -6.087
   25   HD11  ILE   4          1HD1      ILE   4  -0.035   1.038  -3.676
   26   HD12  ILE   4          2HD1      ILE   4  -1.659   1.354  -3.063
   27   HD13  ILE   4          3HD1      ILE   4  -1.385   0.032  -4.199
   28    H    ILE   5           HN       ILE   5  -1.428   5.056  -1.990
   29    HA   ILE   5           HA       ILE   5  -3.557   6.919  -2.348
   30    HB   ILE   5           HB       ILE   5  -1.789   6.442   0.053
   31   HG12  ILE   5          2HG1      ILE   5  -3.085   4.467  -0.611
   32   HG13  ILE   5          3HG1      ILE   5  -3.690   5.136   0.901
   33   HG21  ILE   5          1HG2      ILE   5  -2.687   8.333   0.824
   34   HG22  ILE   5          2HG2      ILE   5  -3.868   8.403  -0.483
   35   HG23  ILE   5          3HG2      ILE   5  -4.196   7.430   0.950
   36   HD11  ILE   5          1HD1      ILE   5  -5.714   5.238   0.030
   37   HD12  ILE   5          2HD1      ILE   5  -5.129   6.344  -1.213
   38   HD13  ILE   5          3HD1      ILE   5  -5.099   4.603  -1.496
   39    H    AIB   6           HN       AIB   6  -0.046   7.080  -1.997
   40   HB11  AIB   6          1HB1      AIB   6   2.226   9.228  -3.480
   41   HB12  AIB   6          2HB1      AIB   6   2.486   9.143  -1.686
   42   HB13  AIB   6          3HB1      AIB   6   1.892   7.684  -2.589
   43   HB21  AIB   6          1HB2      AIB   6   1.130  10.899  -1.100
   44   HB22  AIB   6          2HB2      AIB   6  -0.655  10.602  -0.983
   45   HB23  AIB   6          3HB2      AIB   6   0.507   9.489  -0.143
   46    HA   PRO   7           HA       PRO   7   0.009  11.118  -6.035
   47    HB2  PRO   7          2HB       PRO   7  -0.935   9.309  -7.827
   48    HB3  PRO   7          3HB       PRO   7   0.784   9.481  -7.449
   49    HG2  PRO   7          2HG       PRO   7  -1.190   7.477  -6.424
   50    HG3  PRO   7          3HG       PRO   7   0.483   7.228  -6.955
   51    HD2  PRO   7          2HD       PRO   7  -0.206   7.392  -4.342
   52    HD3  PRO   7          3HD       PRO   7   1.361   7.960  -4.953
   53    H    LEU   8           HN       LEU   8  -2.408   8.684  -5.112
   54    HA   LEU   8           HA       LEU   8  -4.613   9.945  -6.340
   55    HB2  LEU   8          2HB       LEU   8  -4.431   8.013  -4.039
   56    HB3  LEU   8          3HB       LEU   8  -5.958   8.552  -4.734
   57    HG   LEU   8           HG       LEU   8  -3.825   7.099  -6.293
   58   HD11  LEU   8          1HD1      LEU   8  -5.244   5.121  -6.078
   59   HD12  LEU   8          2HD1      LEU   8  -6.316   6.006  -4.993
   60   HD13  LEU   8          3HD1      LEU   8  -4.655   5.667  -4.507
   61   HD21  LEU   8          1HD2      LEU   8  -6.165   6.650  -7.553
   62   HD22  LEU   8          2HD2      LEU   8  -5.070   7.973  -7.956
   63   HD23  LEU   8          3HD2      LEU   8  -6.460   8.265  -6.909
   64    H    LEU   9           HN       LEU   9  -2.809  10.765  -3.592
   65    HA   LEU   9           HA       LEU   9  -4.850  11.992  -2.037
   66    HB2  LEU   9          2HB       LEU   9  -2.717  11.311  -1.077
   67    HB3  LEU   9          3HB       LEU   9  -1.875  12.477  -2.096
   68    HG   LEU   9           HG       LEU   9  -3.355  14.225  -0.856
   69   HD11  LEU   9          1HD1      LEU   9  -4.229  13.670   1.202
   70   HD12  LEU   9          2HD1      LEU   9  -3.229  12.227   1.358
   71   HD13  LEU   9          3HD1      LEU   9  -4.603  12.231   0.254
   72   HD21  LEU   9          1HD2      LEU   9  -0.786  13.503  -0.658
   73   HD22  LEU   9          2HD2      LEU   9  -1.322  13.101   0.974
   74   HD23  LEU   9          3HD2      LEU   9  -1.517  14.744   0.360
   75    H    AIB  10           HN       AIB  10  -2.576  13.064  -4.546
   76   HB11  AIB  10          1HB1      AIB  10  -2.964  15.408  -7.169
   77   HB12  AIB  10          2HB1      AIB  10  -1.481  15.572  -6.136
   78   HB13  AIB  10          3HB1      AIB  10  -2.173  13.929  -6.477
   79   HB21  AIB  10          1HB2      AIB  10  -3.512  16.443  -3.347
   80   HB22  AIB  10          2HB2      AIB  10  -1.804  15.958  -3.720
   81   HB23  AIB  10          3HB2      AIB  10  -2.657  17.165  -4.775
   82    HA   PRO  11           HA       PRO  11  -6.862  15.749  -7.181
   83    HB2  PRO  11          2HB       PRO  11  -8.028  13.348  -7.675
   84    HB3  PRO  11          3HB       PRO  11  -6.781  14.043  -8.718
   85    HG2  PRO  11          2HG       PRO  11  -6.521  11.959  -6.585
   86    HG3  PRO  11          3HG       PRO  11  -5.786  12.007  -8.198
   87    HD2  PRO  11          2HD       PRO  11  -4.428  12.688  -5.956
   88    HD3  PRO  11          3HD       PRO  11  -4.115  13.447  -7.530
   89    H    DCL  12           HN       DCL  12  -6.346  13.683  -4.454
   90    HA   DCL  12           HA       DCL  12  -9.260  13.983  -3.517
   91    HC1  DCL  12          2HB1      DCL  12  -7.353  14.429  -1.295
   92    HC2  DCL  12          3HB1      DCL  12  -7.114  15.659  -2.608
   93    HB1  DCL  12          2HB       DCL  12  -7.875  11.731  -3.491
   94    HB2  DCL  12          3HB       DCL  12  -7.055  12.451  -2.041
   95    HG   DCL  12           HG       DCL  12  -9.520  12.898  -1.200
   96   HD11  DCL  12          1HD1      DCL  12  -9.440  10.768  -0.015
   97   HD12  DCL  12          2HD1      DCL  12  -8.558   9.966  -1.383
   98   HD13  DCL  12          3HD1      DCL  12  -7.714  11.210  -0.364
   99   HD21  DCL  12          1HD2      DCL  12  -9.986  11.359  -3.665
  100   HD22  DCL  12          2HD2      DCL  12 -10.631  10.484  -2.211
  101   HD23  DCL  12          3HD2      DCL  12 -11.170  12.182  -2.564
  102    HO   DCL  12          4H1       DCL  12  -9.056  16.591  -1.874
  Start of MODEL   19
    1    H1   ACE   1          1H1       ACE   1  -1.874  -0.364   0.981
    2    H2   ACE   1          2H1       ACE   1  -0.522  -0.232  -0.170
    3    H3   ACE   1          3H1       ACE   1  -0.301  -1.105   1.366
    4    H    AIB   2           HN       AIB   2   0.292   1.649  -0.316
    5   HB11  AIB   2          1HB1      AIB   2   1.300   2.664   3.193
    6   HB12  AIB   2          2HB1      AIB   2   2.493   2.235   1.895
    7   HB13  AIB   2          3HB1      AIB   2   2.323   3.959   2.439
    8   HB21  AIB   2          1HB2      AIB   2  -0.122   4.501   2.747
    9   HB22  AIB   2          2HB2      AIB   2  -0.797   4.803   1.091
   10   HB23  AIB   2          3HB2      AIB   2  -1.298   3.327   2.021
   11    H    ASN   3           HN       ASN   3   1.888   2.430  -0.991
   12    HA   ASN   3           HA       ASN   3   2.956   5.012  -1.689
   13    HB2  ASN   3          2HB       ASN   3   3.945   2.607  -2.115
   14    HB3  ASN   3          3HB       ASN   3   2.972   2.692  -3.580
   15   HD21  ASN   3          1HD2      ASN   3   3.452   4.265  -5.137
   16   HD22  ASN   3          2HD2      ASN   3   4.995   5.040  -5.189
   17    H    ILE   4           HN       ILE   4   0.097   3.256  -2.350
   18    HA   ILE   4           HA       ILE   4  -0.495   4.547  -4.857
   19    HB   ILE   4           HB       ILE   4  -2.287   2.935  -3.036
   20   HG12  ILE   4          2HG1      ILE   4  -0.851   2.132  -5.576
   21   HG13  ILE   4          3HG1      ILE   4  -0.345   1.688  -3.949
   22   HG21  ILE   4          1HG2      ILE   4  -3.231   2.796  -5.647
   23   HG22  ILE   4          2HG2      ILE   4  -3.950   3.687  -4.307
   24   HG23  ILE   4          3HG2      ILE   4  -2.831   4.496  -5.403
   25   HD11  ILE   4          1HD1      ILE   4  -2.318   0.475  -5.663
   26   HD12  ILE   4          2HD1      ILE   4  -1.570  -0.139  -4.188
   27   HD13  ILE   4          3HD1      ILE   4  -2.997   0.893  -4.091
   28    H    ILE   5           HN       ILE   5  -1.123   5.116  -1.483
   29    HA   ILE   5           HA       ILE   5  -3.265   6.964  -1.845
   30    HB   ILE   5           HB       ILE   5  -1.398   6.606   0.501
   31   HG12  ILE   5          2HG1      ILE   5  -2.700   4.597   0.018
   32   HG13  ILE   5          3HG1      ILE   5  -3.284   5.361   1.492
   33   HG21  ILE   5          1HG2      ILE   5  -3.854   8.275   0.109
   34   HG22  ILE   5          2HG2      ILE   5  -3.391   7.698   1.709
   35   HG23  ILE   5          3HG2      ILE   5  -2.295   8.734   0.794
   36   HD11  ILE   5          1HD1      ILE   5  -5.182   4.675   0.272
   37   HD12  ILE   5          2HD1      ILE   5  -5.077   6.427   0.092
   38   HD13  ILE   5          3HD1      ILE   5  -4.561   5.373  -1.223
   39    H    AIB   6           HN       AIB   6   0.255   7.126  -1.682
   40   HB11  AIB   6          1HB1      AIB   6   2.166   7.694  -2.373
   41   HB12  AIB   6          2HB1      AIB   6   2.434   9.169  -3.396
   42   HB13  AIB   6          3HB1      AIB   6   2.813   9.213  -1.621
   43   HB21  AIB   6          1HB2      AIB   6  -0.304  10.637  -0.745
   44   HB22  AIB   6          2HB2      AIB   6   0.987   9.621   0.023
   45   HB23  AIB   6          3HB2      AIB   6   1.444  11.014  -1.047
   46    HA   PRO   7           HA       PRO   7   0.094  10.992  -5.884
   47    HB2  PRO   7          2HB       PRO   7  -0.954   9.116  -7.543
   48    HB3  PRO   7          3HB       PRO   7   0.784   9.294  -7.270
   49    HG2  PRO   7          2HG       PRO   7  -1.135   7.345  -6.052
   50    HG3  PRO   7          3HG       PRO   7   0.505   7.066  -6.666
   51    HD2  PRO   7          2HD       PRO   7  -0.035   7.341  -4.027
   52    HD3  PRO   7          3HD       PRO   7   1.496   7.875  -4.749
   53    H    LEU   8           HN       LEU   8  -2.274   8.607  -4.735
   54    HA   LEU   8           HA       LEU   8  -4.541   9.832  -5.885
   55    HB2  LEU   8          2HB       LEU   8  -4.230   7.984  -3.531
   56    HB3  LEU   8          3HB       LEU   8  -5.796   8.511  -4.145
   57    HG   LEU   8           HG       LEU   8  -3.762   6.938  -5.725
   58   HD11  LEU   8          1HD1      LEU   8  -4.668   5.620  -3.886
   59   HD12  LEU   8          2HD1      LEU   8  -5.286   5.052  -5.437
   60   HD13  LEU   8          3HD1      LEU   8  -6.309   6.032  -4.387
   61   HD21  LEU   8          1HD2      LEU   8  -5.119   8.247  -7.188
   62   HD22  LEU   8          2HD2      LEU   8  -6.586   7.813  -6.310
   63   HD23  LEU   8          3HD2      LEU   8  -5.720   6.590  -7.240
   64    H    LEU   9           HN       LEU   9  -2.583  10.752  -3.280
   65    HA   LEU   9           HA       LEU   9  -4.529  12.045  -1.658
   66    HB2  LEU   9          2HB       LEU   9  -2.335  11.391  -0.810
   67    HB3  LEU   9          3HB       LEU   9  -1.564  12.535  -1.907
   68    HG   LEU   9           HG       LEU   9  -1.829  13.165   0.580
   69   HD11  LEU   9          1HD1      LEU   9  -2.879  15.480  -0.679
   70   HD12  LEU   9          2HD1      LEU   9  -1.823  14.660  -1.828
   71   HD13  LEU   9          3HD1      LEU   9  -1.208  15.125  -0.242
   72   HD21  LEU   9          1HD2      LEU   9  -3.862  13.922   1.356
   73   HD22  LEU   9          2HD2      LEU   9  -4.348  12.527   0.393
   74   HD23  LEU   9          3HD2      LEU   9  -4.516  14.155  -0.265
   75    H    AIB  10           HN       AIB  10  -2.402  13.012  -4.334
   76   HB11  AIB  10          1HB1      AIB  10  -2.911  15.308  -7.011
   77   HB12  AIB  10          2HB1      AIB  10  -1.371  15.405  -6.057
   78   HB13  AIB  10          3HB1      AIB  10  -2.159  13.796  -6.349
   79   HB21  AIB  10          1HB2      AIB  10  -3.300  16.482  -3.258
   80   HB22  AIB  10          2HB2      AIB  10  -1.614  15.912  -3.612
   81   HB23  AIB  10          3HB2      AIB  10  -2.432  17.081  -4.733
   82    HA   PRO  11           HA       PRO  11  -6.829  15.602  -6.826
   83    HB2  PRO  11          2HB       PRO  11  -8.021  13.186  -7.159
   84    HB3  PRO  11          3HB       PRO  11  -6.835  13.837  -8.297
   85    HG2  PRO  11          2HG       PRO  11  -6.455  11.837  -6.102
   86    HG3  PRO  11          3HG       PRO  11  -5.812  11.820  -7.754
   87    HD2  PRO  11          2HD       PRO  11  -4.330  12.585  -5.621
   88    HD3  PRO  11          3HD       PRO  11  -4.106  13.281  -7.239
   89    H    DCL  12           HN       DCL  12  -6.602  12.958  -4.434
   90    HA   DCL  12           HA       DCL  12  -9.016  14.195  -2.949
   91    HC1  DCL  12          2HB1      DCL  12  -7.845  13.079  -0.870
   92    HC2  DCL  12          3HB1      DCL  12  -6.377  12.957  -1.930
   93    HB1  DCL  12          2HB       DCL  12  -8.211  11.295  -3.496
   94    HB2  DCL  12          3HB       DCL  12  -9.148  11.713  -1.999
   95    HG   DCL  12           HG       DCL  12 -10.425  13.097  -4.152
   96   HD11  DCL  12          1HD1      DCL  12 -11.214  11.805  -1.947
   97   HD12  DCL  12          2HD1      DCL  12 -12.321  11.862  -3.385
   98   HD13  DCL  12          3HD1      DCL  12 -11.335  10.373  -3.056
   99   HD21  DCL  12          1HD2      DCL  12 -10.883  11.489  -5.842
  100   HD22  DCL  12          2HD2      DCL  12  -9.089  11.381  -5.590
  101   HD23  DCL  12          3HD2      DCL  12 -10.186  10.128  -4.866
  102    HO   DCL  12          4H1       DCL  12  -6.069  15.170  -1.495
  Start of MODEL   20
    1    H1   ACE   1          1H1       ACE   1   1.851   2.392   4.396
    2    H2   ACE   1          2H1       ACE   1   1.242   0.724   4.518
    3    H3   ACE   1          3H1       ACE   1   2.468   1.137   3.294
    4    H    AIB   2           HN       AIB   2   1.917   2.886   1.777
    5   HB11  AIB   2          1HB1      AIB   2  -2.027   3.160   1.610
    6   HB12  AIB   2          2HB1      AIB   2  -0.807   4.316   2.295
    7   HB13  AIB   2          3HB1      AIB   2  -1.512   4.609   0.648
    8   HB21  AIB   2          1HB2      AIB   2   0.119   0.956   0.058
    9   HB22  AIB   2          2HB2      AIB   2  -1.536   1.436   0.623
   10   HB23  AIB   2          3HB2      AIB   2  -0.921   2.017  -0.983
   11    H    ASN   3           HN       ASN   3   1.349   2.296  -1.345
   12    HA   ASN   3           HA       ASN   3   2.492   4.898  -1.811
   13    HB2  ASN   3          2HB       ASN   3   3.276   2.315  -2.384
   14    HB3  ASN   3          3HB       ASN   3   2.795   2.934  -3.961
   15   HD21  ASN   3          1HD2      ASN   3   5.389   2.428  -2.221
   16   HD22  ASN   3          2HD2      ASN   3   6.374   3.775  -2.667
   17    H    ILE   4           HN       ILE   4  -0.294   3.200  -2.837
   18    HA   ILE   4           HA       ILE   4  -0.624   4.621  -5.324
   19    HB   ILE   4           HB       ILE   4  -2.689   3.009  -3.825
   20   HG12  ILE   4          2HG1      ILE   4  -1.880   1.371  -5.811
   21   HG13  ILE   4          3HG1      ILE   4  -0.365   2.205  -5.482
   22   HG21  ILE   4          1HG2      ILE   4  -2.898   2.920  -6.676
   23   HG22  ILE   4          2HG2      ILE   4  -4.067   3.504  -5.492
   24   HG23  ILE   4          3HG2      ILE   4  -2.847   4.600  -6.141
   25   HD11  ILE   4          1HD1      ILE   4  -1.489   0.035  -4.102
   26   HD12  ILE   4          2HD1      ILE   4  -0.018   0.928  -3.716
   27   HD13  ILE   4          3HD1      ILE   4  -1.559   1.421  -3.014
   28    H    ILE   5           HN       ILE   5  -1.610   4.998  -2.008
   29    HA   ILE   5           HA       ILE   5  -3.706   6.871  -2.490
   30    HB   ILE   5           HB       ILE   5  -2.097   6.408   0.024
   31   HG12  ILE   5          2HG1      ILE   5  -4.773   5.303  -0.859
   32   HG13  ILE   5          3HG1      ILE   5  -3.272   4.393  -0.722
   33   HG21  ILE   5          1HG2      ILE   5  -3.959   8.437  -0.628
   34   HG22  ILE   5          2HG2      ILE   5  -4.736   7.345   0.517
   35   HG23  ILE   5          3HG2      ILE   5  -3.200   8.106   0.929
   36   HD11  ILE   5          1HD1      ILE   5  -3.483   5.407   1.774
   37   HD12  ILE   5          2HD1      ILE   5  -5.181   5.210   1.342
   38   HD13  ILE   5          3HD1      ILE   5  -4.089   3.827   1.280
   39    H    AIB   6           HN       AIB   6  -0.224   7.015  -1.929
   40   HB11  AIB   6          1HB1      AIB   6   1.751   7.615  -2.356
   41   HB12  AIB   6          2HB1      AIB   6   2.115   9.125  -3.293
   42   HB13  AIB   6          3HB1      AIB   6   2.309   9.107  -1.489
   43   HB21  AIB   6          1HB2      AIB   6  -0.883  10.495  -0.884
   44   HB22  AIB   6          2HB2      AIB   6   0.278   9.402  -0.020
   45   HB23  AIB   6          3HB2      AIB   6   0.896  10.838  -0.941
   46    HA   PRO   7           HA       PRO   7   0.062  11.111  -5.904
   47    HB2  PRO   7          2HB       PRO   7  -0.791   9.333  -7.770
   48    HB3  PRO   7          3HB       PRO   7   0.905   9.492  -7.299
   49    HG2  PRO   7          2HG       PRO   7  -1.127   7.482  -6.410
   50    HG3  PRO   7          3HG       PRO   7   0.571   7.234  -6.856
   51    HD2  PRO   7          2HD       PRO   7  -0.256   7.361  -4.281
   52    HD3  PRO   7          3HD       PRO   7   1.344   7.932  -4.799
   53    H    LEU   8           HN       LEU   8  -2.408   8.674  -5.147
   54    HA   LEU   8           HA       LEU   8  -4.542   9.958  -6.473
   55    HB2  LEU   8          2HB       LEU   8  -4.503   8.010  -4.177
   56    HB3  LEU   8          3HB       LEU   8  -5.978   8.548  -4.977
   57    HG   LEU   8           HG       LEU   8  -3.740   7.124  -6.407
   58   HD11  LEU   8          1HD1      LEU   8  -5.133   5.116  -6.263
   59   HD12  LEU   8          2HD1      LEU   8  -6.261   5.977  -5.216
   60   HD13  LEU   8          3HD1      LEU   8  -4.614   5.667  -4.669
   61   HD21  LEU   8          1HD2      LEU   8  -5.955   6.614  -7.811
   62   HD22  LEU   8          2HD2      LEU   8  -4.938   8.025  -8.106
   63   HD23  LEU   8          3HD2      LEU   8  -6.405   8.181  -7.138
   64    H    LEU   9           HN       LEU   9  -2.884  10.738  -3.622
   65    HA   LEU   9           HA       LEU   9  -5.000  11.956  -2.164
   66    HB2  LEU   9          2HB       LEU   9  -2.927  11.254  -1.098
   67    HB3  LEU   9          3HB       LEU   9  -2.024  12.425  -2.057
   68    HG   LEU   9           HG       LEU   9  -3.813  14.041  -0.799
   69   HD11  LEU   9          1HD1      LEU   9  -2.967  12.355   1.471
   70   HD12  LEU   9          2HD1      LEU   9  -4.306  11.749   0.498
   71   HD13  LEU   9          3HD1      LEU   9  -4.417  13.336   1.259
   72   HD21  LEU   9          1HD2      LEU   9  -1.794  14.930  -0.499
   73   HD22  LEU   9          2HD2      LEU   9  -1.005  13.354  -0.572
   74   HD23  LEU   9          3HD2      LEU   9  -1.674  13.936   0.953
   75    H    AIB  10           HN       AIB  10  -2.591  13.045  -4.536
   76   HB11  AIB  10          1HB1      AIB  10  -2.863  15.331  -7.166
   77   HB12  AIB  10          2HB1      AIB  10  -1.445  15.643  -6.078
   78   HB13  AIB  10          3HB1      AIB  10  -2.006  13.942  -6.374
   79   HB21  AIB  10          1HB2      AIB  10  -3.568  16.413  -3.345
   80   HB22  AIB  10          2HB2      AIB  10  -1.845  15.927  -3.641
   81   HB23  AIB  10          3HB2      AIB  10  -2.642  17.150  -4.719
   82    HA   PRO  11           HA       PRO  11  -6.719  15.787  -7.359
   83    HB2  PRO  11          2HB       PRO  11  -7.871  13.399  -7.943
   84    HB3  PRO  11          3HB       PRO  11  -6.567  14.099  -8.910
   85    HG2  PRO  11          2HG       PRO  11  -6.431  11.988  -6.792
   86    HG3  PRO  11          3HG       PRO  11  -5.612  12.051  -8.364
   87    HD2  PRO  11          2HD       PRO  11  -4.369  12.696  -6.046
   88    HD3  PRO  11          3HD       PRO  11  -3.970  13.472  -7.592
   89    H    DCL  12           HN       DCL  12  -6.456  13.453  -4.756
   90    HA   DCL  12           HA       DCL  12  -9.374  13.624  -3.970
   91    HC1  DCL  12          2HB1      DCL  12  -8.934  14.779  -1.788
   92    HC2  DCL  12          3HB1      DCL  12  -7.185  14.975  -2.232
   93    HB1  DCL  12          2HB       DCL  12  -7.941  11.568  -3.589
   94    HB2  DCL  12          3HB       DCL  12  -6.960  12.521  -2.397
   95    HG   DCL  12           HG       DCL  12  -9.749  12.861  -1.723
   96   HD11  DCL  12          1HD1      DCL  12  -8.980  11.997   0.418
   97   HD12  DCL  12          2HD1      DCL  12  -7.668  11.021  -0.369
   98   HD13  DCL  12          3HD1      DCL  12  -7.545  12.832  -0.313
   99   HD21  DCL  12          1HD2      DCL  12  -9.972  10.677  -3.091
  100   HD22  DCL  12          2HD2      DCL  12  -8.970   9.894  -1.797
  101   HD23  DCL  12          3HD2      DCL  12 -10.571  10.640  -1.379
  102    HO   DCL  12          4H1       DCL  12  -7.843  16.827  -3.379